#DEFINITION	Reference Metabolome for Tamarindus indica
#IDENTTFIER	RefMeta-Tamarindus indica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Tamarindus indica
#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 Tamarindus indica was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	9.2
71.50813	3.6
82.72224	1.6
85.02953	3.6
87.00884	1.9
89.02442	8.4
101.02445	7.2
113.02475	4.5
116.92879	14.3
125.02473	3.0
143.03430	2.3
147.98445	1.6
167.67226	1.5
171.10347	10.6
174.69424	1.7
176.38109	1.5
185.43457	1.7
209.11830	2.3
211.13403	5.3
218.38243	1.7
220.18498	1.6
229.14474	4.8
235.08195	2.9
255.23344	17.4
305.08698	2.4
309.20755	3.7
327.21756	100.0
328.22189	3.1
351.22678	1.6
397.13501	55.7
415.14661	14.4
467.12033	2.0
565.44873	4.1
653.37469	17.8
707.34930	17.6
708.35931	1.8
725.36084	6.0
945.51508	4.7
963.58899	20.6
999.56732	32.6
1000.56189	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	998.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45399	100.0
114.50562	27.4
171.34332	33.3
211.73993	32.0
273.53473	30.5
330.06955	31.9
370.07419	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	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80557	100.0
98.19935	18.2
109.70390	18.3
121.56482	21.6
252.55919	21.9
255.19821	19.2
348.41687	21.4
462.22684	24.6
536.66400	20.7
811.28192	21.0
813.37518	24.6
844.24866	18.6
946.98090	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	995.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03475	1.0
71.01388	2.5
71.73561	0.9
75.86819	0.8
81.03483	1.3
83.01377	2.2
87.00866	1.4
88.98793	1.0
89.02445	1.5
89.77076	1.0
93.03457	2.2
95.05047	5.7
96.96004	4.2
97.02943	3.4
98.19910	4.1
101.02419	2.2
105.03451	1.2
108.02206	2.3
109.02959	13.1
113.02452	1.0
115.00352	1.4
115.03397	0.9
117.03432	1.1
121.02933	4.6
122.03706	1.2
123.04529	26.3
125.02444	3.8
133.06598	1.0
135.04529	2.2
136.65140	0.9
137.02406	4.7
139.03989	3.7
145.02908	2.3
146.03705	1.7
149.02464	2.2
150.03185	1.8
151.04024	6.6
159.04445	1.4
161.02417	2.6
161.06055	2.5
162.03194	2.0
163.00424	1.2
163.04018	3.3
164.01157	7.5
165.01920	7.5
174.03166	1.7
175.02509	1.8
175.03877	1.9
176.00981	1.1
176.04793	1.1
177.05547	1.2
179.03546	1.3
187.04039	1.5
188.04614	1.2
203.07129	1.3
203.14474	1.1
205.05057	2.0
205.12431	1.1
214.02646	1.3
235.17036	1.3
245.15402	3.2
259.16962	1.2
273.11316	1.4
273.14981	1.1
277.21786	7.4
285.11426	1.6
285.14990	2.4
287.12921	2.2
287.16483	1.5
289.14496	1.3
291.12387	3.5
301.14520	2.5
303.12585	2.0
303.15897	2.5
313.11169	1.0
313.14453	3.8
317.13873	4.1
329.13828	5.0
331.11856	1.0
331.15442	18.9
335.15042	4.7
339.12405	1.2
347.14890	2.9
357.13422	16.6
371.14960	3.1
374.13586	1.3
375.14536	12.5
397.13483	1.0
411.93030	1.2
463.17328	4.4
481.18613	20.3
482.18793	2.8
499.19980	7.3
511.15909	1.0
717.27808	2.0
735.28741	25.2
736.28973	2.9
843.45776	3.0
845.47485	1.5
865.92859	1.2
871.45441	2.4
995.50128	100.0
996.50446	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	995.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	1.1
71.01389	3.8
72.61984	0.8
75.12732	0.8
78.95901	0.9
83.01389	3.5
83.88213	0.7
89.02436	1.1
93.03455	3.0
95.01368	1.0
95.05032	5.4
97.02949	2.9
98.19868	1.9
101.02447	2.7
108.02169	2.7
109.02251	1.1
109.02962	16.1
113.02461	0.9
116.92803	0.8
117.03491	1.1
121.02975	5.9
122.03735	2.4
123.00886	1.1
123.04532	28.7
125.02428	4.2
125.22465	0.8
133.06540	0.9
135.04512	3.8
137.02448	5.2
139.04034	1.6
145.02957	3.1
146.03755	1.4
147.04509	0.9
149.02446	5.6
150.03215	2.3
151.04013	7.2
159.04568	1.4
161.02420	1.5
161.06097	1.5
163.00395	1.9
163.04007	3.8
164.01157	6.8
165.01944	8.2
174.03181	1.0
175.02435	1.1
175.03958	1.9
176.01152	1.3
176.04741	2.1
187.04005	1.4
187.11319	0.9
188.04836	0.9
189.01949	1.0
190.02748	0.9
191.03409	0.9
201.05681	0.9
203.07094	1.2
203.14304	1.4
205.05034	1.7
207.13948	1.2
214.02686	1.1
217.15837	0.8
231.13647	1.0
241.16092	0.9
243.13948	1.0
245.15437	3.0
249.14998	1.2
257.15329	1.2
259.17139	2.0
261.15118	1.0
269.15515	1.2
273.11310	3.0
273.14932	1.9
275.13016	0.8
277.21790	10.8
278.22180	1.0
285.11444	2.2
285.14905	2.6
287.12872	2.9
287.16531	1.9
289.14331	1.5
291.12454	4.2
301.14441	3.1
303.12524	1.9
303.16013	2.3
307.19272	1.4
313.10706	2.4
313.14554	2.7
317.14059	4.2
324.65924	0.9
329.13989	7.0
331.11890	1.4
331.15466	19.0
332.15945	1.5
335.15094	1.6
347.15051	1.1
357.13409	16.8
371.14844	1.4
374.13635	1.5
375.14438	9.0
389.16336	1.7
393.17056	1.3
419.18677	1.2
437.16010	1.4
455.16992	1.1
463.17752	4.4
481.18680	39.9
482.19006	2.9
499.19412	5.0
512.06049	0.8
611.23395	1.4
717.26984	1.4
735.28662	17.2
736.29285	2.1
843.45532	2.9
871.44568	3.0
995.50159	100.0
996.50311	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	995.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34634	3.7
71.01374	2.5
77.03990	0.6
79.01878	0.5
89.02468	1.2
93.03472	0.9
94.13161	0.4
98.90019	0.5
117.03459	10.0
121.02940	1.1
123.04595	0.5
124.60236	0.4
131.01384	1.5
135.04550	0.7
159.04535	0.7
161.02455	2.6
162.89490	0.4
163.03976	1.8
165.01884	0.7
173.02437	5.0
175.00354	7.1
193.01465	0.6
196.05318	0.5
210.94893	0.4
211.07761	0.5
225.05594	0.5
237.05489	0.4
239.07083	0.8
249.05559	1.4
265.05060	0.7
268.03876	1.0
269.04532	3.4
281.04480	3.6
282.05441	2.1
283.06113	19.5
284.06448	1.1
293.04559	100.0
294.04892	5.6
295.06036	2.1
297.03882	0.5
311.05612	32.1
312.05902	2.1
314.04382	1.6
323.05685	3.8
324.05875	0.7
335.05746	0.6
341.06595	7.2
342.06741	0.6
353.06503	0.6
379.84741	0.5
413.08780	37.5
414.08905	3.3
431.09827	32.0
432.10123	2.3
443.09573	1.1
563.14069	73.2
564.14294	6.5
615.72858	0.6
790.33527	0.5
939.56366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02981	4.9
71.01368	3.0
71.09109	0.7
72.04542	5.5
73.88734	0.7
74.02092	1.1
74.02477	16.6
79.33595	0.8
84.04530	1.3
85.02949	1.1
86.02479	1.6
87.00840	0.9
88.98835	3.7
88.99345	0.8
89.02421	1.8
91.40852	0.7
92.92795	1.9
94.98074	1.2
96.99911	4.5
97.04088	3.8
98.02473	1.5
98.06117	1.0
99.05656	7.9
99.92572	0.9
101.02435	1.4
110.00703	3.1
112.04033	1.5
116.92851	3.5
117.92844	1.3
119.14992	0.8
123.01498	2.8
123.05640	1.6
125.03622	1.8
134.37656	0.7
136.02318	0.8
141.06697	27.9
143.04626	5.8
150.39481	0.7
160.78462	0.6
165.02544	0.8
175.02502	1.6
183.90205	0.9
185.05673	7.1
193.06320	0.8
194.10068	2.1
222.09644	4.8
222.13211	1.1
229.43088	1.0
230.15512	0.9
239.09872	0.9
240.10652	11.0
249.14250	1.1
264.14240	1.3
265.14523	0.9
266.12173	6.0
277.21689	8.0
278.22256	0.8
290.12360	1.9
304.85394	0.8
308.13245	15.3
309.13553	1.6
310.38724	0.8
346.19699	1.0
367.76941	0.7
390.18353	1.0
408.19501	2.3
426.38873	0.7
473.55521	0.8
662.69019	0.8
718.73297	0.9
948.48615	5.5
974.46417	4.9
992.47925	100.0
993.48328	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	992.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13245	49.1
71.13589	30.1
75.02235	23.4
133.60545	21.9
183.01216	32.7
227.51714	23.2
290.44827	25.2
325.18417	100.0
344.88858	26.0
512.76288	25.8
750.73877	24.6
866.32202	28.9
983.28180	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	992.48
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03000	4.0
70.17671	2.9
71.01381	3.1
72.00891	0.9
72.04530	3.9
74.02477	13.6
87.00857	1.3
88.98795	2.8
89.02420	0.9
92.92785	5.0
94.80090	0.9
94.92494	1.4
94.98064	1.0
96.99902	2.1
97.04070	3.9
98.02448	1.8
98.06098	1.1
98.19941	0.9
99.05644	7.8
101.02403	1.0
109.02956	1.1
110.00681	3.8
115.00405	1.7
116.92834	2.9
123.01512	2.0
123.05649	1.6
124.02209	1.1
125.03555	2.5
136.02275	1.0
136.99011	0.8
141.06711	22.3
143.04646	4.2
175.02452	3.7
185.05650	5.6
194.10088	1.9
222.09589	4.0
222.13113	1.0
240.10687	4.8
249.14178	1.1
264.14069	0.9
266.12143	2.2
277.21750	15.4
278.22275	0.8
279.59064	1.0
290.12015	1.4
308.13278	6.5
365.43304	0.8
374.21335	1.0
408.19653	1.2
473.22565	0.8
482.64798	1.0
544.33496	1.0
756.79285	1.1
864.68237	1.0
948.48651	4.8
954.60278	1.0
974.46606	3.7
992.47931	100.0
993.48547	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	976.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68275	35.7
70.82467	100.0
100.32407	39.9
143.55421	41.1
255.23210	44.5
303.70145	41.8
451.14505	46.0
555.46936	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	977.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	3.2
71.05207	0.8
71.52431	1.6
73.02962	1.7
83.01376	2.9
85.02933	1.3
87.00865	0.9
89.02486	1.4
93.03455	1.0
96.96015	2.8
99.52119	0.8
101.02431	2.9
107.01404	5.9
107.12476	0.8
108.50365	0.7
109.02961	4.2
113.02446	2.4
119.04998	1.4
121.02924	2.5
123.04491	0.8
125.02444	4.6
133.02937	2.4
135.04536	1.6
135.92790	0.8
137.02452	2.8
148.01704	1.0
149.02446	1.3
151.00363	25.2
159.04570	0.9
161.02449	2.2
163.00334	2.7
163.04019	1.6
164.01157	1.2
169.01453	0.9
171.04419	1.5
175.00365	2.9
175.04021	2.3
176.01131	1.3
177.01941	1.7
178.99884	7.6
183.04477	1.1
187.03920	1.3
189.01962	1.5
190.02727	2.7
191.03464	2.5
199.03955	7.8
201.01950	1.7
203.03568	1.0
205.05055	1.4
215.03474	3.2
226.02722	1.8
227.03479	5.3
242.02422	1.5
243.02971	10.8
254.02113	1.1
255.02940	10.2
257.04535	0.9
271.02481	93.3
272.02817	5.2
273.03885	0.9
282.01740	1.1
283.02606	2.0
289.07199	1.4
297.03958	0.9
299.01971	100.0
300.02728	60.6
300.05463	0.5
301.03516	50.4
302.03827	2.7
313.03470	2.1
315.05093	9.4
343.51620	0.8
353.08652	1.9
369.19150	3.0
387.20163	1.4
429.21289	2.5
447.09140	0.9
609.14661	26.9
610.14746	1.2
623.60681	1.0
668.14044	4.3
669.14539	23.5
670.15082	2.5
688.42157	1.0
977.25653	66.5
978.25629	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	980.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	58.1
71.42860	48.3
80.91676	87.1
82.95376	35.1
85.27110	29.9
87.00887	47.0
89.02448	65.6
109.57478	35.7
115.00354	44.3
125.02465	42.7
135.89449	32.3
141.92551	37.0
170.31984	33.2
175.02406	72.0
189.78624	32.2
197.11897	52.9
211.83766	33.9
277.21677	55.8
291.19601	100.0
309.20657	83.3
360.13257	38.9
397.13400	81.5
854.45953	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	987.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	4.0
71.50055	5.0
76.69333	3.3
89.02442	8.5
97.16009	3.6
101.02435	5.7
101.47943	3.9
104.17878	3.8
108.86031	3.4
161.04558	4.5
170.85655	3.6
184.19078	3.8
195.13802	5.0
275.19962	5.6
277.21658	29.1
293.17947	5.7
293.21204	100.0
294.21555	7.0
334.26489	3.6
359.82031	3.6
379.12341	8.5
397.13687	42.1
397.18674	6.8
402.75500	3.5
402.80661	4.1
415.14667	10.5
531.19257	4.4
643.04620	4.6
673.34229	6.1
675.35669	4.6
987.54492	40.9
988.54724	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	991.549
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	19.1
71.51952	2.2
72.99294	1.9
73.02972	2.4
74.25443	1.3
78.72102	1.5
83.01373	3.8
85.02955	5.4
87.00862	5.0
88.98804	6.9
89.02444	19.5
95.01407	1.9
96.96007	2.7
97.02966	3.9
101.02437	14.0
109.02953	1.9
113.02464	9.2
119.03487	4.2
125.02446	9.2
143.03497	3.8
159.10155	1.6
161.04506	6.1
179.05554	3.7
189.05965	1.6
209.11823	3.4
217.07066	1.9
221.06674	2.0
235.08269	5.6
273.17068	100.0
274.17282	4.9
277.21713	74.7
278.22012	4.7
287.07806	2.6
289.07156	1.9
305.08737	3.2
379.12369	15.1
397.13544	43.2
398.13898	2.2
415.14520	7.0
443.45059	1.6
671.31128	4.0
675.36108	3.0
991.52185	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	991.549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.2
71.01380	13.3
71.50542	1.6
73.02955	2.0
73.45901	1.2
81.03445	1.5
83.01395	3.9
85.02979	3.5
87.00871	4.0
88.98833	2.7
89.02450	11.5
96.95975	1.5
97.02953	2.5
101.02446	9.9
113.02464	5.7
116.92878	2.2
119.03537	2.7
125.02415	3.4
125.09679	2.1
132.87381	1.2
140.73691	1.1
141.01805	1.5
141.52919	1.1
143.03488	1.2
161.04529	3.0
169.60187	1.2
179.05620	2.0
191.10765	1.6
209.11801	5.0
221.06609	1.5
223.13611	1.6
235.08241	4.4
241.14401	1.4
273.17068	100.0
274.17435	4.4
277.21732	46.8
278.22147	2.8
280.52362	1.3
287.07751	2.0
347.33258	1.3
379.12415	8.2
382.48419	1.4
397.08395	2.2
397.13519	33.7
415.14615	8.5
675.36017	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	974.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36815	15.6
71.01380	17.9
73.62913	4.1
74.02467	7.2
75.00859	7.7
85.02959	3.8
90.38553	4.2
98.20613	8.1
101.02430	10.3
113.02424	5.8
115.40855	4.1
123.05638	4.7
125.02464	5.5
180.69086	4.7
189.04869	8.4
201.70201	4.1
211.13379	4.7
222.09459	5.6
225.06548	4.6
238.58423	4.3
240.10666	15.6
245.61412	4.0
255.23230	11.9
277.21707	77.4
278.22018	11.4
291.19659	7.0
372.17642	6.6
373.42538	4.3
390.18512	17.7
397.13519	13.0
602.46783	4.7
626.97748	4.8
930.47870	43.0
931.47522	9.7
974.46930	100.0
975.47131	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	974.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	10.8
72.00905	1.9
73.02943	1.8
73.10006	1.4
74.02477	13.6
85.02942	1.7
89.02443	9.0
96.99918	4.4
97.04028	2.3
101.02438	7.6
110.00722	2.3
111.05556	1.7
113.02441	2.9
119.03457	1.7
120.01231	1.7
123.05641	1.7
126.79501	1.6
128.03532	13.2
149.07173	2.4
171.07707	2.5
176.04071	2.2
178.02057	1.7
189.04939	12.6
194.10071	4.6
203.06566	2.3
209.11938	3.0
215.95657	2.0
222.09557	10.3
240.10588	32.1
241.10663	1.6
249.05516	6.9
255.23213	5.3
256.23499	2.0
277.21683	34.5
278.22238	2.4
290.12173	6.3
292.13803	2.0
304.12460	4.8
309.16187	1.9
325.15533	3.7
341.13364	2.1
356.19733	2.0
359.14194	4.8
361.15698	1.9
372.17285	4.7
379.12445	2.9
390.18591	41.9
397.13538	4.9
416.16290	2.2
482.82666	1.8
930.47888	60.2
931.48523	10.4
974.46826	100.0
975.47144	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	973.6112
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.4
70.28632	2.1
70.29025	2.0
71.01010	1.3
71.01392	24.3
72.99302	2.9
73.02956	4.0
78.95909	3.0
81.03443	1.2
81.78196	0.9
83.01395	1.5
85.02969	7.8
87.00881	8.5
88.11259	0.9
89.01928	1.6
89.02454	20.1
92.92786	1.9
94.92500	2.4
95.01396	2.3
97.02948	4.1
99.00889	1.7
101.02449	20.6
111.04500	1.6
113.02456	12.7
116.97215	1.1
119.03522	4.9
119.94758	1.7
125.01818	0.9
125.02470	10.4
136.95677	0.9
139.51173	0.9
141.01776	1.4
143.03497	3.6
143.99098	2.1
146.96587	1.9
152.99622	0.9
159.47203	0.9
161.04565	5.8
166.26912	0.9
166.30516	0.9
178.67087	0.9
179.05634	7.2
199.06064	1.5
203.05544	1.5
217.07085	2.5
221.06619	2.5
225.99237	1.0
235.08269	10.0
255.23315	100.0
256.23682	3.9
269.24951	1.3
277.21738	94.7
278.22165	4.6
287.07764	4.3
305.08871	4.4
323.09818	1.3
379.12460	26.5
397.13528	65.8
398.13754	3.5
415.14587	10.9
419.01233	1.2
544.38293	0.9
635.36060	2.4
653.37476	5.2
657.34863	1.6
675.36273	2.1
831.50189	1.9
833.50989	1.8
913.62061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92245	11.9
69.92660	16.7
71.01376	11.3
89.02468	6.3
101.02440	12.6
103.98280	6.3
109.36932	5.1
119.03519	4.9
142.43668	5.6
161.04613	7.1
176.28587	5.2
178.21225	6.8
207.24710	5.3
215.05722	5.8
277.21732	100.0
278.22098	10.4
379.12451	9.6
397.13498	52.6
685.30475	6.2
784.92804	6.3
837.54987	6.3
971.55127	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	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.6
69.65091	0.4
71.01384	9.0
71.51936	0.6
72.99311	0.6
73.02938	1.1
76.06951	0.5
81.03439	0.5
82.09274	0.5
83.01379	0.7
84.09151	0.5
85.02941	2.1
87.00881	2.7
89.02452	6.5
95.01408	0.7
95.05016	0.5
97.02924	1.2
99.00870	0.5
101.02432	5.6
111.04455	0.5
111.08167	0.6
112.22009	0.4
113.02449	3.9
115.00396	1.2
116.92855	0.8
118.50137	0.4
119.03477	2.7
121.81709	0.4
125.02453	2.4
143.03484	1.0
161.04497	1.3
169.94533	0.4
171.10242	1.1
175.02458	1.6
179.05646	2.6
179.14363	0.8
179.74084	0.5
184.17101	0.5
185.04466	0.4
188.26511	0.4
195.13887	8.2
196.14366	0.6
205.12350	0.6
221.06598	0.5
223.13345	6.7
228.13654	1.0
229.37918	0.4
231.21252	0.6
234.89961	0.4
235.08208	1.7
237.11035	0.7
249.11038	7.9
256.13174	1.2
265.21860	0.5
267.12183	1.4
267.28159	0.4
275.20190	5.1
277.21576	2.2
287.07837	1.0
291.19608	1.1
293.21228	100.0
294.21548	5.6
305.08923	0.6
309.20761	1.7
311.16876	0.9
379.12433	1.4
397.13486	16.9
398.13953	1.0
415.14606	9.6
569.42206	0.6
629.24713	0.8
654.26929	0.6
673.34711	1.1
691.35297	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	967.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.3
69.72958	4.4
71.01006	1.6
71.01385	23.0
72.99300	2.0
73.02945	4.0
81.03436	1.3
83.01365	2.2
83.05016	1.5
85.02952	5.8
86.49746	0.7
87.00877	5.9
89.02448	19.2
95.01366	1.6
97.02949	3.4
98.19929	0.8
99.00877	1.5
101.02453	16.4
105.99973	0.9
109.06537	0.8
111.08179	9.2
113.02453	9.4
116.92860	3.1
119.03509	5.1
125.02452	8.7
126.94467	0.8
127.07645	1.7
131.03528	0.9
143.03481	3.4
161.04564	3.7
169.12318	5.8
171.10220	1.0
179.05650	5.8
179.10652	0.9
181.12175	0.8
197.11829	53.2
198.12177	1.7
199.13373	3.2
211.13388	8.9
217.07219	1.0
221.06648	2.6
221.11891	3.7
222.12209	1.2
225.14723	0.9
227.12872	1.4
235.08224	7.2
239.12889	2.9
253.09410	1.4
255.23238	2.6
256.23560	0.9
263.07666	0.8
263.20148	3.7
265.18100	2.0
273.18488	1.5
277.21725	51.3
278.22095	2.1
287.07654	2.7
291.19644	21.0
292.20071	1.1
305.08728	2.4
309.20721	100.0
310.21002	4.6
378.91110	0.8
379.12494	3.2
386.75180	0.8
397.13510	45.1
398.13708	2.5
415.14581	19.1
416.14941	1.0
437.18790	0.9
689.33716	1.8
707.34521	2.7
875.48865	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	965.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00691	0.8
71.01382	0.6
71.58880	0.4
72.66831	0.4
83.05042	0.5
83.73650	0.4
85.03045	0.5
96.96013	0.7
111.08171	1.4
115.00403	0.6
132.35530	0.4
165.12849	23.6
166.13251	0.8
175.02431	0.8
175.03917	0.6
177.01939	1.3
183.13898	93.0
184.14203	3.8
201.11377	0.4
209.11819	6.7
223.06177	0.5
227.12883	100.0
228.13210	5.0
259.15573	0.4
273.17160	1.1
445.20651	0.4
462.92224	0.5
965.42188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18440	10.1
69.19796	100.0
69.20210	27.9
98.20615	20.3
116.92810	12.5
125.02411	17.7
135.03014	24.5
148.14899	11.7
159.02652	12.3
188.68980	11.9
200.11545	12.4
204.97903	12.3
209.11836	14.1
234.14819	14.4
272.62018	12.2
277.21713	46.0
285.85895	12.8
833.50525	16.0
966.48199	19.5
1002.98169	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	966.6595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	4.3
71.53020	3.2
74.02448	1.7
80.51570	2.1
83.05020	2.4
89.02448	2.3
96.96009	1.7
97.47793	2.2
101.02422	2.5
109.02965	2.4
125.02463	5.2
128.03514	3.5
135.04446	2.3
137.02460	2.4
139.29604	1.8
143.04578	4.4
145.02936	2.8
153.01801	2.2
161.02428	3.9
189.01956	2.3
210.08839	1.8
289.07205	2.1
299.05557	2.4
306.07629	8.0
309.57474	2.0
327.04962	5.5
341.06570	3.6
447.09549	4.7
451.09894	4.2
532.26642	1.9
905.67432	5.4
906.67065	21.6
966.66034	100.0
967.66217	22.1
981.47437	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	965.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	11.6
71.51635	1.6
72.99313	6.6
73.02941	1.4
75.00871	1.2
78.91902	1.2
85.02930	1.4
87.00878	25.1
88.98804	1.3
97.02959	1.1
99.00871	1.1
101.02435	1.9
112.98786	1.2
113.02427	1.4
115.00380	50.9
116.00715	1.3
116.92853	1.3
125.09721	1.6
127.92684	1.0
135.03021	1.3
147.48744	1.1
175.02477	100.0
176.02849	1.5
209.11848	10.5
219.10277	1.2
227.12807	1.2
237.11205	2.0
239.12981	2.3
247.09744	2.4
265.10883	2.2
277.21729	15.7
761.41364	14.1
762.41864	1.2
777.26215	1.1
779.42297	8.8
797.44525	1.4
809.43286	1.5
861.43744	1.2
879.43475	1.7
965.46796	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	964.511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	62.7
71.51424	31.0
88.98812	32.1
89.02435	35.9
100.61546	22.5
101.02393	27.7
104.93019	24.0
108.75139	25.8
121.02928	32.9
125.02477	32.3
126.05415	23.3
140.25111	25.9
209.04541	45.5
211.13353	100.0
212.13708	37.8
270.82233	22.9
277.21765	90.3
278.22012	72.1
289.18170	66.3
319.26791	22.4
354.61752	35.4
397.13525	67.5
398.13702	45.9
399.14154	29.9
495.98111	25.8
538.97864	25.5
636.77808	25.6
652.91479	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	964.511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	30.9
80.96552	17.1
88.98817	25.1
89.69774	17.9
98.19869	53.8
101.02468	29.9
101.79951	18.1
112.17368	18.1
124.79669	20.9
161.68103	19.5
196.68683	20.5
199.26785	20.3
205.12222	19.4
209.04468	32.0
211.13361	53.2
212.13715	45.5
213.13957	32.6
227.75450	16.6
259.63940	17.8
277.21683	100.0
278.21945	38.7
279.22379	20.4
321.94913	22.7
397.13351	62.8
456.96039	20.2
507.70523	19.5
519.23419	18.6
733.32800	23.6
919.40497	22.2
946.53119	27.1
964.51489	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	963.6858
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.0
81.03453	5.7
81.76510	0.3
83.05026	15.2
84.05289	0.3
89.02466	0.4
95.05034	0.3
96.96009	0.4
98.19810	0.5
105.92506	0.4
107.06075	0.3
108.04531	0.7
108.36229	0.3
109.02929	0.6
115.51625	0.3
119.04969	0.3
119.26849	0.3
125.02455	1.7
125.07167	0.7
137.02431	0.5
151.04073	0.4
161.02419	0.9
175.03856	0.3
190.34106	0.3
207.14977	0.6
209.35988	0.3
224.17685	2.8
225.14159	0.3
225.16077	8.2
229.51297	0.4
242.18721	0.6
245.08157	0.3
288.67514	0.3
289.07202	0.4
309.21783	1.1
327.04807	0.4
333.22852	0.4
341.28912	0.8
367.26996	0.9
405.82358	0.3
433.31744	1.1
450.34460	1.0
451.32889	6.9
452.33286	0.5
550.43329	0.4
567.46130	0.4
593.43787	0.4
677.49683	1.3
776.59937	0.6
885.64868	0.7
903.66479	100.0
904.66730	17.9
963.42633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.9
71.01385	16.7
72.01685	0.5
72.79698	0.3
72.99309	1.4
73.02942	2.2
78.78863	0.4
80.24426	0.3
81.03442	0.9
83.01382	1.9
83.05015	0.5
84.02158	0.5
85.02457	0.7
85.02953	10.2
86.20585	0.4
87.00884	3.7
89.02443	13.4
93.23482	0.4
95.01368	1.6
95.05000	0.4
96.95976	0.4
97.02961	3.5
97.06591	1.2
98.80566	0.4
99.00900	1.0
101.02444	11.7
109.02971	0.5
111.04530	0.5
113.02458	6.4
117.07052	0.7
119.03492	4.3
121.02901	0.4
125.02454	5.2
125.09707	0.9
127.11254	1.0
131.03467	0.7
133.05069	0.4
137.09726	2.6
143.03522	2.2
155.10788	0.4
161.04559	2.6
167.14299	0.5
171.10271	24.0
172.10576	1.0
177.12788	0.6
179.05650	2.8
183.13882	2.2
193.12288	0.5
201.11325	0.8
209.11842	1.0
211.13385	7.5
212.13622	0.5
217.07321	0.6
221.06567	1.0
221.11813	1.8
228.98747	0.5
229.14438	6.1
235.08209	4.2
239.12878	1.1
253.09311	1.2
255.23288	34.3
256.23669	2.0
277.21683	2.0
287.07727	1.1
287.13675	0.4
287.16504	1.8
291.19550	2.6
305.08722	1.6
305.17523	2.1
309.20712	7.9
323.09894	1.1
327.21753	100.0
328.22040	5.3
369.22934	0.5
379.12302	1.1
397.13486	53.4
398.13815	2.6
415.14587	14.8
416.14938	0.5
565.44690	1.6
653.37463	6.4
707.34979	6.1
708.35236	0.7
725.36212	2.7
945.52313	1.6
963.57214	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	963.5345
Annotation	Arabidopside D
Peak:m/z	Relative Intensity
69.03455	1.4
71.01381	17.1
71.52047	2.1
72.99307	1.8
73.02946	2.9
78.83904	1.2
80.91673	4.9
82.85212	1.2
83.00909	1.1
83.01389	2.8
85.02949	6.7
87.00891	4.3
89.02445	14.2
95.01395	1.2
95.04996	2.1
97.02995	2.1
97.06598	3.4
99.00903	2.1
101.02442	13.2
102.04734	2.1
113.02467	7.3
115.05538	3.2
117.07112	71.6
118.07445	2.4
119.03476	3.4
119.08652	1.9
123.08156	1.7
125.02450	3.9
125.09721	11.2
135.08186	6.9
157.00781	1.3
161.04486	2.4
171.10266	3.7
179.05620	5.2
183.13914	1.5
185.11827	1.2
209.11815	5.3
209.13625	1.2
211.13411	6.5
221.06602	3.0
229.14343	6.3
235.08173	2.0
243.17613	1.4
245.11552	2.7
255.23332	8.0
263.94916	1.2
269.15369	3.2
277.18396	3.1
277.21713	30.0
278.22064	2.3
287.16544	38.9
288.16916	1.8
291.19608	2.5
305.17511	13.6
309.20758	2.7
327.21747	27.4
347.76343	1.2
397.13516	13.9
415.14508	5.2
529.11877	1.5
667.29388	2.6
685.30493	5.6
703.31793	1.9
709.50946	1.5
725.36102	2.5
945.52130	100.0
946.52454	16.8
963.53436	5.3
964.53662	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	962.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73063	1.0
71.01385	16.1
71.40269	1.9
72.99311	6.0
73.02950	1.5
75.00869	25.5
80.96508	2.2
81.61185	0.9
83.01400	1.2
85.02939	5.6
87.00874	23.0
88.01244	1.2
88.98817	2.9
89.02442	2.6
97.02953	1.7
97.76266	0.9
98.63760	1.0
99.00912	1.8
101.02435	3.7
109.02950	3.6
113.02449	3.5
114.11410	0.9
115.00373	46.3
116.00707	2.4
117.00810	1.0
123.04488	2.2
125.02420	1.4
125.09666	1.4
127.03990	3.0
135.02995	3.2
151.03967	1.3
154.73157	1.1
157.01486	1.0
169.05052	2.5
169.12343	1.4
171.10269	16.3
175.02470	100.0
176.02802	9.6
177.02957	3.0
192.22162	0.9
193.12299	1.8
195.13818	2.1
197.11813	15.6
209.11777	3.8
221.11819	2.5
223.13460	2.1
235.08107	1.7
235.13327	1.3
239.12776	3.7
241.14430	1.8
245.11780	2.3
253.09221	3.9
267.12338	3.2
277.21719	36.6
278.21942	2.0
285.13449	7.4
321.18051	1.1
339.03381	1.2
503.21378	5.5
513.30878	1.9
521.22357	4.6
737.41010	1.4
759.44031	1.3
763.42749	1.5
765.43756	2.4
777.41351	3.3
779.42010	10.0
781.43787	66.2
782.44019	10.6
803.41858	2.4
811.44446	2.9
821.43341	15.1
822.43140	2.4
839.44238	6.4
881.44403	1.2
899.46179	2.0
919.14728	1.4
962.42126	2.7
963.42535	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	961.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.9
71.01382	17.0
71.20631	1.4
72.99302	2.1
73.02940	2.2
75.00865	0.8
81.03446	0.7
83.01399	2.4
83.05013	0.7
85.02949	4.1
87.00877	4.4
88.98799	0.7
89.02441	17.6
95.01389	1.8
96.96015	1.8
97.02946	2.7
97.06602	0.6
99.00895	1.2
101.01803	1.0
101.02444	14.0
106.68660	0.5
113.02452	7.4
119.03500	4.6
125.02441	6.4
130.87654	0.5
131.03522	1.1
136.89153	0.6
139.04037	0.7
143.03508	2.6
145.58717	0.6
149.04634	0.9
161.04617	4.2
167.03526	1.1
167.14427	1.1
175.02451	0.6
179.05588	4.3
183.13893	6.9
193.12350	1.8
211.13388	100.0
212.13731	3.7
217.07124	1.4
221.06610	1.5
235.08223	6.0
241.14436	7.4
242.14833	3.0
243.15048	1.6
253.09238	1.0
259.08218	0.9
277.21716	66.1
278.22073	5.1
279.22464	0.7
287.07703	1.9
305.08844	2.0
323.09796	1.3
379.12439	15.9
380.12634	1.8
397.13492	50.2
398.13782	3.9
399.13947	1.3
415.14578	9.0
591.26727	7.8
592.27576	0.9
609.27466	6.3
649.55438	0.6
657.35040	3.7
675.35931	6.3
703.43878	1.0
703.57642	0.6
778.93536	0.6
869.49176	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	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.2
71.01379	14.5
72.78929	0.4
72.99297	0.9
73.02944	1.9
81.03461	1.1
83.01391	2.1
83.96439	0.4
85.02945	3.6
85.93578	0.4
87.00880	4.7
89.02443	11.6
95.01390	0.8
97.02963	2.5
98.20696	1.0
99.00876	0.7
101.02444	9.8
106.29181	0.5
111.04533	0.6
113.02440	6.8
119.03489	3.4
121.02949	0.5
125.02445	5.0
131.03506	0.5
139.03969	0.5
141.01729	0.7
143.03552	2.1
149.04532	0.5
161.04544	3.9
165.12793	0.5
167.14421	0.7
179.05630	3.1
183.13901	5.9
193.12325	1.4
199.06168	0.5
211.13383	100.0
212.13701	3.8
217.07147	0.6
221.06650	1.1
231.60992	0.5
235.08217	4.4
253.09193	0.7
255.23398	0.9
259.08179	1.2
259.94910	0.4
265.66583	0.4
277.21713	47.8
278.22086	2.7
287.07758	2.2
289.07056	0.8
305.08798	2.1
323.09818	1.7
327.21805	0.6
379.12433	9.9
397.13483	37.0
398.13950	1.9
415.14514	7.8
429.21082	0.7
487.99121	0.5
490.71991	0.5
591.26587	11.2
592.27417	1.3
609.27655	9.3
609.37036	0.3
610.28094	0.6
657.34772	2.4
675.35736	2.8
869.48944	2.1
906.46729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16769	10.8
69.17188	11.0
69.73025	2.1
71.01391	8.8
74.41575	2.0
79.39251	2.2
83.01385	3.1
85.02940	5.7
87.00865	4.2
89.02470	3.0
91.01891	2.4
93.03428	2.5
96.96008	2.9
97.02940	3.7
99.00909	2.0
101.02451	6.0
109.02938	3.6
113.02447	7.0
115.00377	3.3
119.01401	5.7
121.02940	8.7
123.04522	3.0
124.77156	2.3
125.02459	9.4
132.02118	2.8
134.03668	3.2
135.04521	5.7
137.02437	4.6
145.02942	2.9
147.00874	5.1
149.02417	33.8
161.02522	2.8
162.03137	3.8
163.03967	5.0
164.04788	18.6
165.01955	5.4
165.05525	2.5
175.00380	36.5
175.01956	3.5
175.02525	4.8
176.01064	8.4
189.01900	2.6
190.02710	100.0
191.03387	10.0
203.07133	3.1
205.05048	93.3
206.05576	3.4
208.03731	3.3
223.06143	21.3
245.08139	2.9
265.07098	2.8
285.04071	5.6
289.07141	13.0
290.08051	2.5
495.79230	2.3
569.36707	2.9
737.30273	6.9
755.31085	15.6
849.74365	2.4
961.37445	55.3
962.37988	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	960.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	85.2
71.85669	52.1
72.29868	52.4
88.98794	100.0
89.02454	65.8
114.52901	46.3
116.92818	47.1
141.55975	51.3
175.44557	53.2
207.54202	54.1
226.43343	49.3
266.73596	48.5
293.21182	61.6
299.68808	51.6
489.03299	62.0
625.26147	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	960.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88046	0.4
71.01382	8.7
71.84300	0.4
72.99310	1.8
73.02917	0.6
75.00865	0.4
81.82069	0.3
83.01392	0.9
85.02956	1.0
87.00877	16.9
88.98836	0.7
91.41382	0.4
98.19827	0.7
99.00888	0.6
101.02483	0.5
111.00882	0.6
112.98804	0.8
113.02438	1.0
115.00373	29.8
116.00692	0.6
135.03055	0.9
139.00368	0.7
142.99792	0.4
157.01405	1.5
175.02473	100.0
176.02786	2.2
209.11821	4.8
216.59604	0.4
239.12915	0.7
277.21716	7.4
278.21942	0.4
453.73062	0.5
683.39697	0.5
757.33313	0.5
761.41193	4.0
762.41589	0.9
763.42883	1.2
775.43652	0.5
779.41827	2.1
801.41998	0.6
835.45087	0.7
861.43378	0.6
879.44415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72749	2.1
70.73143	1.9
71.01383	11.0
83.01411	1.0
85.02953	10.4
87.00878	1.7
88.98809	4.4
89.02445	2.2
93.03419	1.3
95.01408	1.8
97.02972	1.7
101.02448	1.8
105.75932	0.9
109.02947	2.2
110.97958	1.0
111.00918	0.9
113.02450	14.9
115.00372	1.2
119.01421	1.2
119.04951	1.1
121.02938	7.6
123.04559	1.3
125.02444	4.0
133.02951	1.6
134.03720	1.5
135.04547	2.7
135.41521	1.0
137.02452	2.7
139.03905	1.1
147.00900	1.6
147.04510	3.0
149.02432	52.6
150.03079	1.8
152.01132	4.6
159.04562	1.0
160.01772	0.9
161.02487	1.3
161.04602	1.0
161.06033	1.3
163.04004	5.9
164.04793	47.4
165.01907	1.2
165.05284	1.3
169.05077	2.4
173.02422	1.0
175.00383	8.4
175.02438	2.3
177.01918	2.2
179.03468	1.4
179.05678	1.5
179.07109	10.6
181.04932	1.1
190.02724	26.6
191.03558	5.0
193.01369	6.6
203.07089	1.7
205.05057	22.2
206.05812	8.5
207.02994	2.4
208.03764	20.1
209.04362	1.2
221.08167	9.8
223.06105	100.0
224.06387	2.2
225.62721	1.2
235.02454	1.3
237.07680	2.6
245.08253	2.3
247.06087	2.6
250.04848	2.8
265.07156	32.6
271.45740	1.1
277.07364	1.4
280.05704	1.3
287.09299	2.1
289.07236	8.3
295.08215	54.4
296.08524	2.0
319.08206	7.1
325.09225	15.7
349.09274	7.4
367.10306	43.4
368.10446	2.6
385.11398	26.3
496.07751	1.3
959.37750	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	958.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55045	69.1
88.47064	62.8
120.98375	57.9
134.89500	64.1
136.31244	61.5
155.77592	67.7
202.73033	58.6
209.08342	62.1
209.11861	71.7
251.03978	62.9
255.23402	92.7
267.80655	69.6
344.37860	64.3
367.13589	64.4
397.13324	63.6
527.53467	59.9
561.16382	67.2
606.29871	60.3
867.42896	79.1
958.53717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	23.3
72.99313	16.9
79.67624	9.3
88.98775	19.5
89.02461	19.0
101.02437	19.3
109.35509	10.6
113.02469	10.6
116.92870	43.4
125.02390	10.9
161.04568	12.0
209.11853	100.0
211.88943	10.4
227.12785	16.5
255.23232	85.3
256.23444	11.5
259.15506	30.3
299.48578	9.5
300.62094	11.3
313.79694	11.0
318.93335	9.4
372.72150	8.4
379.12405	14.4
397.13379	70.1
415.14606	13.2
442.84543	10.4
451.49942	9.2
798.38464	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	953.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	13.0
73.02967	3.4
84.67313	3.3
85.02937	7.2
87.00875	3.5
89.02456	15.8
92.00921	3.3
97.02919	3.9
98.20751	8.2
101.02431	8.7
113.02435	5.1
116.92846	12.1
119.03471	5.1
125.02467	7.3
143.66483	3.8
163.11343	3.9
179.05708	5.8
183.61589	3.5
209.11815	100.0
221.06618	4.2
227.12915	23.1
235.08205	9.4
259.15475	47.7
277.21707	55.5
287.07571	3.9
379.12750	18.0
397.13452	64.8
415.14523	14.6
440.53348	3.8
463.95786	4.5
589.24713	14.7
607.26257	11.4
675.36102	6.1
703.35858	3.9
867.48267	7.8
953.48724	51.6
954.48956	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	951.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57104	0.5
69.03465	1.2
71.01010	1.0
71.01385	14.7
72.99318	2.8
73.02941	1.9
83.01380	1.9
85.02955	4.3
87.00868	3.7
88.98797	0.6
89.02447	15.0
95.01379	0.7
97.02943	2.0
99.00859	1.1
99.37366	0.5
101.02452	11.4
113.02448	5.7
116.31155	0.5
119.03505	3.7
125.02442	4.8
126.57515	0.5
131.03510	0.6
133.21976	0.5
143.03482	1.8
161.04601	2.4
167.10551	0.5
171.10240	1.2
177.95232	0.5
179.05637	4.1
179.14391	0.7
195.13902	6.2
211.13321	0.8
221.06645	1.2
223.13377	4.5
231.21118	0.6
235.08171	4.2
235.17036	1.0
259.20947	0.6
263.07803	0.5
275.20160	7.3
277.21713	39.7
278.22009	2.8
287.07794	1.7
293.21228	100.0
294.21542	6.9
305.08746	1.4
323.09622	1.0
379.12451	3.5
384.53293	0.5
397.13464	28.9
398.13846	1.8
415.14597	12.1
416.14981	0.6
587.37238	0.5
673.34656	1.0
675.35712	0.7
691.35657	1.4
861.45483	0.6
974.04834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	49.7
89.02427	35.6
98.19907	68.5
101.02469	31.3
115.00337	27.0
116.92889	23.1
120.80830	19.2
143.20749	20.8
150.48064	21.2
159.93675	19.8
175.02464	28.8
197.11783	100.0
198.12166	60.8
199.12317	28.6
277.21701	64.3
278.22134	33.7
397.13528	36.4
486.47507	27.1
580.60382	22.0
656.31158	22.0
959.86804	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	949.566
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87531	22.9
98.19842	30.4
116.82819	18.6
165.83653	22.0
202.44389	20.0
207.07677	21.8
222.39078	20.3
255.23326	91.6
277.21686	90.6
291.90762	23.4
379.12445	28.9
397.13431	100.0
949.56470	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	950.496
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07126	10.1
68.99559	20.7
71.01366	16.0
71.51197	14.3
71.83300	9.3
85.02960	12.2
85.23280	9.3
92.92794	15.9
94.41655	9.5
94.92523	14.3
105.77799	9.9
115.00385	20.9
116.92856	100.0
125.02381	13.7
136.02194	9.9
147.53986	10.6
175.02394	18.9
197.11740	54.7
198.12224	13.0
255.23396	14.8
277.21658	24.5
278.21921	26.7
397.13196	25.8
398.13474	10.3
399.13690	10.9
452.23889	11.3
574.24817	11.1
708.44299	12.4
722.20245	11.2
950.54260	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	948.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	15.4
72.01717	3.9
79.04607	3.0
80.96523	3.3
85.02961	3.5
87.00874	35.9
93.03490	2.9
98.19917	8.3
99.00880	4.4
108.16277	2.8
114.49210	2.9
115.00383	65.1
116.00694	3.8
116.92845	6.6
119.03484	3.1
125.02411	3.5
139.99626	2.7
157.01465	3.7
175.02473	100.0
176.02859	14.2
197.11830	4.8
209.11766	8.1
210.12117	4.5
244.80573	2.6
277.21707	11.9
278.22110	10.4
397.13428	6.0
671.47485	3.2
685.00708	4.3
794.44470	4.8
863.98944	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	948.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51971	49.8
90.39621	29.2
96.96024	56.0
116.92858	42.5
122.23752	28.6
198.95537	34.2
201.56389	31.2
224.38574	33.1
227.12718	61.8
277.21701	100.0
278.22037	43.8
397.13281	50.7
503.94910	38.7
718.26031	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	948.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
82.18273	33.1
88.98750	42.9
89.02437	46.1
89.83955	31.7
98.20757	67.6
100.84550	38.7
101.02476	40.6
101.95311	47.0
109.02985	44.6
116.92815	46.2
121.02859	45.2
125.02464	47.5
151.03943	55.0
175.02440	41.2
209.11769	53.1
227.12920	100.0
229.48412	54.1
237.72345	42.4
254.36116	37.7
289.07269	46.0
473.15958	41.0
547.44165	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	947.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.5
70.36513	1.3
70.36851	0.8
71.01377	14.5
72.99300	1.2
73.02940	2.1
75.00882	0.6
81.03451	0.6
83.01409	1.5
83.05035	0.8
85.02950	3.8
87.00889	3.8
89.01934	1.0
89.02448	13.5
95.01387	1.5
97.02952	2.1
101.01388	0.5
101.02437	12.1
111.04482	0.7
113.02457	6.1
116.92845	1.0
119.03499	3.0
125.02442	5.7
131.03482	0.6
141.01907	0.7
141.37471	0.6
143.03488	2.2
153.12856	1.6
161.04561	3.3
169.12357	8.3
179.05658	4.4
197.11821	100.0
198.12152	3.6
200.24071	0.5
209.11884	0.7
217.07138	1.3
221.06711	1.4
235.08177	3.9
257.77164	0.6
259.08194	0.7
277.21713	46.5
278.22165	2.7
287.07733	1.8
305.08710	2.6
323.09830	1.3
379.12494	11.7
390.86615	0.6
397.13498	40.0
398.13571	1.2
415.14658	7.4
415.20102	1.0
577.24963	10.8
595.26044	9.6
596.26227	0.6
630.93726	0.7
657.35010	1.5
675.35773	2.9
767.29645	0.7
855.47778	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	947.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	1.5
71.01380	17.0
71.43565	1.3
72.99297	2.7
73.02946	2.3
83.01421	1.3
83.05032	0.9
85.02958	4.5
87.00865	3.7
88.98818	2.1
89.02447	14.0
95.01394	1.9
96.96003	0.7
97.02946	3.3
99.00873	1.3
101.02447	12.3
113.02454	7.2
116.92829	0.6
119.03530	3.3
125.02457	6.6
135.62401	0.7
137.95140	0.6
139.03954	0.8
143.03505	2.7
151.11269	0.7
153.12794	1.7
161.04564	3.4
169.12321	6.8
175.02469	0.8
179.05606	3.2
179.10747	0.8
197.11826	100.0
198.12088	3.6
209.11780	0.9
217.07266	1.0
221.06575	1.9
235.08162	4.8
259.08167	0.8
277.09512	0.9
277.21713	61.3
278.21988	3.8
287.07718	1.5
289.16486	0.8
305.08813	2.5
323.09796	1.4
379.12439	12.0
397.13504	44.3
398.13834	2.7
415.14554	8.9
418.61349	0.6
577.25006	9.5
595.26343	6.4
657.35126	3.7
658.35126	0.9
675.36011	5.1
855.48077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74179	0.3
67.01894	0.5
71.01363	0.6
83.01380	0.5
87.45734	0.3
93.03458	5.1
93.43747	0.3
105.03499	0.4
108.57104	0.4
109.02938	1.2
111.04554	0.7
119.05033	2.8
121.02969	0.7
125.02441	1.2
133.02939	5.1
135.04504	1.6
137.02423	0.9
149.02429	1.0
155.03458	0.6
161.02370	0.4
163.00392	0.9
163.04018	2.5
165.01918	1.2
170.83366	0.3
173.04541	13.5
175.03917	1.7
177.01949	0.9
178.99812	1.1
179.03444	0.7
191.03604	0.7
191.05627	1.0
193.01425	0.8
199.03981	0.7
201.01945	1.1
203.03275	0.5
213.05586	0.5
217.05045	0.5
225.05652	0.3
227.07033	0.4
243.02956	0.4
253.05069	0.7
269.04495	1.1
270.05219	0.4
281.04596	0.4
283.06073	0.4
284.03247	3.8
285.04007	4.2
297.01178	0.3
297.04025	7.2
297.07651	2.0
298.04813	9.7
299.05591	13.5
300.06052	1.0
309.03918	1.6
311.01920	1.8
311.05646	1.8
312.06052	0.6
313.03525	13.9
314.04089	0.6
323.05777	0.5
325.03574	1.4
325.07007	0.4
326.04230	1.0
327.05075	61.8
328.05469	3.5
330.03766	0.7
337.09396	2.2
339.05081	3.3
341.06598	0.8
343.04282	0.5
353.06406	3.5
357.06140	16.3
358.06528	1.5
369.06192	2.6
383.07782	2.7
395.07635	0.5
399.07156	0.6
411.07129	0.5
429.08231	0.9
447.09305	27.2
448.10013	2.1
473.10971	0.8
489.10410	3.4
519.11371	0.7
587.45349	0.4
593.15094	13.3
593.24689	0.7
594.15350	1.5
609.14569	100.0
610.14886	10.6
708.67468	0.4
715.26324	0.4
966.30823	0.4
979.72003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28825	20.8
69.40851	2.1
71.01382	30.9
72.12048	2.8
72.99274	3.8
73.02942	5.4
75.00860	3.1
77.56486	2.2
81.03480	2.3
83.01391	3.5
83.05006	4.4
85.02946	7.1
87.00876	34.4
89.02434	14.9
97.02956	2.8
98.20770	2.4
99.00833	4.4
101.02463	11.6
113.02448	8.9
115.00366	67.3
119.03489	3.3
119.52681	2.6
125.02441	6.4
135.08084	2.2
157.01375	4.2
161.04549	3.8
163.11267	3.8
171.10231	4.5
175.02470	100.0
179.05606	3.5
188.19411	2.5
207.10292	3.7
209.11824	82.6
210.12199	21.1
221.06444	3.0
225.11343	4.2
226.11534	3.3
227.12740	5.9
235.08179	5.4
277.21695	55.2
278.22061	16.4
289.16516	3.4
352.58344	2.7
379.12271	8.3
380.12579	3.5
397.13593	26.2
398.13812	9.9
408.16742	2.6
415.14175	5.6
452.61948	2.8
516.89612	2.5
607.25348	3.1
608.25208	3.7
778.19000	2.5
793.43463	10.6
851.44409	6.5
886.48053	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	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40153	4.5
71.01373	31.1
82.74377	4.5
83.01434	6.5
85.02984	8.5
87.00893	27.6
88.98848	7.0
89.02452	20.7
90.96038	4.6
99.00873	10.4
101.02468	27.9
111.20129	4.6
113.02434	7.2
115.00373	42.3
116.92864	7.9
125.02418	6.0
130.78854	4.5
135.04518	4.4
163.11304	8.1
175.02481	91.0
179.05634	5.8
197.11789	5.0
207.10245	7.8
209.11841	100.0
210.12167	37.5
225.11255	7.2
227.12871	9.9
259.18286	4.1
277.21713	69.6
278.22137	36.2
289.16528	8.5
379.12521	10.0
397.13492	49.5
398.13861	10.7
415.14490	7.6
886.47913	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	945.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54778	1.2
69.45168	6.4
69.45570	2.9
71.01384	8.6
72.99316	1.3
83.01402	1.3
85.02959	2.5
87.00879	2.2
89.02453	10.4
95.01360	1.5
95.05049	2.5
97.02966	2.7
101.02444	8.3
113.02454	4.4
119.03489	3.1
123.04497	1.7
125.02453	6.0
137.02457	2.4
138.89630	1.4
143.03505	1.4
151.04018	3.5
151.11330	2.9
153.12866	3.7
154.78256	1.2
161.02414	4.3
161.04552	1.5
165.12859	4.8
179.05656	3.9
181.12137	1.8
209.11749	7.0
221.06639	2.1
226.90851	1.3
227.12878	100.0
228.13264	2.9
235.08296	1.9
261.82742	1.5
277.21713	28.4
289.07196	3.9
305.08841	1.3
337.21652	1.3
379.12540	5.3
382.42822	1.4
397.13498	27.1
398.13925	2.7
415.14566	9.6
505.35495	2.4
556.17871	1.6
607.26233	6.3
625.27252	4.7
675.35675	3.2
885.49615	8.4
945.47083	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	945.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93859	2.5
71.01385	17.3
72.99293	2.7
73.02955	1.1
80.02665	1.3
83.01397	1.3
83.05033	4.7
85.02929	3.0
87.00871	4.1
89.02454	12.3
95.16018	1.0
96.95961	1.3
97.02940	3.5
99.00877	1.5
101.02452	12.6
101.77670	1.0
104.15397	1.0
111.00910	1.0
113.02475	5.8
115.00395	3.0
119.03494	2.5
125.02457	5.8
143.03488	1.4
154.34578	1.1
161.04582	3.2
163.11282	2.6
165.12859	2.0
167.17656	1.1
174.89093	1.0
175.02411	5.5
179.05647	4.4
191.10825	1.3
209.11823	100.0
210.12231	5.0
221.06667	1.5
225.11310	1.9
227.12920	13.2
235.08212	4.1
277.21729	59.7
278.22043	4.5
287.07797	2.0
305.08878	2.0
323.09839	2.0
379.12531	9.9
397.13525	44.2
398.13864	2.3
415.14587	7.2
490.64993	1.1
566.85876	1.2
589.24792	1.8
607.25806	3.8
618.49426	1.3
625.26514	1.4
625.36847	1.1
649.18378	1.4
675.34723	2.0
702.09363	1.2
885.47699	4.7
966.67603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53777	0.7
69.03431	1.2
70.73393	1.9
71.01382	14.5
73.02940	2.3
81.03461	2.4
83.01368	1.3
83.05025	5.1
85.02935	3.8
87.00869	5.1
88.98794	1.3
89.02448	12.1
94.76632	1.0
95.01344	1.8
97.02935	2.9
99.00868	1.0
101.02451	9.4
113.02457	6.4
115.00384	2.3
119.03498	2.7
125.02443	7.1
135.08107	1.0
143.03542	2.1
161.04553	3.5
163.11267	3.1
164.19017	0.9
165.12794	2.6
175.02547	3.9
179.05589	3.3
181.12370	1.0
209.11824	100.0
210.12137	4.1
221.06639	1.4
226.11725	0.9
227.12892	10.5
235.08084	4.8
253.09216	0.9
277.21732	47.2
278.21976	2.1
287.07736	2.1
305.08835	1.0
323.09668	2.1
375.70645	0.9
379.12427	10.7
397.13516	38.3
398.13904	1.8
415.14438	6.6
419.77808	0.9
441.65125	1.0
589.24750	1.6
607.25977	3.3
675.36078	1.8
885.47858	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	944.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	42.0
71.51418	19.9
71.51875	30.0
81.89703	25.0
101.02435	27.6
113.02493	20.1
115.00385	33.3
140.81004	22.3
178.97438	21.5
184.29564	22.7
186.14479	22.8
189.46706	24.1
191.77208	25.8
209.11743	49.9
215.63071	23.6
225.11171	25.7
227.12880	50.5
245.49788	25.9
277.21661	100.0
278.21945	22.3
397.13348	51.2
412.06436	22.3
514.31921	24.7
945.50403	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26340	27.7
71.01385	56.7
74.30238	31.6
77.32902	32.4
78.73109	27.1
84.66868	31.2
89.02454	46.8
98.20773	63.5
101.02454	37.5
117.07076	45.8
162.98973	36.7
211.91678	29.3
218.75284	30.4
223.13370	78.3
224.13805	63.4
225.14088	34.1
229.23805	39.3
277.21637	83.5
278.22025	71.0
397.13193	53.6
398.13260	41.8
547.56622	31.2
731.50769	34.7
767.18439	35.9
871.89606	33.3
945.52032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	44.7
71.51654	31.6
71.51997	24.9
79.47565	22.0
83.69360	24.6
100.55807	25.2
101.02464	44.6
111.86734	24.7
117.07123	45.2
125.54279	22.7
205.17534	26.2
211.13393	36.3
212.13634	24.6
255.23329	89.6
256.23746	37.8
289.25723	23.4
305.17438	28.5
397.13556	48.7
625.01642	25.4
675.58972	26.7
773.50323	25.7
924.54266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.4
71.01378	16.1
71.05038	1.9
72.99294	1.2
73.02942	2.3
75.83443	0.9
83.01393	2.7
83.05037	1.7
85.02972	3.6
87.00859	5.5
89.02441	9.7
95.01375	2.8
97.02955	11.1
97.06597	3.2
98.20659	3.4
99.00874	22.7
101.02447	10.1
107.64392	1.0
113.02454	5.8
115.00356	1.2
119.03437	1.8
123.04518	1.0
123.08182	1.8
125.02455	6.5
125.09723	8.2
129.48485	1.2
135.08194	1.7
136.05312	1.2
142.02705	3.5
143.03477	1.8
161.04547	1.8
163.11272	10.3
164.25304	1.1
175.02396	1.7
176.18980	0.9
179.05531	1.5
181.12329	19.7
195.29137	1.1
197.11887	1.2
199.13380	3.6
207.10246	55.3
208.10559	2.2
209.12086	1.0
221.06754	1.2
225.11308	82.2
226.11655	3.9
229.40805	1.4
235.08199	2.7
243.12358	25.9
244.12639	1.5
263.07593	1.3
277.21713	61.1
278.22015	2.8
317.16064	1.3
379.12262	3.0
397.13416	10.1
415.14529	2.1
605.24426	21.5
606.25195	1.4
623.25391	9.8
657.34906	1.3
883.46967	100.0
884.47052	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	942.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.7
71.41570	1.1
71.52671	2.3
74.02087	2.2
74.02476	25.7
74.86073	1.3
75.21948	1.7
81.53769	1.4
82.06625	3.3
82.96243	1.6
83.01370	1.5
85.02977	2.1
87.00866	1.8
88.98785	2.5
89.02444	2.1
96.96014	2.3
98.35471	1.2
112.02769	3.2
113.07214	12.6
115.00349	2.2
115.08754	1.9
119.05060	1.5
121.02917	1.3
125.07187	2.6
125.09863	1.4
126.05652	1.4
126.09220	5.5
136.11215	1.5
143.11914	24.1
149.02469	1.7
153.06709	22.6
153.10249	2.2
155.08243	3.5
160.01636	1.9
161.02531	2.2
161.04362	1.6
161.07581	1.9
165.13945	2.3
169.09889	8.3
169.25198	1.4
170.09354	2.3
175.02443	4.8
181.13445	4.5
190.02725	1.5
196.10864	2.3
209.12924	5.7
240.17168	44.7
244.11217	3.6
252.13501	4.5
262.19238	1.4
284.16312	2.1
285.05817	1.5
292.11581	5.8
306.18115	1.7
319.21518	2.4
337.22263	1.4
418.28397	2.3
533.19623	1.4
760.46332	1.6
867.42908	4.0
868.43225	1.7
904.73267	1.6
942.45898	100.0
943.46570	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	941.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00333	0.9
69.03445	4.1
70.36937	2.7
71.01387	25.2
71.04993	1.3
72.99297	2.8
73.02948	3.6
79.95751	1.0
80.96503	4.1
83.01389	3.0
85.02979	4.6
87.00887	6.7
89.02451	20.4
94.98067	1.0
95.01399	1.6
96.36244	0.9
97.02942	3.7
98.67063	1.0
99.00909	1.6
101.02443	18.0
101.47065	1.0
113.02444	10.8
116.92857	3.6
119.03493	5.3
125.02434	7.3
127.13628	0.8
143.03510	3.1
154.06967	0.9
161.04529	4.1
164.98534	1.2
167.10706	3.0
179.05632	5.4
179.10808	1.7
179.14360	3.7
195.13910	11.1
205.12299	9.9
217.07016	1.0
221.06645	2.4
223.13393	100.0
224.13692	4.0
225.00723	1.2
235.08192	7.8
277.21735	73.4
278.22015	5.7
287.07675	1.9
305.08801	2.6
315.50018	1.0
323.10001	2.2
379.08743	1.1
379.12573	11.7
380.12897	1.0
397.13480	52.6
398.13782	3.6
415.14542	10.3
603.26556	12.3
604.26160	1.8
621.27716	9.8
657.34796	1.4
675.35217	5.4
676.36060	1.0
745.11359	1.0
881.49249	5.2
941.43445	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	939.642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70535	0.7
70.21210	0.6
70.63897	2.0
71.01379	2.5
73.02949	1.0
81.03450	1.0
83.01396	0.9
83.04997	1.0
85.02981	0.7
96.96027	1.2
101.02427	1.9
113.02428	1.4
119.05067	1.2
125.02448	0.9
128.03552	1.4
135.04533	1.2
143.04698	1.2
161.02431	1.1
163.03976	1.0
175.02451	0.8
175.18939	0.7
177.01869	1.1
179.03441	0.8
217.01292	0.8
220.90170	0.6
266.60007	0.7
272.08929	1.1
306.07608	2.7
327.05109	2.3
341.06653	1.1
447.09183	2.1
451.10242	1.6
807.93280	0.9
903.65930	3.4
939.64172	100.0
940.64264	18.1
940.81952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.473
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44765	23.7
71.01372	16.4
73.02956	2.7
73.04219	2.9
87.00854	5.8
89.02451	18.4
97.02945	4.8
100.01156	2.5
101.02456	14.6
109.02956	4.6
113.02428	5.9
116.54311	3.0
116.92807	3.7
119.03503	5.0
125.02455	10.5
125.09769	3.4
127.11235	3.3
131.89270	2.7
137.02419	6.6
151.04041	3.7
155.02438	2.8
161.02515	3.1
161.04518	7.3
165.01950	3.8
171.10382	2.9
178.45178	3.0
179.05591	9.1
201.11333	100.0
202.11703	3.3
209.09885	5.9
209.11826	86.3
210.12105	6.1
221.06694	3.9
227.12860	24.0
249.98370	3.4
277.21725	67.9
278.22067	6.6
287.59445	2.9
289.07141	5.2
323.10083	4.3
379.12622	20.8
397.13510	94.9
398.13901	6.3
415.14581	24.2
581.24268	9.4
589.25073	13.7
599.25690	8.7
607.26141	10.6
612.53607	4.0
657.34259	7.8
666.60352	3.3
675.35699	14.2
676.36182	4.1
800.93518	4.1
859.47363	15.4
867.47070	6.9
885.49103	4.8
903.50189	10.7
939.47308	31.8
940.48175	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	937.493
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99573	7.2
71.01379	6.2
73.02936	2.8
87.00896	2.4
89.02412	2.8
99.25330	1.3
99.92581	9.4
101.02444	2.6
112.98586	10.3
115.00343	1.6
116.92864	100.0
117.01952	5.1
117.92860	4.8
143.03519	1.7
161.04443	1.8
175.02493	3.5
193.44987	1.9
211.13379	26.2
212.13680	2.4
277.21701	16.4
379.12451	4.6
397.13535	11.1
415.14767	2.2
591.26471	4.4
609.27466	5.4
869.48419	2.0
937.48944	11.0
966.10657	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	937.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	36.1
87.00877	24.8
89.02472	20.7
101.02434	22.1
112.98553	11.7
115.00360	21.9
116.92877	52.5
119.94663	7.6
175.02441	56.3
179.05695	9.4
204.43016	9.9
209.11705	13.9
211.13367	100.0
235.08099	8.3
241.14360	25.0
277.21686	92.8
278.22128	17.4
287.08139	9.8
368.87637	8.6
379.12308	25.9
397.13492	84.5
414.57742	9.8
415.14410	19.0
591.26569	22.8
609.27521	12.4
675.35895	14.8
695.05475	10.0
857.26611	9.2
869.48560	16.6
937.49127	88.6
938.50031	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	935.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.7
70.63857	1.4
70.86339	0.6
71.01382	15.5
72.01704	0.7
72.99300	6.7
73.02962	1.4
75.00870	16.6
83.01382	2.1
85.02956	4.7
87.00877	26.7
88.01209	1.3
89.02438	2.1
96.96007	0.9
97.02946	1.7
99.00872	1.6
101.02441	2.2
109.02937	2.6
111.00867	2.3
111.04475	0.7
112.98778	0.9
113.02453	2.7
115.00374	47.4
116.00742	1.9
119.03512	0.6
123.04546	1.3
123.08124	0.6
125.02423	1.7
125.09736	1.2
127.00372	1.4
127.04016	0.9
135.02994	4.4
139.00394	1.6
151.03975	0.7
157.01436	2.5
161.04446	0.7
169.05058	1.4
169.12346	2.1
169.92050	0.5
171.10271	12.1
175.02467	100.0
176.02777	6.9
177.02887	2.2
191.10767	0.7
193.12314	0.9
195.13864	1.7
196.14249	0.5
197.11826	12.2
198.12219	0.7
207.10229	0.9
209.11833	6.1
210.12094	0.8
221.11786	2.3
223.13452	1.8
235.08247	0.8
235.13329	0.8
239.12978	3.3
241.14453	1.6
245.11812	0.6
252.13615	0.6
253.09299	2.4
253.14238	0.6
261.11200	0.8
267.12329	2.8
277.21701	26.5
278.22061	2.0
285.13373	5.1
503.21307	2.7
521.22400	1.8
675.37195	0.6
737.41705	0.9
759.43140	1.0
761.41162	2.0
763.42297	1.8
779.42261	5.9
780.43628	0.9
781.43744	34.4
782.43951	6.4
793.43127	0.8
811.45288	1.6
821.43304	6.9
822.43378	1.2
839.44305	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	933.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62491	0.6
70.62820	0.6
71.01384	12.1
72.99303	2.6
73.02944	1.2
75.00879	1.2
83.01393	2.1
85.02942	1.5
87.00878	26.1
89.02462	0.6
97.02943	0.4
99.00873	1.0
101.02457	0.9
109.02951	0.7
111.00866	1.8
112.98807	1.0
113.02462	1.2
115.00377	44.1
116.00718	0.5
116.92842	0.5
123.08147	0.3
125.09707	0.6
127.00410	0.9
135.03000	1.3
139.00359	2.3
142.99835	0.6
145.01483	0.3
157.01442	2.4
175.02475	100.0
176.02855	2.1
191.05591	0.5
209.11848	5.6
218.04071	0.3
219.68051	0.3
221.11871	0.7
227.12881	0.6
237.11276	0.4
239.12881	0.5
247.09904	0.3
253.09370	0.7
261.11499	0.4
265.10718	0.6
273.17215	0.6
277.21741	9.7
278.22061	0.8
279.12473	0.4
299.77109	0.3
513.30835	0.4
683.39233	0.5
761.41180	3.9
762.41449	0.6
763.42401	1.4
775.42963	0.7
779.41870	1.8
780.41760	0.4
793.44122	0.6
801.39905	0.8
861.43250	0.7
879.44366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33366	10.6
69.33793	8.9
74.68162	2.1
80.06480	2.0
83.01382	4.3
85.02945	5.1
93.03455	4.3
97.02941	5.3
98.20644	5.0
109.02976	17.4
121.02943	4.8
123.04515	13.7
125.02454	100.0
126.02860	3.1
133.02951	5.3
135.04543	6.3
137.02452	24.1
139.03970	4.2
139.93164	2.4
149.02435	8.0
151.04037	12.7
161.02461	33.2
161.06027	4.8
162.03195	2.9
163.00381	3.4
163.04070	4.1
164.01122	2.6
165.01941	4.9
173.04521	4.1
175.03970	11.0
177.01932	6.7
177.05569	3.5
179.03496	5.5
187.03975	9.8
188.04662	3.3
191.05598	27.0
192.05948	6.6
193.06049	3.5
201.05507	2.5
203.07179	8.7
205.05034	9.4
229.05057	4.7
231.03017	2.5
245.04486	7.8
245.08208	19.4
255.03015	10.0
256.03677	7.7
273.03922	4.0
281.04388	3.1
285.03860	3.8
287.05600	13.5
289.07181	69.6
290.07455	6.0
299.05640	4.6
339.08478	2.9
353.08902	2.9
355.09857	2.4
381.09866	3.1
389.06232	3.5
407.07703	72.3
408.08105	11.1
425.03259	4.6
425.08780	76.0
426.09119	12.9
451.10339	22.0
452.10333	3.2
559.12354	4.2
577.13531	47.0
578.13989	7.5
745.88416	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	931.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	3.8
71.01372	21.9
73.02960	3.3
75.00867	6.7
75.04221	2.3
78.95887	4.2
83.01405	2.1
85.02911	5.2
87.00858	14.4
88.98798	3.2
89.02442	7.3
96.96012	18.1
97.02931	3.9
98.19875	6.2
101.02466	11.9
104.05290	2.4
104.78448	2.4
110.45270	2.2
111.08164	3.5
113.02419	6.9
115.00390	13.8
116.92818	2.9
117.89163	2.3
121.00608	2.5
125.02473	4.7
125.09655	3.8
151.03999	3.5
151.11270	4.2
161.09743	3.2
169.12320	5.1
171.10202	4.5
175.02460	21.3
179.10733	7.6
197.11823	88.7
198.12157	3.6
209.11777	4.5
211.13390	7.2
216.89143	2.5
220.36087	2.4
225.11311	3.9
239.12808	2.6
291.19534	4.2
309.20715	9.3
416.38083	2.4
785.21759	2.6
788.92120	2.4
813.42871	13.1
814.43317	3.8
931.45416	100.0
932.45587	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	931.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	7.5
69.58041	6.0
69.58440	16.4
71.01374	28.8
72.99297	8.0
73.02927	4.1
75.00867	14.5
85.02941	8.1
87.00878	30.9
89.02440	12.3
96.95999	6.8
99.00803	3.9
100.81080	3.6
101.02460	14.2
109.02936	5.9
111.08128	9.2
113.02417	9.7
115.00390	39.0
115.35137	3.4
123.04549	3.9
125.02430	5.4
125.09736	3.1
141.31252	3.2
151.11298	4.6
161.09642	4.4
171.10236	13.8
175.02498	53.3
179.10797	5.4
183.13908	4.0
185.11711	3.5
197.11832	96.2
199.13326	3.0
209.11900	6.3
211.13380	8.1
239.12837	3.5
253.09235	4.6
285.13382	6.7
291.19672	4.7
309.20670	12.7
374.08875	2.8
397.13589	4.8
632.85541	3.0
811.42188	4.2
813.42230	22.5
814.42413	5.3
853.42261	3.9
931.45374	100.0
932.45776	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	931.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18011	9.8
71.01377	9.8
72.99279	1.1
83.01394	1.5
85.02953	6.7
87.00872	2.4
89.02421	2.9
91.01871	1.1
93.03490	1.0
95.01414	1.0
96.95988	1.2
97.02937	1.9
98.20724	1.2
101.02419	3.5
110.49645	0.9
111.81924	0.9
113.02451	7.8
115.00371	1.6
117.03439	2.6
119.01374	4.3
121.02944	3.5
123.04489	1.1
125.02448	1.2
132.02173	24.7
132.03174	1.3
133.02928	3.5
134.03743	40.8
135.04512	2.2
137.02458	1.3
145.02930	1.3
147.00905	4.3
147.04538	1.9
149.02429	17.6
149.06081	4.4
150.03215	1.1
160.01662	100.0
161.02440	5.5
163.03951	1.7
164.04773	10.0
165.01900	1.2
174.98827	1.3
175.00385	26.6
175.02623	4.3
175.03983	77.6
176.01173	5.4
176.04468	4.4
177.01906	1.0
178.02699	2.9
179.03566	1.4
189.01857	1.0
189.12596	1.1
190.02713	62.7
191.03491	9.3
191.07150	4.0
193.05046	23.2
205.05055	65.3
206.05432	3.4
207.06613	2.3
208.03693	2.5
223.06120	13.3
224.06635	1.3
231.69293	1.1
235.06067	3.7
265.07129	2.5
289.07211	1.2
295.08157	2.5
296.08350	1.1
336.98849	1.0
337.09216	2.1
566.07556	1.1
593.25684	2.2
707.29340	3.0
725.30231	16.8
726.30414	3.4
737.30127	5.0
755.31354	5.7
931.35968	65.9
932.36218	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	931.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	5.8
69.03450	1.3
70.82697	2.7
71.01375	3.0
72.30190	1.0
78.15455	1.0
80.95525	1.0
81.03458	2.4
83.01399	3.9
83.05032	2.0
85.02959	10.3
87.00896	2.1
93.02878	1.8
93.03461	30.2
95.01379	1.7
95.05048	1.6
97.02959	4.6
105.03481	1.4
107.05032	3.1
109.02956	16.0
111.04533	5.1
118.00342	1.1
120.06168	1.1
121.02944	2.2
123.04533	9.3
125.02451	70.0
127.04065	1.2
133.02953	9.4
134.03780	2.1
135.04527	73.3
136.04793	2.5
137.02449	22.0
139.04015	1.9
141.42830	1.1
145.02946	1.2
149.02463	3.6
151.03981	9.9
155.03462	5.1
159.04564	1.9
161.02451	21.8
161.06091	3.9
163.00352	2.7
163.03954	2.5
164.01180	2.9
165.01933	3.2
167.03409	1.2
173.04547	100.0
174.03476	1.0
174.04877	4.6
175.03989	7.3
177.01933	9.1
179.03499	61.3
180.03833	2.5
187.03976	4.6
188.04695	2.6
191.01968	2.2
191.05617	46.7
192.06084	1.2
193.05002	1.2
201.05408	1.1
203.07071	7.3
205.01416	1.9
205.05028	5.2
212.04512	1.2
217.05046	2.1
221.08136	2.1
227.03522	1.3
227.07295	1.7
229.04962	3.1
245.04474	5.4
245.08171	11.6
255.02908	6.5
256.03717	3.5
257.04428	1.1
273.04065	3.7
280.38757	1.1
281.04532	3.0
285.03925	2.1
287.05585	12.9
288.05844	1.5
289.07193	49.4
290.07480	4.0
299.05661	3.7
339.08667	3.6
346.99127	1.1
351.07458	1.5
353.08762	90.2
354.09128	7.7
381.09583	1.3
399.16956	1.2
407.07727	47.7
408.08115	5.3
425.08771	50.8
426.03479	1.3
426.08963	6.6
451.10336	14.9
452.10818	1.4
523.18829	1.3
524.00531	1.3
539.40845	1.2
559.12592	3.4
577.13525	46.4
578.13953	5.4
773.10455	1.2
835.84717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07272	1.4
76.35811	0.6
91.67366	0.6
97.23489	0.6
106.59963	0.8
109.02953	1.6
113.02401	0.6
121.02933	0.8
125.02432	1.8
133.02960	7.4
147.04558	1.1
149.02391	1.4
161.02431	1.0
163.00301	1.6
163.04013	2.3
165.01884	1.6
169.72984	0.9
175.04008	2.3
177.01952	0.9
179.03413	0.9
191.03555	1.4
197.02414	0.8
199.04010	0.7
213.05649	0.9
231.14763	0.7
235.96817	0.7
240.04295	0.8
241.05101	0.8
284.03281	7.7
285.03983	4.1
297.04028	10.7
298.04807	6.9
299.05569	11.8
300.05817	1.2
311.05759	1.9
325.03806	1.0
327.05084	77.4
328.05469	8.1
339.05060	1.5
357.06158	21.1
358.06445	1.6
369.06088	2.7
447.09314	100.0
448.09711	10.2
451.78088	0.8
483.07214	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	929.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	14.0
72.99320	1.6
73.02972	1.6
83.01385	1.5
85.02953	2.6
87.00874	3.0
89.02454	11.1
93.54395	1.2
94.32413	1.1
94.40318	1.3
97.02950	3.0
98.20682	2.1
101.02449	10.0
105.01901	1.7
113.02451	7.0
119.03492	1.7
125.02430	5.8
143.03484	3.5
161.04477	1.9
179.05597	3.6
183.13931	6.7
193.12289	1.8
211.13397	100.0
212.13667	4.1
221.06619	2.2
235.08182	4.2
277.21713	45.5
278.22034	3.2
305.08725	1.9
308.42551	1.3
323.09854	1.9
327.64844	1.3
347.12384	1.5
379.12430	7.9
397.13477	34.7
398.13776	2.5
415.14661	7.6
462.14725	1.3
591.26172	5.6
609.27856	7.7
633.87848	1.3
825.65186	1.3
929.50885	1.6
930.89868	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	929.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01903	0.8
70.30340	0.6
71.01382	16.7
72.99306	5.1
73.02956	1.1
75.00862	2.5
83.01382	0.9
83.05034	0.6
85.02396	0.4
85.02930	2.7
87.00874	33.7
88.98792	0.7
89.02412	0.8
91.43845	0.5
98.19881	1.3
99.00876	0.8
101.02443	1.5
109.02966	0.7
112.98804	1.3
113.02458	1.9
115.00373	55.6
116.00684	1.1
125.02458	0.6
125.09708	1.0
127.00331	0.9
135.03006	1.4
139.00354	0.7
142.99849	0.6
157.01413	0.8
161.04509	0.6
168.39246	0.5
175.02469	100.0
176.02837	2.3
193.12245	0.6
193.59830	0.5
195.13840	0.6
209.11827	6.5
211.13324	0.8
219.10243	0.8
221.11885	1.5
223.13184	0.5
235.08206	0.6
237.11299	1.6
239.12895	2.1
247.09694	2.1
253.09294	1.2
265.10800	1.2
272.36365	0.5
277.21713	20.1
278.22037	1.2
379.12271	0.6
397.13467	0.8
761.41101	8.8
762.41730	1.9
779.42108	4.9
780.42865	1.1
793.43732	0.6
809.43341	1.5
823.11365	0.5
861.42120	0.7
879.44196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	14.6
72.99312	5.3
73.02965	1.0
75.00871	2.2
83.01415	1.1
83.05046	0.8
85.02932	2.6
87.00878	29.6
88.98767	0.7
89.02455	1.2
94.67883	0.4
95.01393	0.5
95.05045	0.6
97.02924	0.6
99.00912	1.0
101.02470	1.4
111.00889	0.7
112.98821	1.0
113.02460	1.7
115.00379	55.7
116.00669	0.5
123.08167	0.8
125.09734	1.9
127.00368	0.6
135.03003	1.5
138.12823	0.4
139.00374	0.6
142.99879	0.9
155.83536	0.5
157.01402	1.0
175.02478	100.0
176.02762	2.5
193.12331	1.1
195.13948	1.1
209.11838	10.3
211.13377	0.8
219.10289	1.4
221.11842	2.2
227.12883	0.9
237.11420	2.0
239.12877	4.4
247.09819	1.9
253.09225	0.9
261.11459	0.7
265.10876	2.9
277.21725	13.1
278.22141	1.2
397.13547	0.4
430.01584	0.5
491.43481	0.5
501.19946	0.8
730.91510	0.4
745.96277	0.4
761.41138	10.0
762.41467	1.9
763.43317	0.7
779.42401	3.7
780.42389	1.1
793.44043	0.5
809.43732	1.3
879.43512	1.2
957.17346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	5.7
71.01380	32.5
71.81584	2.5
72.99288	7.3
73.02930	3.7
75.00871	18.6
85.02940	9.3
87.00872	25.1
89.02448	12.5
97.02937	7.0
98.27335	2.6
99.00877	3.2
101.02451	19.0
109.02972	5.4
109.06554	2.6
113.02438	7.1
115.00368	35.2
115.04015	2.6
123.04486	6.5
125.02390	5.1
125.09707	7.6
127.04009	4.6
136.31302	2.6
137.09586	4.1
149.38269	2.6
151.11324	3.8
159.34798	2.6
161.09683	3.9
163.11284	5.8
169.04953	2.6
171.10287	14.0
175.02478	52.2
176.02888	6.1
179.10739	6.4
185.11870	3.2
190.93665	2.8
191.14482	3.4
197.11821	80.0
207.10176	3.9
209.11775	11.7
221.06554	3.3
221.11766	4.4
226.79181	2.6
226.84724	2.4
235.08078	2.5
239.12819	2.8
241.10832	5.6
245.19044	8.9
253.09070	3.3
285.13501	5.9
289.18030	16.0
298.42114	2.7
307.19043	10.3
397.13547	6.5
486.83893	3.2
494.34036	2.9
563.66705	2.9
627.15417	3.1
639.25482	2.8
713.34167	3.2
811.41577	24.1
812.41760	5.9
831.36102	7.8
851.40436	7.4
929.43854	100.0
930.44287	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	928.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57955	100.0
70.63974	16.4
76.21035	14.4
101.96032	13.5
102.90189	12.8
106.65339	16.3
116.92857	20.7
122.79442	14.9
128.86484	13.2
197.11807	12.7
676.67596	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	926.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01411	33.4
71.08786	50.6
71.09127	25.7
73.42645	26.8
79.63233	27.9
83.92377	25.5
84.13138	28.2
86.66566	29.5
89.01266	24.5
116.92870	55.6
119.14574	30.5
128.34512	30.4
175.02449	41.3
209.11833	100.0
210.12239	65.6
255.23366	80.5
256.23572	48.4
289.16617	36.1
292.83258	33.9
397.13553	41.0
426.95566	27.2
454.84937	26.1
517.87854	30.6
707.09430	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	926.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24718	50.3
71.01383	90.8
71.41133	100.0
72.99294	55.5
78.61263	54.4
78.95850	57.3
89.67762	57.9
96.96014	63.0
109.83497	57.8
112.10538	53.2
149.13455	71.3
157.31715	56.3
304.91199	58.8
422.71954	66.5
670.95105	59.7
798.79242	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	926.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51686	1.9
79.91413	1.3
80.35613	1.0
93.03441	1.7
104.20284	1.1
113.02373	1.3
117.03461	3.9
121.02949	1.3
135.04541	2.0
155.11267	1.4
161.02444	2.1
162.02719	1.3
163.04013	1.5
199.20834	1.3
236.91702	1.2
253.64705	1.2
281.04602	2.7
283.06122	26.8
284.06339	2.4
311.05594	57.5
312.05963	5.0
323.05478	2.7
341.06653	8.0
431.09818	100.0
432.10071	8.1
564.91888	1.4
581.41162	1.3
766.19177	1.4
842.20496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	14.8
71.51085	20.5
89.02456	22.2
94.29623	12.0
101.02397	15.0
102.79784	12.6
115.00344	13.4
116.92858	18.9
127.20695	11.7
136.23892	11.9
146.48022	12.8
154.06950	11.9
175.02426	16.6
207.10327	15.7
209.11890	100.0
210.12149	28.6
225.11293	17.9
255.23257	86.1
256.23572	33.4
273.42447	11.5
308.65381	13.9
397.13596	38.0
398.13983	22.7
607.24817	15.4
864.49243	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	925.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	19.1
71.51746	2.5
73.02927	3.8
78.12486	2.0
85.02971	3.1
87.00865	3.0
88.67305	1.7
89.02452	11.0
97.02995	2.5
97.26746	1.8
100.82377	1.8
101.02460	11.3
113.02428	6.8
116.92873	4.2
119.03521	3.6
125.02447	5.8
143.03474	2.1
161.04575	4.1
168.79440	2.0
169.12329	5.8
179.05583	3.5
179.35237	1.8
197.11830	100.0
198.12198	4.2
203.99278	1.7
215.67792	1.8
217.07295	2.8
221.06696	2.1
235.08246	3.7
255.23282	63.2
256.23602	2.4
279.22946	1.7
379.12451	13.9
381.60269	1.9
397.13504	45.5
398.13519	2.7
415.14548	7.9
577.24969	9.5
595.25726	5.6
635.36823	3.5
651.93213	2.0
653.37378	9.9
833.48798	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	923.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03201	3.4
70.74249	3.9
70.74609	10.5
71.01373	12.2
75.31971	3.5
85.02950	3.6
87.00883	5.3
89.02451	14.3
96.96028	4.1
101.02437	12.5
108.54761	3.6
113.02455	6.1
116.92823	6.2
121.02967	7.3
125.02415	4.9
157.46698	3.6
161.04390	3.7
165.12950	4.1
175.02444	5.3
209.11810	12.1
215.82872	3.6
227.12878	100.0
234.22884	3.7
255.23279	34.7
277.21710	12.4
338.80615	3.6
379.12555	11.2
397.13522	35.6
415.14728	4.7
503.75995	4.3
607.26196	9.7
653.37805	10.0
669.91400	4.2
863.48895	5.0
923.48999	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	923.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	21.9
83.01390	6.7
85.02924	6.5
87.00857	10.5
89.02434	18.9
98.19862	15.4
101.02463	18.8
113.02440	15.3
169.12302	9.7
197.11845	100.0
198.12057	7.1
209.11725	8.7
209.87718	6.1
227.12881	43.2
235.08203	10.5
255.23083	9.7
277.21695	45.3
379.12402	20.4
397.13538	52.3
406.34335	5.6
415.14481	10.1
443.41196	5.7
577.24915	21.7
595.26105	11.1
675.36316	7.4
834.41119	7.0
855.47656	7.8
882.12213	6.4
923.47369	44.0
924.48132	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	923.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	17.1
71.37378	1.4
72.99320	1.6
73.02947	2.5
80.02681	1.2
81.03452	2.2
83.01390	2.2
83.05019	4.0
85.02968	3.5
86.83708	0.6
87.00862	4.5
89.02448	10.1
90.95034	0.6
95.01369	1.3
97.02950	3.0
99.00874	1.4
99.92593	0.8
101.02442	10.0
113.02455	7.6
116.92855	6.6
117.92878	1.9
119.03499	4.1
125.02456	6.2
125.06104	0.8
131.03482	0.8
143.03522	1.8
161.04570	3.4
163.11275	3.1
165.12848	1.9
179.05573	2.5
181.12492	0.8
191.10800	0.9
199.51393	0.8
207.10243	0.7
209.11819	100.0
210.12146	4.7
217.07243	0.9
221.06642	1.6
225.11394	1.2
227.12880	11.8
235.08211	5.8
240.15175	0.8
253.09302	1.2
255.23286	59.8
256.23602	4.0
269.24826	1.2
287.07635	1.2
305.08719	1.6
320.60168	0.8
323.09866	1.7
379.12408	13.2
380.12576	1.1
397.13489	42.4
398.13919	3.1
415.14609	7.4
589.24945	2.5
590.23029	0.7
607.25775	2.4
635.36493	2.7
653.37549	5.7
654.39075	0.8
678.45007	0.9
816.94757	0.8
863.49243	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	923.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	23.7
88.98804	29.9
89.02433	21.6
97.02951	6.5
101.02437	12.8
113.02489	14.0
115.92110	6.5
116.92844	12.7
119.03511	6.6
125.02428	7.1
197.11833	100.0
209.11816	9.8
227.12801	18.6
251.87950	6.9
255.23265	14.3
277.21716	59.6
278.22360	7.4
379.12537	18.8
397.13495	65.0
415.14420	9.0
577.25049	15.2
675.36017	17.0
823.44958	7.4
855.47388	14.4
856.49011	8.1
923.48193	40.2
924.48859	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	923.319
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01890	0.5
83.01399	0.9
94.70506	0.5
97.02972	0.6
98.19865	1.2
107.01385	0.7
109.02943	1.5
119.05028	0.7
121.02949	1.2
125.02467	1.2
133.01959	0.5
133.02959	10.4
135.04520	1.8
137.02502	0.6
146.24673	0.4
147.04506	0.9
149.02440	1.8
151.00356	0.5
151.04030	0.4
161.02466	1.3
163.00357	1.3
163.04030	1.7
165.01901	2.5
173.02383	0.5
175.00230	0.4
175.04002	2.9
177.01953	0.7
185.06000	0.5
191.03529	1.8
193.01500	1.0
199.03972	1.4
201.01898	1.2
206.22980	0.4
215.03438	0.7
217.04887	0.5
221.04466	0.4
225.05507	0.6
240.04181	0.6
241.05022	0.7
243.02887	0.5
253.05098	1.0
255.02908	1.0
255.06602	0.7
269.04507	1.2
271.05997	0.4
284.00333	0.4
284.03268	8.3
285.04080	5.8
286.04276	0.4
297.04053	14.2
298.04810	8.4
299.05576	16.4
300.05988	1.9
309.03998	0.7
311.05554	2.8
325.03723	0.5
327.05081	93.2
328.05432	8.1
329.05643	0.8
339.05011	3.5
341.06604	0.6
355.04486	0.5
357.06128	24.3
358.06430	2.7
369.06091	2.6
371.20685	0.7
393.06213	0.9
411.07425	0.6
447.09311	100.0
448.09601	10.3
449.09851	1.3
475.08768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71101	12.4
71.80190	11.8
99.92603	14.8
107.15963	12.3
116.92850	100.0
168.93063	11.3
186.20081	13.0
223.13470	16.5
229.45474	15.8
259.15622	15.8
314.86172	17.3
352.71893	12.5
392.63791	12.7
397.13232	15.0
399.02936	13.2
879.14374	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	921.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87325	3.8
71.01385	10.6
71.50492	5.1
71.50854	3.6
88.31607	3.7
88.98844	4.4
89.02456	11.2
96.96014	13.9
101.02453	8.1
104.09669	4.4
108.73460	3.4
113.02515	5.2
114.13719	3.5
125.02404	6.0
133.97397	3.4
175.02527	6.9
182.26997	3.9
209.11836	4.2
214.05908	3.8
217.88217	3.5
227.12871	100.0
228.13268	6.4
265.14728	12.7
266.15067	5.3
267.14380	7.2
277.21786	30.4
289.07330	5.1
379.12427	5.3
397.13437	41.4
415.14813	9.3
607.26239	12.8
625.26294	4.7
675.35303	5.2
849.59509	4.9
885.48486	12.0
921.46027	46.5
922.47821	8.1
926.34521	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	921.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64574	3.0
68.42758	2.8
71.01383	8.5
71.51561	4.0
75.73801	2.6
89.02453	3.4
97.11562	3.1
101.02480	5.9
113.02461	4.4
115.00385	4.7
116.92873	4.4
120.73761	3.0
125.02446	4.3
165.01891	4.3
165.12770	3.7
175.02502	5.5
179.05649	5.7
209.11774	4.7
224.68237	2.9
227.12881	100.0
235.08379	5.1
277.21649	22.6
307.62366	3.6
386.77304	3.1
397.13452	31.0
415.14578	7.8
550.56329	3.1
571.06616	3.4
607.25848	13.5
625.27563	8.9
885.48401	6.1
921.46191	41.6
922.46619	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	921.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10133	6.0
71.01389	34.4
71.51132	7.1
71.51539	9.8
72.99315	7.8
75.00831	8.0
79.19125	6.3
87.00881	35.0
89.02431	9.6
94.64542	7.0
101.02476	13.8
113.02445	10.1
115.00369	55.7
119.03529	8.5
175.02486	100.0
209.11803	74.4
210.12187	8.6
227.12894	22.6
255.23247	15.2
277.21719	53.2
277.82248	6.9
278.22223	11.8
324.21072	7.4
387.17847	6.9
397.13251	55.6
594.07471	7.3
636.42896	7.4
885.48047	16.3
921.47009	48.8
922.47491	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	921.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23164	3.9
71.01376	0.9
72.39323	0.6
79.01913	0.9
83.01402	0.8
88.75680	0.5
93.03467	0.8
95.01831	0.6
98.20604	0.8
101.02422	0.8
109.02953	2.2
113.02486	0.5
118.50133	0.5
119.04977	0.9
121.02935	1.4
125.02464	2.2
133.02940	9.8
135.04510	0.9
137.02380	0.7
143.03456	0.6
143.61411	0.6
147.04482	1.1
149.02448	1.3
151.03961	0.8
161.02412	1.8
163.00349	1.6
163.03999	2.9
165.01907	1.9
175.04094	2.5
177.01912	1.2
179.03299	0.7
191.03493	1.2
193.01295	1.3
199.03996	0.9
201.01897	1.2
213.05573	1.3
217.05182	0.5
225.05576	0.6
240.04253	1.0
243.06863	0.6
253.05032	1.2
255.06622	0.7
256.03790	0.7
269.04507	0.8
281.04315	0.6
284.03275	8.9
285.03986	7.4
289.07056	0.6
297.04037	15.0
298.04709	8.1
299.05566	15.8
300.05881	1.3
309.03897	0.8
311.05634	2.7
325.03525	0.8
327.05072	98.2
328.05453	7.9
329.05664	0.8
339.05002	2.8
341.06711	1.1
357.01678	1.2
357.06140	25.6
358.06299	1.5
369.06195	2.4
393.06253	0.9
429.17664	1.4
447.09293	100.0
448.09625	8.9
449.09702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23164	3.9
71.01376	0.9
72.39323	0.6
79.01913	0.9
83.01402	0.8
88.75680	0.5
93.03467	0.8
95.01831	0.6
98.20604	0.8
101.02422	0.8
109.02953	2.2
113.02486	0.5
118.50133	0.5
119.04977	0.9
121.02935	1.4
125.02464	2.2
133.02940	9.8
135.04510	0.9
137.02380	0.7
143.03456	0.6
143.61411	0.6
147.04482	1.1
149.02448	1.3
151.03961	0.8
161.02412	1.8
163.00349	1.6
163.03999	2.9
165.01907	1.9
175.04094	2.5
177.01912	1.2
179.03299	0.7
191.03493	1.2
193.01295	1.3
199.03996	0.9
201.01897	1.2
213.05573	1.3
217.05182	0.5
225.05576	0.6
240.04253	1.0
243.06863	0.6
253.05032	1.2
255.06622	0.7
256.03790	0.7
269.04507	0.8
281.04315	0.6
284.03275	8.9
285.03986	7.4
289.07056	0.6
297.04037	15.0
298.04709	8.1
299.05566	15.8
300.05881	1.3
309.03897	0.8
311.05634	2.7
325.03525	0.8
327.05072	98.2
328.05453	7.9
329.05664	0.8
339.05002	2.8
341.06711	1.1
357.01678	1.2
357.06140	25.6
358.06299	1.5
369.06195	2.4
393.06253	0.9
429.17664	1.4
447.09293	100.0
448.09625	8.9
449.09702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68962	2.7
67.07340	2.8
68.71805	2.9
71.01388	34.7
72.01698	2.5
72.99302	7.3
78.95889	3.1
83.01382	7.8
85.02940	8.0
86.51887	2.7
87.00391	4.5
87.00871	35.0
88.98795	6.7
89.02448	14.1
97.02940	7.2
99.00887	8.0
101.02444	16.2
108.46443	2.9
109.02853	2.8
111.00887	4.6
113.02457	15.8
114.05661	3.2
115.00372	58.7
119.03513	5.1
125.02424	5.7
139.00330	5.2
143.03539	3.6
157.01492	7.1
161.04642	4.1
163.11295	4.1
175.02467	100.0
176.02876	3.1
179.05600	5.0
181.12398	5.3
183.10182	6.5
193.12299	4.2
195.13733	4.1
201.11296	6.4
207.10257	13.7
209.11803	10.7
211.13446	3.6
221.11725	3.9
225.11337	34.1
235.08102	3.2
239.12866	12.6
243.12344	10.9
255.23256	19.4
259.15491	70.4
260.15884	40.4
261.16028	12.5
262.60864	2.9
277.21710	49.5
278.22180	18.4
279.22458	4.7
379.12509	6.9
397.13556	31.5
398.13953	6.4
415.14429	6.8
416.14526	4.3
605.24518	10.4
623.25775	6.3
743.37964	3.1
765.44220	6.1
783.44806	3.4
823.44971	5.1
883.46899	56.7
884.47253	11.1
897.82239	3.1
901.47729	4.9
919.45313	50.2
920.46057	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	919.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23298	1.5
73.02933	0.7
77.03984	0.5
81.03412	0.5
93.03465	0.4
95.05039	0.4
96.43598	0.4
97.02961	0.6
101.02429	0.7
105.03461	0.7
107.35232	0.4
109.02958	2.0
113.02442	0.5
119.05024	0.7
121.02921	1.5
123.04525	0.4
125.02429	1.5
133.02956	11.5
135.04523	0.8
137.02431	0.7
147.04523	0.8
148.01631	0.5
149.00938	0.5
149.02420	1.4
151.00362	0.4
151.04063	0.7
161.02417	1.3
161.09683	1.5
163.00389	1.4
163.04036	2.5
165.01933	1.5
167.15627	0.3
173.02455	0.6
175.04010	2.6
177.01933	1.4
179.03473	0.5
179.10785	4.4
189.01910	0.5
191.03500	1.4
193.01372	1.2
199.04019	1.3
201.01910	1.3
205.12317	0.9
211.04033	0.8
213.05579	1.1
215.03506	0.4
217.04959	0.4
223.13408	0.5
225.05540	0.7
227.03413	0.4
229.01511	0.5
229.04979	0.5
237.05492	0.4
240.04387	0.6
241.04942	0.7
253.05099	1.3
254.05696	0.4
255.02975	1.1
255.06577	0.9
257.04535	0.5
257.80795	0.4
269.04666	0.9
271.06024	0.7
279.02975	0.5
281.04501	0.4
284.03265	9.4
285.04028	7.5
286.04401	0.6
297.04053	15.3
298.04810	8.3
299.05600	16.9
300.05713	1.0
309.04095	0.8
311.05536	2.0
324.02698	0.5
325.03513	0.8
327.05099	99.1
328.05432	7.5
339.05176	2.8
341.06699	0.8
357.06174	24.8
358.06335	2.2
369.06180	2.0
393.06036	0.9
427.19821	0.5
447.09341	100.0
448.09692	9.9
607.94781	0.4
608.06409	0.4
627.66089	0.4
882.93744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53756	100.0
71.01382	30.8
78.34492	13.1
89.02483	23.2
96.96022	35.5
114.05642	22.8
115.00345	15.7
143.61966	14.6
154.72963	13.8
170.69336	14.5
175.02443	25.7
197.11943	18.0
198.12228	15.5
201.11459	21.7
209.11876	27.3
259.15530	38.7
277.21732	30.2
279.23196	21.5
397.13596	18.9
404.11508	16.5
441.89243	16.4
773.09656	17.8
832.64459	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	918.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53756	100.0
71.01382	30.8
78.34492	13.1
89.02483	23.2
96.96022	35.5
114.05642	22.8
115.00345	15.7
143.61966	14.6
154.72963	13.8
170.69336	14.5
175.02443	25.7
197.11943	18.0
198.12228	15.5
201.11459	21.7
209.11876	27.3
259.15530	38.7
277.21732	30.2
279.23196	21.5
397.13596	18.9
404.11508	16.5
441.89243	16.4
773.09656	17.8
832.64459	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	917.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.7
71.01385	11.3
72.99305	1.0
73.02936	1.5
75.00867	0.5
78.45718	0.4
78.95911	0.4
81.03437	0.6
83.01383	1.3
83.05014	0.5
84.02172	0.4
85.02961	3.0
87.00875	2.8
89.02454	8.4
95.01390	0.9
96.95986	0.5
97.02964	1.7
98.20651	1.3
99.00873	0.5
101.02441	8.7
107.50600	0.3
111.04511	0.3
113.02447	4.8
114.05593	0.3
119.03484	1.8
121.02979	0.5
123.04532	0.3
123.88095	0.3
125.02454	4.1
125.09772	0.5
127.11297	1.5
139.04033	0.5
139.11278	0.7
143.03514	1.7
155.10779	1.1
157.12306	0.8
161.04576	2.0
163.11255	0.4
165.09203	0.8
165.12840	1.3
175.02437	0.4
179.05565	2.3
181.12352	0.6
183.10254	4.5
185.11786	0.3
191.10797	0.7
201.11290	1.3
209.11818	13.2
217.07141	0.4
221.06644	0.8
225.11394	0.5
227.12906	2.0
229.48343	0.5
235.08220	3.1
241.14424	0.7
253.09239	0.5
259.15491	100.0
260.15802	5.2
263.07715	0.3
277.21722	31.5
278.22131	1.9
287.07663	1.1
305.08820	1.4
319.22916	0.3
323.09933	0.7
379.07874	0.4
379.12473	2.8
397.13504	27.1
398.13718	1.6
415.14609	8.4
416.14896	0.8
480.36871	0.4
490.56830	0.3
491.71939	0.4
519.37073	1.0
639.28662	1.1
657.29266	2.0
675.35962	1.0
790.86377	0.3
917.50964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22380	15.3
69.22802	30.0
71.01369	19.1
72.64694	5.6
72.94398	4.8
89.02438	24.6
89.62238	5.9
89.91163	4.7
92.92760	5.5
96.96019	8.7
101.02438	15.6
113.02481	5.4
116.92876	4.7
125.90385	4.4
136.89114	4.8
143.03496	6.1
161.04593	7.8
178.21008	4.6
179.05571	5.9
191.83150	5.6
195.13860	9.5
215.08849	5.8
221.45331	4.9
223.13377	100.0
235.08128	5.6
277.21771	62.3
278.21817	6.1
379.12283	18.0
389.41165	5.0
397.13455	86.7
415.14532	13.4
489.30219	6.0
603.26465	13.1
621.27893	15.1
675.35773	8.1
830.19293	5.9
881.48785	27.3
917.46838	59.3
918.46887	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	917.474
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	14.8
71.51020	2.7
72.99297	2.7
73.02966	1.6
73.88126	2.0
85.02977	2.9
87.00872	4.9
89.02440	9.2
99.00885	1.7
99.36703	1.5
99.75122	1.7
101.02444	7.0
105.58082	2.0
113.02415	4.9
116.20847	2.1
116.92858	5.0
119.03493	2.5
125.02405	5.5
125.09698	2.0
133.16623	2.0
137.02452	1.9
141.12781	2.0
160.33401	1.8
160.34735	2.4
161.04538	2.7
171.10266	9.0
179.05594	2.1
197.11845	8.2
199.09676	3.0
201.11409	2.0
207.93198	2.3
213.11266	4.0
215.12874	100.0
216.13057	2.5
221.06720	1.6
235.08189	2.8
238.92337	1.8
241.10835	3.2
253.09233	4.1
277.21698	34.5
397.13391	13.4
415.14499	6.7
459.48248	1.8
562.41431	2.0
595.25812	4.3
595.87762	2.2
613.27167	6.4
699.48846	2.1
715.98669	2.0
917.47192	25.8
918.47833	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	915.51
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01413	18.7
71.50787	22.6
74.13025	14.9
75.19295	14.9
75.45688	16.3
75.78257	14.9
83.79128	13.6
86.50746	13.6
97.35865	15.2
115.13596	13.9
117.33786	13.6
126.03938	19.6
136.10330	14.0
172.12538	14.9
211.13330	96.8
255.23309	57.6
283.38144	14.5
337.74002	14.8
344.87881	13.6
379.12677	17.1
397.13525	68.1
457.36911	19.8
468.54108	17.8
591.26886	18.4
626.71826	17.5
847.50568	18.4
915.50226	100.0
916.50043	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	915.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51476	2.7
71.01387	15.8
72.99281	1.4
73.02937	1.9
76.49375	0.9
81.03403	0.9
83.01375	1.4
85.02947	4.6
87.00873	5.0
87.89707	1.1
89.02451	12.4
97.02950	2.1
98.99236	1.0
99.00883	2.4
101.02437	12.0
113.02457	6.9
116.92860	1.8
119.03459	2.4
125.02415	6.5
143.03505	1.7
144.08717	1.0
153.12811	1.2
161.04500	2.7
169.12349	2.2
179.05557	3.9
197.11835	100.0
198.12115	3.6
217.07253	1.6
235.08211	5.3
239.12697	1.3
239.97182	1.0
251.71999	1.0
255.23296	3.3
277.21729	49.6
278.22025	4.3
287.07584	1.7
305.08807	2.4
323.09821	1.5
379.12482	11.7
397.13501	40.1
398.13815	2.7
415.14621	6.5
416.14722	1.3
436.87054	1.0
467.59256	1.1
508.83484	1.1
577.24951	4.4
578.25323	1.4
579.69153	1.1
595.26086	6.1
657.34497	1.2
667.12396	1.1
675.35431	1.7
908.67206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	4.5
71.01003	2.3
71.01381	31.4
71.05003	2.4
72.99310	4.0
73.02941	4.2
75.00871	13.4
81.03459	2.1
83.01398	4.2
83.05019	3.8
85.02935	7.6
87.00401	1.6
87.00881	18.2
89.02444	16.2
95.01354	1.7
96.95991	1.5
97.02943	4.6
97.06610	1.8
98.19879	4.6
99.00898	3.2
101.02447	16.0
111.08139	1.7
113.02474	8.3
115.00372	16.5
116.42622	1.4
119.03497	3.4
121.02935	1.3
121.94707	1.2
122.88328	1.3
123.04483	2.3
123.08111	1.3
125.02416	4.7
125.09705	2.4
127.04012	2.9
128.57358	1.6
139.03964	1.4
151.11299	2.7
154.87932	1.2
161.04529	4.6
161.09718	2.7
163.11275	3.8
165.12827	3.3
169.05099	2.3
169.12448	1.3
171.10262	9.8
171.78989	1.2
175.01021	2.2
175.02477	32.1
179.05634	2.6
179.10724	7.0
181.12402	2.7
191.10736	1.5
191.14491	1.4
195.13908	7.3
197.11821	66.9
198.12144	2.3
205.12167	1.9
207.10173	2.9
209.11823	50.2
210.12221	2.4
211.13420	4.1
221.06654	3.0
223.13409	4.6
225.11238	3.0
227.12820	7.6
235.08252	3.7
237.30771	1.3
241.10773	2.0
243.26823	1.5
245.19125	2.7
251.12840	2.0
253.09222	4.4
263.20117	1.5
275.20126	3.5
285.13446	4.1
289.18063	14.3
293.21243	22.3
294.21539	2.5
307.19180	17.0
352.38553	1.4
397.13455	16.5
415.14590	6.3
503.21021	1.6
521.22095	2.0
607.26074	1.6
637.56268	1.4
795.42145	3.0
797.43250	18.0
798.43768	3.9
837.43738	2.7
915.45911	100.0
916.46417	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	915.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	0.4
65.16877	0.2
71.01388	0.2
71.29479	0.4
85.02956	0.3
101.02427	0.2
107.01371	1.1
108.02188	0.6
109.02946	2.8
110.79476	0.2
113.02401	0.3
121.02972	0.6
123.04504	1.5
125.02418	0.7
133.02950	0.5
135.00894	0.4
137.02411	0.3
147.04480	0.5
148.01704	0.4
149.02386	0.3
150.03165	0.3
151.00363	4.3
151.03998	1.0
159.04556	0.3
161.02423	1.1
163.00362	0.9
163.03923	0.4
175.04053	0.2
177.01945	2.5
178.99850	3.4
185.82828	0.3
187.04025	0.5
189.01926	4.8
190.02707	1.4
190.99777	0.4
191.03546	1.8
191.05312	0.4
198.03221	0.5
199.04019	0.7
203.03462	0.7
215.03569	0.5
216.00667	1.0
216.04247	0.3
217.01408	4.5
218.02063	0.3
219.02948	1.7
226.02724	2.9
227.03525	2.2
228.04158	0.3
231.03084	1.6
232.03542	0.3
243.00430	0.5
243.02957	9.9
244.03400	0.8
254.02202	3.3
255.02969	6.4
256.03522	0.6
267.07111	0.3
271.02469	41.3
272.03015	3.5
273.03613	0.3
289.07108	0.7
297.07663	0.3
300.02753	50.1
301.03430	14.4
302.03748	0.9
341.06653	12.0
342.07065	1.0
343.04593	0.5
360.11444	0.3
373.05649	0.2
424.06760	0.2
431.09396	0.3
447.54227	0.2
451.10333	15.1
452.10669	2.3
463.08810	100.0
464.09082	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	914.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51062	100.0
165.25020	64.1
243.97757	60.4
264.28616	57.2
318.46005	65.9
551.35248	65.9
914.48438	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	915.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.8
69.03442	1.8
69.61674	2.7
69.62077	7.9
71.01398	1.7
83.01392	3.9
93.03460	15.0
95.05031	2.0
97.02944	2.1
109.02947	17.3
111.04500	1.9
119.05024	10.9
121.02956	1.8
122.03783	1.7
123.04531	11.1
125.02444	100.0
126.02771	1.7
133.02911	3.9
135.04488	2.7
137.02440	22.3
139.04044	2.1
149.02486	3.8
151.04010	13.7
155.03531	2.2
159.04498	2.4
161.02438	27.1
161.06047	3.7
163.00311	1.7
163.03995	11.2
164.01138	2.4
165.01895	4.5
167.03468	4.3
173.04556	42.5
173.06041	2.8
175.04018	11.7
177.01982	6.7
179.03418	5.5
187.03951	7.2
188.04716	4.4
189.05559	2.2
191.05594	8.2
201.05658	2.1
202.06371	1.8
203.07158	10.7
205.01379	2.8
205.05003	6.7
209.40253	1.6
211.50760	1.4
213.05569	1.6
215.03508	1.8
227.03452	1.9
229.05025	2.1
231.03246	1.6
243.03070	2.8
245.04503	8.6
245.08221	14.7
247.06252	2.2
255.02968	10.4
256.03738	5.3
257.04398	2.5
271.06128	1.9
272.06631	1.5
273.04062	4.6
281.04523	4.3
283.02469	2.2
285.04059	4.4
287.05652	11.0
289.07178	63.6
290.07413	3.5
297.03864	2.3
299.05542	6.3
337.09332	10.7
339.08603	4.2
381.09872	2.3
392.31232	1.6
407.07703	69.2
408.08038	5.7
425.08774	72.2
426.09204	7.4
427.22565	1.5
451.10373	20.3
452.10318	2.2
495.32083	1.6
540.99854	1.5
559.12396	4.0
577.13489	46.2
578.13690	6.6
939.10956	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	913.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	23.3
72.71645	1.5
72.99277	1.8
73.02939	5.4
83.01379	2.9
85.02958	6.6
87.00884	6.0
88.87543	1.8
89.02444	17.5
95.01333	1.7
97.02946	4.2
101.02438	17.6
113.02466	12.0
117.04640	1.9
119.03516	4.0
125.02451	11.6
139.04097	2.3
143.03476	3.4
151.11313	2.3
161.04564	4.2
167.10779	3.3
175.02449	3.2
177.09174	14.1
179.05615	5.3
195.10263	72.1
196.10550	2.8
217.07007	2.7
221.06615	2.0
230.43108	1.7
235.08189	7.1
237.15027	3.2
255.23271	26.5
277.21710	100.0
278.22049	5.8
287.07877	3.1
288.55539	2.0
305.08783	2.8
323.10052	3.3
372.88446	1.8
379.12466	17.0
380.12921	2.6
397.13486	66.9
398.13876	4.5
415.14587	13.6
497.01685	1.5
575.23450	2.8
657.33777	2.0
675.36066	2.9
778.53516	2.0
853.45776	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	913.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	2.5
69.54861	1.8
71.01385	31.2
72.99312	3.6
73.02956	5.0
83.00810	1.8
83.01370	2.8
83.29446	1.8
85.02952	8.0
87.00869	8.6
88.98797	2.3
89.02447	23.5
95.01385	3.5
97.02940	5.4
98.20778	4.2
99.00839	2.3
101.02451	23.7
113.02467	14.0
116.92887	4.3
119.03480	7.1
125.02445	9.2
131.03476	2.1
133.10274	2.6
143.03464	4.1
149.09674	2.7
151.11336	2.5
153.93503	2.2
161.04518	5.7
167.10751	5.1
175.02490	2.5
177.09244	10.3
179.05579	5.4
195.10255	93.1
196.10547	4.9
221.06709	3.4
229.57799	2.4
235.08176	9.5
237.14899	18.1
255.15858	2.3
255.23308	22.2
277.21710	100.0
278.22067	8.4
287.07504	4.9
305.08670	3.5
379.12445	20.9
386.25479	2.0
397.13455	72.3
398.13760	3.6
415.14523	17.2
467.90225	2.1
511.86246	2.0
575.23358	6.4
593.24695	9.5
657.35132	3.3
675.36365	3.5
763.06567	3.0
813.94806	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	910.428
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06253	31.7
63.66948	33.4
64.40200	35.1
87.85216	33.6
98.20657	100.0
106.94079	36.2
116.92837	46.0
126.11463	36.0
211.13416	43.4
223.13326	59.5
244.16495	34.2
296.33801	39.1
307.81329	36.0
338.80664	34.5
375.64636	37.4
589.19769	44.8
715.81927	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	913.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	3.6
70.63641	2.3
70.63979	4.0
71.01383	30.1
72.99306	4.8
73.02956	3.0
75.00880	13.6
76.65900	1.8
83.01389	3.7
85.02941	5.0
87.00876	43.3
87.01384	3.3
89.02429	10.0
94.29370	1.7
96.96040	2.2
97.02966	3.5
97.06637	2.1
101.02454	9.1
109.03021	2.2
111.08165	4.3
113.02464	6.1
115.00384	56.4
123.04494	2.3
125.02434	5.0
125.09742	4.4
129.01924	2.2
131.08275	2.2
135.03036	1.8
151.04018	2.0
151.11328	2.1
153.12967	2.0
157.01352	2.0
167.10696	2.5
171.10260	10.3
175.02477	100.0
176.02814	2.7
179.10818	4.2
195.13838	5.8
197.11838	36.1
209.11787	5.3
211.13374	4.9
220.41055	1.8
221.06660	1.7
223.13399	6.3
225.11377	1.8
235.13429	2.1
239.12988	2.6
241.14471	2.4
247.20605	2.0
253.09245	2.5
255.23354	5.2
277.21805	2.0
285.13376	4.9
291.19687	31.5
292.20007	2.1
293.21240	6.9
364.68481	1.8
397.13565	9.3
406.37518	2.0
442.59082	1.8
604.82758	1.8
777.41113	1.9
779.41638	4.8
791.40466	2.0
795.41583	18.2
809.42175	2.8
835.41064	2.8
895.43384	4.2
913.44513	55.0
914.43890	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	909.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31673	2.3
69.34487	0.3
69.44533	0.3
71.01375	0.6
85.02942	0.5
89.03966	0.4
93.03436	0.5
95.05024	0.9
97.58603	0.3
103.05492	0.4
105.03468	0.6
108.02169	0.5
109.02950	16.5
117.03440	0.6
119.05021	0.6
121.02930	0.7
122.03798	0.3
123.03620	0.5
123.04517	9.3
124.04877	0.3
133.02963	2.4
135.00882	0.6
135.04439	0.4
137.02422	0.5
145.02931	1.5
147.04510	2.8
149.02376	0.5
150.03169	0.8
151.02876	0.4
151.04010	4.4
159.04501	1.2
161.02455	5.7
163.04031	0.6
175.03932	0.6
176.01117	0.4
177.01918	20.7
178.02258	0.9
187.03947	1.0
189.01918	40.8
190.02681	9.5
191.03488	9.8
192.03816	0.4
203.03513	5.2
204.03978	0.4
206.74461	0.3
216.00600	6.5
217.01395	34.4
218.01999	2.7
219.02956	13.8
219.04686	0.2
220.03285	0.5
227.07057	0.4
231.00621	0.6
231.02977	11.6
232.03493	1.1
233.04553	1.3
245.08278	0.4
281.04584	0.7
289.07062	1.4
297.07657	0.7
299.05319	0.4
323.05609	1.8
341.06625	79.7
342.07004	6.1
391.14072	0.3
401.43863	0.3
451.10327	100.0
452.10635	10.3
584.33179	0.3
909.43292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	5.4
71.01376	17.8
72.99313	2.1
73.02942	3.6
77.94080	2.3
78.40724	1.8
83.01353	1.8
85.02953	4.5
87.00884	4.2
88.98772	3.2
89.02456	16.1
97.02951	2.3
98.72935	1.7
100.37434	2.0
101.02443	13.2
113.02449	7.1
113.49701	1.7
116.92854	3.2
119.03481	4.9
121.73650	1.8
125.02427	7.5
143.03485	2.4
149.39284	1.7
161.04562	3.4
167.10754	2.9
172.19875	1.8
179.05627	6.5
179.14476	3.1
183.13910	10.0
193.12212	2.4
195.13939	11.0
205.12314	7.3
211.13382	100.0
212.13734	5.7
223.13390	86.5
223.15614	2.4
224.13766	4.7
235.08113	4.3
379.12314	7.7
397.13513	40.9
415.14508	7.0
501.25870	2.1
591.26630	9.8
603.26825	15.7
609.27777	12.6
621.27448	17.6
797.39929	10.8
815.41724	10.1
853.12579	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	905.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	6.1
70.58942	10.3
71.01381	16.9
85.02965	4.0
87.00887	4.0
89.02456	9.5
98.48713	4.4
99.00936	3.8
101.02473	10.3
113.02512	3.3
116.61775	3.8
131.54022	3.6
197.11865	34.4
209.11819	11.7
283.26392	45.0
679.10541	4.5
860.28534	4.8
905.33252	4.7
905.51154	100.0
906.51788	26.0
936.44684	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	905.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	1.0
65.00322	9.8
67.89870	0.9
71.01378	10.6
71.51732	1.2
73.02949	7.6
83.01410	5.0
85.02938	3.1
87.00857	1.6
88.98786	1.6
89.02447	3.1
93.03455	1.3
95.01402	1.1
101.02438	8.1
107.01392	16.0
107.21736	1.0
109.02932	3.4
113.02458	5.1
119.03518	1.2
119.05052	1.3
125.02424	9.4
130.39162	0.9
133.02969	1.4
135.04524	67.9
136.04837	2.4
137.02461	1.9
149.02478	1.6
149.04648	1.2
151.00363	100.0
152.00764	2.6
161.02434	3.2
161.04550	2.8
165.01811	1.2
169.01369	1.6
169.82597	1.1
177.01880	2.0
179.03473	1.1
189.12747	1.4
285.04077	7.3
286.04486	2.5
287.05603	71.8
288.05878	4.4
289.07211	2.3
327.04980	3.5
341.06454	1.3
357.06531	1.4
405.72696	1.2
406.70944	1.2
447.09299	4.3
448.09686	1.5
449.10852	89.5
450.11026	7.5
575.02368	1.3
774.12811	1.1
905.39813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	0.3
68.50449	0.3
71.01389	1.6
73.02930	0.6
77.03958	1.4
79.01896	0.8
81.55038	0.3
85.02955	0.5
89.02438	0.5
93.03457	1.5
101.02446	0.5
105.03471	0.9
113.02436	0.7
117.03471	6.6
119.05015	0.9
121.02950	1.4
135.00894	0.3
135.04549	1.7
138.06885	0.5
145.02959	0.4
148.01732	0.3
149.02443	1.8
153.09163	1.9
159.04526	1.6
161.02440	2.9
161.04568	0.4
163.00345	0.5
163.04028	2.7
165.01830	0.5
173.02499	0.5
177.01974	0.3
179.03493	0.5
191.03537	1.1
192.83475	0.3
193.01424	0.6
195.04471	0.3
203.03458	0.9
207.13728	0.4
211.07613	0.7
215.07091	0.6
224.04517	0.4
225.05408	0.4
225.14943	2.8
237.05370	0.4
239.07018	1.0
241.04903	0.4
260.15613	0.3
268.03809	2.2
269.04483	1.9
281.04520	2.5
282.05380	1.4
283.06116	41.1
284.06454	2.2
293.04550	2.0
295.06161	0.6
309.04071	0.4
311.05609	75.6
312.05875	5.2
314.04230	0.4
323.05685	3.0
324.05905	0.4
341.06686	7.7
342.06851	0.5
353.06824	0.5
369.19238	2.8
370.19556	0.4
387.20190	0.9
429.21295	6.2
430.21381	0.5
431.09808	100.0
432.10126	7.9
592.54230	0.4
666.37482	0.3
693.62567	0.4
711.04932	0.4
787.64209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.6
71.01383	20.8
71.49835	1.8
72.99316	2.1
73.02941	5.3
81.03445	1.8
83.01382	2.2
83.05028	3.8
85.02937	5.8
86.94856	0.8
87.00874	6.9
89.02451	18.7
95.01395	2.4
95.05058	0.8
97.02952	3.5
99.00874	1.4
101.02443	17.3
109.02952	3.0
111.00890	1.0
113.02435	8.4
116.92860	2.7
119.03486	4.3
121.02953	1.6
122.03727	1.0
123.04499	1.5
125.02458	9.2
125.06150	1.0
125.09727	1.9
127.11279	4.5
131.03531	0.9
135.08031	1.1
137.02426	5.6
139.04007	0.9
139.11246	0.8
143.03485	2.5
149.02490	0.9
149.04530	0.9
151.04034	1.1
154.97481	0.8
155.10730	1.3
159.04601	1.0
161.04570	5.1
163.11272	4.3
164.01201	0.9
165.01955	5.1
165.09264	0.9
165.12798	2.6
171.10211	2.9
179.03899	0.8
179.05591	4.6
181.12373	0.9
199.09718	2.1
201.11320	78.4
202.11635	3.5
203.07158	1.3
205.04958	0.9
207.10217	0.9
209.11826	100.0
210.12224	5.0
217.07198	1.3
221.06613	1.4
225.11266	1.2
227.12906	12.6
235.08232	5.8
249.15950	0.9
253.09209	1.0
277.21716	60.9
278.22089	4.9
287.07693	2.8
289.07233	2.4
305.08716	3.7
323.09766	1.9
377.91489	0.9
379.12366	8.7
397.13519	57.1
398.13550	4.1
415.14597	12.3
446.20410	1.0
504.95248	1.0
532.56860	0.9
581.24524	2.7
589.25177	1.3
599.25562	2.7
607.26111	1.9
675.35669	3.5
871.48273	2.4
903.50018	9.7
904.50696	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	901.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01408	10.8
89.02424	19.5
96.95985	13.6
98.19859	25.4
115.48934	11.4
197.11871	100.0
229.49055	12.6
255.23331	43.5
323.09985	9.7
379.12158	23.5
397.13574	48.9
403.37485	11.7
454.83273	12.8
577.25317	15.6
635.36359	12.3
833.48944	25.0
901.49792	86.0
902.48956	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	5.4
71.01387	15.9
71.04996	1.4
72.99295	2.0
73.02930	3.3
75.00853	3.8
83.01389	2.0
85.02938	4.1
87.00887	7.9
89.02435	7.8
90.28526	1.3
95.01385	1.7
95.05027	1.3
97.02969	1.4
98.20641	5.0
101.02439	8.6
113.02438	5.2
115.00375	8.8
115.25057	1.5
119.03526	2.0
125.02415	2.7
125.09699	2.4
128.09538	1.1
143.03545	1.4
149.09813	1.3
151.11307	1.4
156.13197	1.2
161.09689	3.8
171.10233	3.8
175.02469	14.5
179.10785	4.3
183.10239	2.1
197.11830	35.5
198.12112	3.0
209.11665	1.7
221.11684	1.2
223.09740	1.6
241.10883	1.7
247.09583	1.4
255.23381	1.9
259.18842	1.3
277.21689	3.5
279.23285	43.8
280.23608	3.6
282.48215	1.5
397.13416	5.8
406.61945	1.6
783.44904	6.4
901.48004	100.0
902.48267	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	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.1
69.53393	9.7
71.01385	19.5
72.99296	2.7
73.02933	3.5
83.01354	3.0
85.02946	5.4
87.00851	3.5
89.02451	14.4
95.01356	1.6
97.02927	3.9
97.06566	1.5
98.20621	3.1
99.00869	1.7
101.02448	11.3
110.26863	1.4
111.08144	1.5
113.02431	7.0
114.93385	4.7
115.00294	1.7
116.92887	1.5
119.03452	3.0
125.02433	4.7
160.15242	1.4
161.04475	1.8
165.12822	6.0
179.05592	2.0
183.13895	57.8
184.14259	2.3
195.13834	4.2
197.11867	2.3
209.11810	4.7
211.13391	5.3
221.06645	3.6
223.13344	3.4
227.12869	9.1
235.08305	1.7
275.20197	2.0
291.19620	2.9
293.21222	21.4
294.21390	2.8
309.20651	3.4
332.22794	1.6
397.13538	11.2
415.14368	3.7
475.19351	1.6
625.26691	3.4
752.75061	1.6
901.47961	100.0
902.48169	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	899.478
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96398	4.6
69.72062	13.1
69.72480	8.6
71.01380	16.5
78.91882	5.5
87.00874	6.8
89.02434	10.4
94.92528	7.7
94.98083	5.8
97.02945	4.4
101.02432	14.4
113.02448	4.6
118.64326	3.8
119.03493	3.8
125.02449	5.1
153.80258	4.2
161.43417	3.6
175.02396	5.9
209.11824	100.0
227.12958	25.1
235.08234	4.4
241.14450	4.8
255.23259	56.5
277.21719	5.8
305.08725	4.1
379.12363	16.8
397.13458	68.9
415.14435	11.7
427.33408	4.1
516.43414	5.0
589.24884	10.2
607.25739	12.3
635.35681	5.2
653.37512	17.0
689.94940	4.6
861.48804	8.7
863.48730	8.9
899.47772	77.0
900.47992	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	899.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11347	4.8
71.01373	13.8
71.51123	7.0
71.51501	7.0
74.21608	5.8
75.82804	5.5
78.95889	6.1
87.00829	9.6
89.02441	12.7
99.04549	6.2
101.02402	7.8
111.89474	5.8
115.00372	6.5
116.14392	5.7
122.63050	5.4
141.01630	6.5
175.02475	22.3
209.11833	13.2
227.12877	100.0
241.14388	22.8
255.23347	27.7
277.21591	14.4
311.01962	5.5
373.80167	5.9
379.12521	11.2
397.13489	48.7
442.74258	7.0
465.30753	5.6
607.25952	13.2
653.37085	17.9
863.50281	9.2
899.48022	66.0
900.48169	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	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	3.4
69.46178	0.5
71.01380	16.9
71.05019	2.0
72.99303	2.2
73.02933	2.9
75.00867	3.9
81.03466	0.6
83.01393	1.8
85.02940	4.1
87.00876	10.1
89.02445	7.9
95.01373	1.6
97.02947	2.3
97.06544	0.7
99.00898	1.3
101.02448	8.2
109.02938	0.9
113.02444	4.5
115.00374	12.2
115.03995	0.5
119.03489	1.6
123.04502	0.7
123.08149	1.0
125.02448	2.1
125.09707	1.8
127.04009	1.2
131.21747	0.5
143.03490	1.1
151.11234	1.7
153.12860	1.7
161.04507	1.0
161.09711	2.0
169.05077	1.0
169.12238	0.6
171.10271	4.0
175.02469	21.5
179.05621	0.7
179.10759	4.7
193.99001	0.5
197.11819	53.6
198.12178	2.1
214.23268	0.6
221.06677	1.9
235.08115	1.0
241.10883	3.3
253.09291	0.9
267.12396	0.7
277.21707	21.1
278.22076	2.3
285.13416	1.5
292.74710	0.6
297.13501	0.8
374.11670	0.5
397.13510	2.5
503.21658	0.8
548.31470	0.6
781.43634	3.6
782.43738	0.9
821.43469	0.7
839.45197	0.8
852.40509	0.6
899.46448	100.0
900.46814	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	899.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	5.2
71.01380	20.0
71.04738	1.7
72.99290	3.8
73.02935	2.0
75.00868	9.8
81.03457	1.2
81.12459	0.8
83.01375	1.9
85.02951	7.3
87.00887	10.0
87.34212	0.9
89.02446	9.8
95.01374	1.8
95.05016	1.2
97.02941	3.5
99.00865	1.8
101.02441	9.2
109.02961	1.6
113.02471	5.4
115.00380	15.4
119.03471	1.8
123.08151	2.3
125.02409	2.7
125.09715	2.9
127.00385	1.2
127.04008	1.6
135.02994	1.5
143.03494	1.2
151.11246	2.7
161.04436	1.2
161.09676	3.5
169.05049	1.2
171.10242	6.8
175.02475	28.1
176.02838	1.3
179.10776	6.6
182.36481	0.8
185.11826	1.0
197.11835	43.2
198.12160	2.1
211.81424	0.8
221.06621	1.3
231.05313	1.0
235.08179	1.6
239.12947	1.3
241.10829	2.1
253.09166	1.3
259.20627	1.0
267.12384	1.0
277.21719	46.6
278.22028	3.0
285.13342	2.4
288.54184	0.9
318.57111	1.1
397.13644	2.1
399.70056	0.9
413.42343	0.9
503.20889	1.5
779.42529	1.6
781.43817	14.6
782.44263	3.3
821.43176	2.7
899.46460	100.0
900.46802	21.1
932.53638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59892	2.1
69.03461	3.4
69.95121	1.9
71.01385	24.3
71.51496	3.4
72.99313	7.6
73.02953	4.7
75.00874	16.3
77.62270	2.2
81.03474	2.3
81.53853	1.9
83.01392	3.8
85.02947	6.6
87.00884	23.9
89.02442	5.4
95.02378	2.2
97.02939	5.4
97.82869	1.9
99.00880	3.4
101.02446	10.8
109.02943	5.2
113.02451	4.1
115.00374	38.5
116.00672	3.7
125.02424	3.0
127.04039	7.2
135.03004	4.5
143.03500	2.4
148.05328	2.9
161.04530	4.3
165.69104	2.2
169.12308	4.6
171.10269	9.6
175.02495	73.1
176.02811	8.7
177.02968	3.9
179.05760	2.4
185.09123	2.4
195.10223	2.3
197.11829	31.0
209.15593	5.2
209.93007	2.1
211.13521	2.2
217.65857	2.3
225.11378	2.2
235.08331	2.8
235.13271	4.1
241.14430	3.3
245.11726	11.4
253.09302	8.6
253.14383	5.1
263.12997	5.5
264.16385	2.1
267.12286	3.4
277.21719	100.0
278.22003	12.5
285.13434	5.5
289.10822	5.9
297.13419	3.7
523.59912	2.3
777.43787	5.7
779.42767	2.6
781.43829	84.1
782.43658	10.7
793.43982	8.7
803.42273	17.5
804.41913	3.6
811.45038	4.3
821.43280	28.1
822.43341	4.6
839.43921	4.6
899.45569	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	898.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	20.4
72.44363	2.1
72.99324	5.2
75.00880	2.3
85.02947	3.5
87.00883	38.9
89.02466	3.4
92.99968	2.1
101.02444	3.2
113.02487	2.3
115.00368	51.8
116.00660	3.1
125.02421	2.3
129.02054	2.7
135.02985	2.8
175.02477	100.0
175.04005	4.8
176.02806	10.9
177.47292	1.9
195.10156	2.7
209.11775	6.1
221.11795	5.1
235.08005	2.6
239.12866	4.1
253.09315	3.0
277.21765	22.5
278.22131	10.6
300.85794	2.2
320.73529	2.6
397.13577	4.1
880.43854	6.5
898.48694	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	899.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	1.3
71.01369	4.9
76.12463	0.5
85.02953	0.7
89.02428	2.9
93.03461	8.7
94.24400	0.5
98.20666	1.1
111.04523	0.7
117.02695	0.5
117.03444	2.6
117.08390	0.6
125.02473	0.9
132.02162	1.1
133.02960	23.8
134.03271	0.7
135.04523	9.2
135.50726	0.7
137.02455	4.9
155.03517	1.0
161.02443	100.0
162.02750	2.9
163.04070	0.7
166.05089	1.2
173.02469	1.1
173.04529	1.5
175.00395	3.4
179.03479	3.5
201.90112	0.6
210.04103	1.1
269.04486	1.1
281.04614	1.0
282.05612	1.3
283.06219	0.8
289.11932	1.1
290.12210	0.7
293.04593	31.4
294.04959	3.4
295.06049	0.9
311.05569	2.8
314.04501	0.7
323.05710	0.7
333.11029	0.6
334.11169	0.9
335.07739	74.0
336.08109	5.1
341.06668	1.4
403.05313	0.6
413.08823	11.9
414.09088	1.6
447.09335	0.9
563.14044	42.3
564.14471	5.1
653.97461	0.5
844.62671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53230	0.4
69.00539	0.4
69.03448	3.1
71.01385	15.0
71.05009	0.8
72.99312	1.2
73.02947	1.7
77.36591	0.3
81.03457	0.8
83.01395	1.5
83.05044	0.4
85.02955	4.5
85.06588	0.5
87.00880	4.0
89.02445	12.7
95.01395	1.3
95.05025	0.5
96.96012	0.6
97.02966	1.9
99.00872	0.9
99.04412	0.4
101.02441	10.2
109.06593	0.4
111.00917	0.4
111.08171	0.8
113.02444	5.9
119.03500	2.4
123.04503	0.4
125.02457	4.4
125.09695	0.4
141.01955	0.4
141.09282	0.4
143.03510	2.3
149.04535	0.6
149.09694	0.5
161.04567	2.9
167.10805	2.7
171.10310	0.9
177.12872	0.8
179.03380	0.4
179.05612	5.0
179.10760	1.1
179.14363	3.2
195.13905	13.8
196.14424	1.3
205.12332	7.5
217.07288	0.4
221.06619	1.6
223.13394	69.5
224.13689	4.5
225.14841	0.4
228.13609	0.4
235.08224	3.4
239.12839	0.6
253.09242	0.8
256.13193	0.7
263.07645	0.6
275.20184	6.0
276.20358	0.6
287.07764	1.1
291.19653	1.1
293.21231	100.0
294.21545	8.0
305.08801	1.4
317.21344	0.6
323.09903	1.0
327.21597	0.5
367.89420	0.4
379.12350	2.6
397.13495	32.3
398.13782	2.2
415.09064	0.7
415.14560	13.3
416.15244	0.6
499.34213	0.7
603.26685	4.7
621.27515	9.8
622.27979	1.3
673.34204	1.2
691.35211	2.6
897.48370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18966	0.5
69.03460	0.8
71.01384	11.8
72.99316	1.3
73.02957	1.6
79.59396	0.5
81.03439	0.9
81.59213	0.6
83.01389	1.7
83.04997	0.7
85.02926	2.6
87.00891	3.2
88.00445	0.7
88.98806	9.4
89.01930	0.9
89.02446	12.7
91.04056	0.6
95.01357	1.2
97.02947	1.1
99.00875	0.6
101.02440	9.2
102.02753	0.5
113.02449	5.1
115.04002	0.7
119.03526	2.6
124.69994	0.5
125.02438	3.8
143.03494	2.1
153.09268	0.5
155.10774	1.0
161.04521	1.6
163.11340	0.7
165.09158	0.6
165.12846	1.5
179.05565	2.8
183.10271	6.1
201.11320	0.9
209.11812	17.6
210.12114	0.9
221.06700	1.1
227.12878	1.6
235.08217	3.9
253.09381	0.9
255.23286	41.3
256.23651	2.9
259.15485	100.0
260.15817	4.9
287.07645	1.4
305.08771	1.6
323.09808	1.4
379.12411	4.4
397.13501	33.5
398.13806	2.5
415.14551	7.8
437.76743	0.5
497.38293	1.1
520.86578	0.5
639.28680	1.2
653.37531	2.5
657.30023	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	895.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69845	1.2
69.03430	4.1
70.02622	6.1
71.01379	19.9
72.99288	1.5
73.02953	2.1
81.03458	1.5
81.85643	1.2
83.01372	2.4
85.02935	4.7
87.00864	5.2
89.02444	15.3
97.02914	2.2
98.59740	1.2
101.02438	14.9
111.08166	8.1
113.02467	7.1
119.03492	3.9
125.02462	6.6
161.04512	3.3
167.10739	5.4
177.12823	1.7
179.05603	5.0
179.10745	2.7
179.14404	2.5
185.78969	1.3
195.13922	15.0
199.89999	1.3
205.12288	6.9
223.13387	77.2
224.13776	2.5
235.08217	4.5
247.20695	3.1
273.18497	1.7
277.21396	1.7
287.07870	2.6
291.19659	100.0
292.19897	6.5
295.66559	1.5
379.12244	4.3
381.26306	1.6
397.13501	38.0
415.14661	9.8
603.26422	5.4
621.27527	10.0
671.32819	4.4
689.33423	8.0
877.46466	2.9
889.08124	1.7
895.48462	1.9
903.33392	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	895.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26759	1.3
69.03448	4.6
70.97797	3.0
71.01382	17.8
71.05029	1.7
72.99307	3.7
73.02960	2.5
74.72504	1.3
75.00878	4.9
83.01382	4.6
85.02943	3.3
87.00883	10.1
88.98800	3.6
89.02449	11.9
95.05016	1.8
97.02927	3.3
98.46922	1.2
99.00905	1.5
101.02465	9.8
109.02956	1.4
113.02502	6.5
115.00382	12.4
119.03493	2.5
120.07867	1.2
121.02979	1.3
125.02428	4.6
125.09724	4.2
133.06380	1.5
147.04527	1.3
151.11253	1.5
153.12852	1.8
161.09734	2.3
171.10257	1.9
175.02490	22.4
176.02771	2.7
177.09384	1.4
179.10812	4.4
191.05614	2.2
191.10785	2.1
197.11842	43.2
198.12183	3.1
209.11818	5.4
221.06656	2.8
223.09801	1.6
241.10814	1.9
245.22705	1.3
253.09300	2.6
273.17072	47.0
274.17465	4.0
388.64267	1.5
397.13626	1.8
421.13361	1.5
642.26648	1.6
763.53711	1.4
777.39429	5.4
835.41101	1.5
851.36475	1.4
895.41785	100.0
896.42303	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	895.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45258	1.6
69.03452	5.7
69.85262	9.5
71.01392	20.0
72.99303	3.5
73.02954	4.9
75.00871	5.1
83.01373	2.5
85.02965	7.0
87.00880	7.2
88.98852	3.1
89.02448	11.2
99.00912	2.9
99.10933	2.0
101.02462	9.2
113.02450	6.1
115.00372	7.8
119.03482	2.9
125.02450	3.2
136.45486	2.0
138.15744	1.8
151.11258	2.3
161.09737	2.3
171.10294	2.1
173.00874	2.9
175.02505	15.7
175.03905	3.6
179.10750	4.8
191.05623	3.1
197.11835	54.0
209.11906	2.8
221.06583	2.9
241.10782	3.5
273.17047	54.3
274.17410	3.7
279.03503	1.9
777.39270	11.1
778.39575	2.1
895.41736	100.0
896.41351	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	895.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27011	2.3
70.27358	0.5
75.62901	0.6
92.62910	0.5
97.02933	0.7
98.20659	0.6
105.03426	0.7
107.21278	0.6
109.02961	1.6
119.05028	1.4
121.02980	1.2
125.02458	1.5
133.02963	11.2
133.03928	1.1
135.04539	1.4
144.73640	0.6
147.04572	1.1
149.02406	0.9
151.00407	0.6
151.04077	0.8
161.02437	1.0
163.00415	1.6
163.04079	2.9
165.01941	1.5
175.03993	2.2
177.01915	0.8
179.01018	0.6
184.14290	0.5
191.03503	1.8
193.01451	1.6
194.69754	0.6
198.03307	0.7
199.03995	1.3
201.01987	1.2
203.03427	0.7
213.05591	1.4
225.05554	0.7
226.15231	0.5
227.03441	0.8
240.04019	0.6
241.05014	0.8
253.04984	1.1
269.04477	0.8
281.04523	0.8
284.03271	8.1
285.03961	7.2
297.04041	16.5
298.04761	8.3
299.05569	16.8
300.05997	1.7
309.03894	1.0
311.05573	2.1
312.15128	0.6
325.03470	1.4
327.05084	100.0
328.05396	8.7
339.04987	4.0
340.05148	0.7
344.99451	0.6
357.06152	24.5
358.06485	2.0
369.06122	2.4
393.06299	1.5
397.54688	0.7
400.06763	0.6
447.09323	70.9
448.09644	10.1
652.32471	0.7
882.70294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07201	2.4
71.01379	16.9
71.51903	4.1
72.99297	3.1
75.00867	2.6
76.31499	2.8
81.03454	3.2
83.01416	2.6
83.05036	5.0
85.02971	4.2
87.00869	3.6
89.02425	8.8
89.66641	2.4
95.05047	3.7
97.06580	8.4
101.02431	8.4
109.06514	2.6
111.08083	3.6
113.02492	5.4
113.35052	2.4
121.85832	3.0
123.08209	2.9
125.09697	9.6
137.09703	3.7
146.87953	2.2
151.11261	7.4
163.11259	6.9
165.12811	10.5
167.10748	3.5
171.10300	2.7
172.01671	2.5
179.05681	3.4
179.10767	3.9
181.12334	9.3
185.11778	8.8
191.10713	4.2
191.14384	6.7
197.11806	9.3
197.82285	2.7
207.10274	3.3
209.11806	37.3
211.13438	3.8
221.11974	3.2
227.12897	6.1
235.08255	4.3
245.19067	19.0
253.09242	13.0
255.23303	4.1
263.20212	15.7
277.21646	8.2
289.18085	65.2
290.18292	4.0
297.33743	3.3
307.19159	100.0
308.19342	5.3
397.13446	12.0
445.20984	13.4
486.27316	3.4
542.99963	2.6
543.27985	8.3
567.66016	2.9
735.40027	3.8
822.03577	2.8
833.46265	3.1
893.46674	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	890.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01385	0.3
79.73680	0.1
87.00898	0.2
95.08599	0.2
99.92585	0.2
113.02455	0.2
116.92872	1.5
123.04607	0.1
142.59323	0.1
149.00946	0.4
164.01071	0.1
223.13464	0.6
224.13699	0.3
225.14084	0.2
229.11087	0.2
294.21860	0.1
399.13754	0.1
425.58798	0.1
545.11639	0.2
860.58044	0.2
890.46521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	5.7
68.09821	1.0
69.03453	1.2
71.01385	19.1
72.99287	1.2
73.02962	2.7
75.46698	1.2
78.95879	1.5
83.01382	2.6
85.02950	4.4
87.00882	5.0
89.02451	16.3
95.01412	2.3
95.40263	1.1
97.02956	4.2
101.02440	13.9
102.60162	1.1
113.02480	7.9
116.92838	3.4
119.03498	3.9
121.02962	2.6
125.02482	7.1
127.11295	2.3
143.03539	3.2
161.04529	4.5
165.01921	1.7
171.10266	100.0
172.10603	2.7
179.05615	3.4
192.04320	1.2
209.11777	3.2
221.06712	1.9
235.08244	7.8
253.09177	1.4
259.08340	1.5
277.21722	79.5
278.22021	5.7
281.24701	1.9
287.07779	4.2
305.08826	2.6
323.09787	1.6
329.23236	1.4
379.12451	14.9
397.13495	50.2
398.13678	2.6
415.14603	8.3
424.30072	1.6
551.23395	5.0
569.24524	3.1
657.34436	2.1
675.35956	4.1
815.51788	2.0
889.48419	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	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.5
70.52370	2.4
71.01384	14.0
72.99303	1.8
73.02959	2.3
78.95906	1.2
79.64574	0.8
83.01395	2.4
85.02966	4.5
85.94253	0.8
87.00879	4.8
89.02447	11.9
89.02950	1.3
95.01404	1.1
97.02961	3.2
99.00915	1.4
101.02453	11.3
107.97850	0.9
109.02988	1.0
113.02473	8.9
116.92861	5.4
119.03510	2.4
121.02962	1.7
125.02456	6.5
125.09709	1.7
127.11304	1.8
143.03452	2.1
153.09280	0.8
161.04564	4.7
165.01947	1.8
171.10269	100.0
172.10594	4.1
179.05565	2.9
199.06105	0.9
209.11786	2.0
217.07140	1.4
221.06601	0.9
235.08199	5.5
253.09354	1.2
262.26303	0.9
277.21719	59.4
278.22040	4.9
287.07773	1.5
288.28894	0.8
305.08881	1.7
323.09775	1.4
344.84805	0.9
379.12482	16.0
397.13480	39.5
398.13757	2.3
415.14600	7.7
431.35150	0.9
448.37750	0.9
551.23370	4.2
569.24921	4.7
657.35327	1.1
675.35736	1.8
689.32092	1.0
762.19373	1.0
816.52295	1.1
889.48376	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	888.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	48.3
67.99366	1.4
71.01374	6.5
71.52074	2.1
73.02934	2.4
85.02934	1.5
87.00898	1.6
89.02470	3.5
97.06562	1.9
101.02442	5.2
113.02435	3.6
125.09702	5.2
134.09770	12.1
151.11330	1.5
160.07657	2.0
160.11224	3.2
161.04666	2.3
162.10963	1.3
174.09216	3.1
186.09241	5.1
209.11754	3.2
235.08179	4.6
247.48030	1.5
250.35828	1.5
253.09251	6.8
277.21713	100.0
278.22058	8.5
281.24866	3.1
312.19531	2.1
317.24988	1.3
318.20630	5.2
330.20749	32.6
331.20758	1.4
348.22009	7.3
366.38327	1.5
852.48474	2.3
858.49786	9.4
859.50775	2.7
870.50238	6.5
888.51129	71.6
889.51508	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	888.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	21.1
70.99678	3.6
71.00047	1.8
71.01370	11.4
73.02930	3.1
83.01363	1.6
84.00887	1.9
85.02943	4.1
87.00887	1.7
89.02454	8.6
95.05034	1.9
101.02435	7.8
113.02427	4.8
118.92692	1.6
119.03526	3.3
120.08186	2.0
125.09699	6.1
134.09755	27.9
158.92313	1.5
160.07614	4.6
160.11224	4.2
161.04539	2.3
174.09203	5.7
179.05522	2.6
186.09192	7.4
204.13931	4.5
209.11813	14.5
225.11160	1.6
235.08127	1.9
253.09282	6.1
277.21707	58.1
278.22073	3.7
279.23376	1.6
281.24826	9.1
286.21738	3.0
304.19345	2.3
312.19583	5.4
318.20737	21.4
319.21146	1.8
330.20715	100.0
331.21042	10.0
348.21750	23.1
397.13470	7.5
566.29639	3.7
852.49475	2.5
858.50171	9.4
859.49432	2.8
862.87891	1.6
870.50024	11.4
871.50061	3.5
888.51099	98.6
889.51410	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	887.224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61595	3.6
69.62025	3.3
71.01377	3.8
85.02950	4.5
93.03460	11.9
95.78479	1.1
98.93264	1.1
108.02164	9.7
109.02950	26.3
111.04526	2.9
115.00365	4.9
119.05029	1.6
121.02902	2.8
123.04485	4.3
125.02410	1.5
127.03989	1.6
133.02953	3.1
135.04504	13.9
137.02429	2.4
145.02898	1.5
146.03807	1.6
147.04494	2.5
148.05246	3.4
149.06062	7.1
150.03268	1.1
155.03479	2.2
161.02417	1.7
161.06076	12.9
163.03998	1.8
163.07620	2.2
173.03131	1.9
173.04536	27.7
174.04840	1.3
175.03975	1.8
179.03548	4.8
180.79672	1.1
185.06023	1.2
191.05606	46.6
192.05937	1.8
205.05112	1.7
213.05530	1.9
241.05005	4.0
242.05817	41.7
243.06467	11.3
269.08173	5.0
271.09723	64.0
272.09985	5.0
283.05936	1.2
297.07669	2.2
299.76120	1.0
315.08655	2.3
341.06415	1.2
353.08731	3.5
359.07681	100.0
360.07974	8.6
423.10519	1.7
489.13965	2.3
521.10986	2.0
533.12970	38.9
534.13275	5.0
539.11774	1.5
713.17206	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	886.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98521	0.1
71.01385	0.3
78.95944	0.1
80.96539	0.1
83.12086	0.1
89.02438	0.2
94.58468	0.1
99.92558	0.1
101.02451	0.1
104.25581	0.1
116.92864	0.3
125.02413	0.1
128.03564	0.1
128.90163	0.1
129.01926	0.1
183.13945	0.1
209.11826	0.9
210.12216	0.2
277.21573	0.5
278.22092	0.3
279.23376	0.1
397.13681	0.3
398.13864	0.1
414.15894	0.1
695.62805	0.1
886.48773	0.1
887.49359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.225
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	3.9
68.44859	0.9
69.02672	1.2
70.37405	1.8
70.37794	2.5
71.01377	6.5
77.42379	0.8
83.05032	1.3
83.24628	0.9
85.02949	7.4
87.00869	2.2
93.03462	25.1
104.16271	0.9
108.02180	13.9
109.02953	31.1
110.03300	1.2
111.04518	4.7
115.00367	5.3
119.05059	1.8
121.02979	3.7
122.03741	1.4
123.04526	3.5
127.04017	3.2
133.02994	2.7
134.03761	2.0
135.04527	45.9
136.04837	1.8
137.02443	4.7
146.03761	1.3
147.04575	1.7
148.05283	4.1
149.06090	12.1
155.03497	4.8
161.02437	2.4
161.06073	12.2
162.06615	0.9
163.07660	2.4
171.03136	1.2
173.04549	79.8
174.04884	2.9
176.04774	1.3
179.03496	26.7
179.06998	1.1
180.03862	1.3
187.03923	1.2
191.05609	75.3
192.05965	2.6
205.04987	1.2
241.05083	5.7
242.05852	49.2
243.06506	14.4
244.06721	0.9
253.08731	1.1
255.06619	1.1
256.07455	1.2
269.08102	5.4
271.09756	67.7
272.10034	5.2
289.05667	2.1
297.07617	3.4
297.11127	2.0
315.08774	4.2
316.08820	1.4
341.06473	1.3
353.08768	32.3
354.09189	2.0
359.07706	100.0
360.08023	10.1
489.14078	4.7
521.11053	2.0
533.13007	60.2
534.13257	8.3
713.16919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	7.8
63.98101	0.5
68.99819	0.6
69.03449	1.5
70.98150	1.4
71.01385	23.9
72.99310	2.1
73.02941	4.1
77.14838	0.5
78.71391	0.4
78.71859	0.5
81.03448	1.1
83.01414	2.7
83.05014	1.0
85.02960	6.6
85.45196	0.5
87.00878	4.7
89.02449	15.8
90.02779	0.7
90.44904	0.5
95.01382	1.7
97.02953	3.6
97.06573	0.6
99.00887	1.6
101.02444	15.5
109.02950	0.8
111.00928	1.0
111.04516	0.5
111.08205	0.6
113.02450	8.8
119.03492	4.1
122.03747	0.5
125.02455	4.4
131.03502	0.5
135.76689	0.4
143.03506	2.0
149.04567	0.5
161.04564	2.8
163.11395	0.7
165.12846	8.4
179.05591	2.9
183.13899	75.3
184.14204	3.4
209.11823	8.8
221.06694	2.5
227.12895	7.6
227.24060	0.5
235.08330	2.5
275.19833	0.5
277.21725	35.3
278.22055	2.6
305.08765	0.6
379.12723	1.8
397.08374	0.7
397.13525	14.1
398.13794	1.1
415.14560	3.0
607.25970	1.4
625.26794	3.4
626.27704	0.6
879.77612	0.6
885.48541	100.0
886.48804	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	885.4849
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98827	5.1
69.03453	1.3
70.29176	2.8
71.01385	19.5
72.99310	1.6
73.02946	3.2
75.49811	0.8
76.55345	0.7
83.01392	1.5
85.02944	5.4
85.70657	0.7
87.00866	3.4
87.43351	0.7
89.02440	14.2
95.01385	1.3
96.00037	0.7
97.02934	2.5
98.20587	0.9
99.00871	1.7
101.02439	13.0
113.02433	5.3
119.03503	3.9
125.02460	3.8
131.03477	1.0
131.22910	0.8
143.03476	1.8
143.80431	0.8
161.04530	2.3
165.12863	6.0
179.05588	2.0
183.13899	48.2
184.14227	2.6
209.11859	3.0
221.06607	1.5
227.12830	3.1
235.08240	2.5
269.73416	0.9
277.21713	49.8
278.22046	5.4
330.50665	0.7
379.12390	1.7
397.13531	12.3
415.14429	3.0
495.53625	0.8
521.98694	0.8
528.74353	0.7
607.26324	1.8
614.60223	0.9
625.27002	1.7
667.34424	0.9
837.18469	0.9
867.47205	0.9
881.35107	0.8
885.48511	100.0
886.48767	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	883.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.48354	0.3
62.98553	0.7
62.99242	0.3
63.99267	0.4
70.80901	0.3
71.01400	0.8
71.50864	0.4
85.02956	0.6
87.00878	0.4
89.02442	0.6
91.32393	0.3
101.02473	0.9
113.02472	0.4
119.69247	0.3
126.90483	1.4
128.03563	1.0
171.10258	1.2
183.13855	0.4
207.10349	0.5
211.13408	1.1
225.11322	0.5
229.14494	1.1
232.90150	0.4
235.08186	2.3
253.09299	2.6
277.21719	10.4
278.22070	1.2
291.19617	0.5
309.20728	1.9
327.21762	6.9
328.22296	0.8
545.29962	0.9
563.30670	0.4
647.78564	0.3
649.31616	0.4
883.46967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.5
69.03453	1.3
69.19794	1.7
69.20207	4.7
71.01381	20.7
71.05031	2.1
72.99313	2.0
73.02948	4.0
75.00883	2.5
78.95947	0.7
81.03471	1.9
83.01389	4.5
83.05030	2.1
83.24747	0.6
83.62334	0.6
85.02951	6.1
86.00120	0.7
86.34361	0.6
87.00873	12.5
89.02446	11.1
92.99352	0.6
94.26024	0.8
95.01414	1.7
95.05047	1.3
97.02945	13.3
97.06602	3.8
99.00887	27.9
101.02447	11.3
109.06593	4.2
110.03723	1.5
111.00866	1.9
113.02459	7.6
115.00368	6.9
119.03523	1.8
121.06563	0.8
123.08193	1.5
124.01685	0.9
125.02464	7.7
125.09721	7.7
131.34444	0.6
135.08189	2.2
136.05299	1.8
137.06149	0.6
139.00406	2.0
142.02725	3.9
143.03496	1.4
149.02788	0.6
157.01454	1.7
161.04584	1.0
161.09741	1.1
163.11285	11.3
175.02484	15.3
175.03987	1.0
179.05623	2.4
179.10701	0.9
181.12340	18.4
189.09285	0.7
197.11870	1.2
199.13332	3.1
201.11360	0.7
207.10255	66.8
208.10527	3.7
209.11798	1.0
223.13420	0.8
225.11317	100.0
226.09705	0.7
226.11594	4.0
235.08240	2.8
243.12366	33.1
244.12698	2.8
253.09248	1.2
263.07700	2.4
277.21716	62.4
278.22043	5.4
287.07715	0.7
299.14825	1.1
305.08746	0.8
317.16135	0.9
323.10126	0.9
327.14267	0.8
379.12225	3.0
397.13449	15.6
398.13867	1.7
405.17422	1.1
415.14423	3.8
461.20160	0.8
538.94250	0.7
577.37415	1.0
605.24481	21.8
606.24554	3.0
623.25525	10.7
624.25732	1.4
765.44318	1.2
783.44550	1.1
859.44037	0.8
883.46881	83.0
884.47247	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	883.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98534	1.2
61.98835	19.5
68.99808	1.1
69.03448	3.2
71.01386	21.0
71.05006	3.0
72.99313	1.8
73.02947	3.7
75.00876	1.8
77.80524	0.6
81.03465	2.0
83.01382	3.7
83.05003	0.7
85.02948	5.4
87.00880	12.1
89.02449	8.7
95.01405	1.6
96.96062	0.7
97.02953	14.7
97.06598	2.5
98.19891	2.4
99.00886	25.6
101.02443	10.0
109.06609	2.1
110.03757	1.5
111.00890	1.7
113.02448	6.4
115.00372	7.5
119.03485	2.5
123.00887	0.8
123.04535	1.4
123.08192	1.4
125.02457	9.4
125.09730	7.1
135.08192	2.1
136.05309	2.5
139.00371	1.1
141.01772	1.0
142.02722	3.2
143.03508	1.3
157.01451	1.2
161.04572	2.8
161.09697	0.9
163.10039	1.2
163.11308	12.7
164.11629	1.0
164.72224	0.6
167.03392	0.7
175.02489	12.6
179.05629	2.5
179.10954	0.9
181.12346	24.8
189.09195	0.8
197.11821	1.4
199.13374	4.2
207.10255	68.0
208.10645	2.8
209.11935	0.9
221.06627	1.2
223.13455	1.2
225.11324	100.0
226.11653	4.4
226.13565	0.6
235.08151	3.0
239.12816	0.9
241.14403	0.8
243.12370	38.7
244.12694	1.2
249.11218	0.6
263.07748	3.4
267.12265	1.1
277.21722	58.8
278.22000	3.4
287.07697	1.2
299.15192	1.1
305.08847	0.7
317.16122	4.5
358.02185	0.6
379.12421	1.7
397.13574	9.3
398.13773	1.2
415.14584	1.8
425.17862	1.2
461.20370	1.7
605.24536	27.0
606.25055	2.7
623.25531	29.4
624.26056	3.6
641.79462	0.7
662.95343	0.7
745.25397	0.8
765.44531	0.7
883.46973	74.0
884.47180	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	883.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18933	6.4
77.03944	1.0
79.01893	0.8
85.11953	0.8
89.80960	0.6
93.03463	1.5
98.19923	1.2
105.03458	1.1
109.02978	3.6
117.03468	8.1
118.03798	0.8
119.05023	1.2
121.02922	1.4
123.04514	1.8
124.56028	0.7
125.02444	2.2
133.02980	1.4
135.04543	2.3
137.02510	0.7
145.02975	1.1
147.04507	1.0
149.02490	1.9
150.03247	0.7
151.03989	1.7
153.43880	0.6
158.11366	0.6
159.04509	0.8
161.02422	5.4
163.00342	1.1
163.03986	2.7
165.01917	1.5
173.02386	0.7
177.01924	3.9
178.02318	0.7
181.28854	0.8
183.04373	0.6
189.01945	6.8
190.02628	1.2
191.03485	2.5
197.06107	1.2
203.03499	2.1
211.07610	0.7
216.00652	1.0
217.01389	5.5
219.03018	2.1
231.00848	0.6
231.02985	1.8
239.07172	1.5
268.03690	1.5
269.04419	2.7
281.04578	4.5
282.05316	2.5
283.06107	39.7
284.06454	2.5
289.07217	1.6
293.04422	1.1
295.06149	2.8
309.04083	0.7
311.05603	74.9
312.05896	6.4
314.04288	1.4
323.05518	4.5
327.05014	1.0
339.05060	0.7
341.06659	28.8
342.07034	2.1
353.06595	0.9
383.07736	0.7
402.60141	0.8
431.09821	100.0
432.10114	9.8
451.10294	15.3
452.10947	2.6
471.87265	0.7
518.76154	0.7
599.26898	0.6
760.30505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.63102	6.2
70.00174	6.7
71.01387	16.1
73.44137	6.4
77.16936	6.2
83.40105	7.4
85.02949	11.4
85.03453	7.2
89.02429	10.9
89.14836	6.3
96.95995	30.9
97.62423	6.5
98.19876	20.2
101.02401	10.1
111.98936	6.9
113.02454	14.6
116.92840	13.7
121.02942	11.6
125.02448	21.3
151.03999	13.0
161.02364	7.8
203.06819	7.5
211.13399	56.5
223.13380	44.0
229.28908	10.4
264.40970	7.3
289.07089	15.3
309.30048	6.9
397.13492	32.2
415.14331	9.7
444.17474	7.8
508.08636	7.5
591.25610	8.4
603.26599	18.0
609.26917	11.6
621.27625	16.2
815.40393	29.3
883.40668	65.8
884.41870	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	882.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98529	0.2
66.37543	0.1
69.51706	0.2
69.52117	0.6
71.01398	0.4
78.95919	0.2
85.02940	0.2
89.02442	0.1
101.02435	0.3
113.02483	0.1
114.89715	0.1
121.06712	0.1
126.90479	0.5
161.04552	0.2
171.10304	0.3
209.08081	0.2
211.13400	0.2
216.99763	0.1
223.13350	0.2
229.14511	0.3
235.08302	0.3
253.09424	0.5
266.01501	0.1
277.21704	1.9
293.21240	0.2
309.20639	0.3
327.21796	1.4
380.08649	0.2
386.86404	0.2
397.13699	0.2
435.83734	0.1
445.02057	0.2
563.29993	0.2
631.56104	0.2
882.51300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.03448	1.5
71.01386	6.5
71.02638	0.2
71.51170	0.3
72.01717	0.2
72.99310	0.6
73.02933	1.3
74.71680	0.2
76.26009	0.2
81.03468	0.3
83.01402	0.6
85.02969	1.5
86.03328	0.2
87.00884	1.9
89.02448	5.8
93.03480	0.3
95.01403	0.6
95.05013	0.2
97.02973	0.9
99.00874	0.4
101.02451	4.7
102.02791	0.4
109.06613	0.2
109.91794	0.2
111.00880	0.3
111.04525	0.3
112.98616	0.2
113.02457	3.3
114.02795	0.4
119.03502	1.5
125.02451	1.6
128.78015	0.2
131.03465	0.3
143.03519	1.2
158.50040	0.2
161.04573	1.4
161.13344	0.3
167.10799	0.8
168.11215	0.4
179.05653	2.1
179.10815	0.5
179.14357	1.1
180.05916	0.3
180.14775	0.3
182.43166	0.2
195.13896	2.9
196.14323	1.0
205.12340	2.8
206.12653	1.2
221.06776	0.4
223.13390	27.8
224.13739	11.3
225.14131	0.4
235.08206	1.9
236.08678	0.4
253.09328	0.4
259.72382	0.3
263.07779	0.3
277.21722	14.7
278.22083	7.8
279.22247	0.3
291.23108	0.3
302.29346	0.2
305.08893	0.7
305.88770	0.2
323.09940	0.4
379.12546	2.0
380.12631	1.1
397.13504	10.8
398.13861	5.5
399.14215	0.5
415.14560	2.4
416.14767	1.4
603.26758	1.0
604.27167	1.8
605.27002	0.4
621.27704	1.5
622.27716	2.0
882.49176	0.5
883.47534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	13.8
69.03458	3.0
71.01385	32.3
72.23078	1.4
72.99318	1.7
73.02953	3.6
75.00837	1.4
76.59512	1.6
79.57780	1.7
81.03471	2.9
83.01392	2.2
83.05016	5.5
85.02954	5.6
87.00895	6.1
89.02459	22.9
95.01381	2.9
97.02943	5.7
99.00883	6.2
101.02449	21.3
113.02447	12.0
119.03531	7.4
125.02419	7.7
125.09743	4.1
127.11266	3.7
143.03430	3.4
161.04530	5.4
163.11247	4.6
165.12892	3.3
171.10292	3.2
179.05624	6.5
181.12350	2.2
199.06062	1.7
201.11330	87.9
202.11795	3.2
207.10265	3.3
209.11827	100.0
210.12152	5.9
211.13319	3.8
217.07222	1.8
221.06636	1.8
225.11273	2.6
226.11606	1.8
227.12880	16.6
235.08177	8.5
243.12270	2.9
253.09503	1.8
255.23294	86.1
256.23669	9.9
277.21741	5.2
287.07642	1.9
293.21271	3.0
305.08710	3.0
323.09753	3.0
379.12433	14.2
383.78488	1.6
397.13507	75.1
398.13913	5.2
415.14505	16.1
496.39774	1.5
581.24493	3.3
589.25085	3.3
607.25732	2.0
635.36438	3.2
653.37628	8.9
837.48071	3.0
881.50098	23.9
882.48749	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	881.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	53.5
66.91159	0.4
68.87469	0.4
68.99796	0.5
69.03445	3.7
70.58264	0.6
70.58600	0.6
71.01383	24.9
71.05008	0.8
72.99317	1.7
73.02947	3.4
75.00876	0.5
81.03475	0.9
83.01376	2.0
83.05043	0.7
85.02952	5.5
87.00871	5.7
87.04494	0.6
89.02447	19.7
95.01374	1.9
95.05043	0.4
97.02958	3.5
99.00891	1.3
99.04537	0.4
101.02441	17.4
109.02969	0.4
109.06543	0.8
111.00901	0.4
111.04525	0.6
113.02448	9.7
119.03494	4.5
123.04481	0.4
124.01713	0.5
125.02445	6.9
129.01088	0.4
130.38144	0.4
131.03535	0.9
137.02487	0.4
138.40753	0.3
139.03986	0.5
143.03473	3.4
149.04585	0.8
149.09746	0.5
161.04547	4.2
167.03517	0.6
167.10785	3.0
177.12825	0.8
179.05598	5.5
179.10783	1.2
179.14377	2.9
195.13898	11.0
195.15576	0.7
196.14220	0.5
199.06210	0.6
199.37573	0.3
201.46069	0.3
205.12315	9.9
206.12735	0.6
217.07169	0.9
219.05112	0.3
221.06564	2.0
223.13385	100.0
224.13722	5.2
235.08234	6.5
245.06586	0.7
253.09241	1.1
259.08136	0.6
259.20697	0.5
263.07651	0.8
265.14429	0.6
269.83136	0.4
277.21707	68.2
278.22083	4.5
287.07745	1.7
305.08646	2.6
319.22964	0.5
323.09824	1.4
361.11136	0.5
379.12482	8.7
380.12671	0.5
397.13486	53.8
398.13797	3.6
415.14563	12.8
416.14896	1.1
603.26648	6.3
604.27118	0.9
621.27594	5.3
622.27960	0.6
657.34143	1.0
675.36029	2.3
695.15741	0.4
881.49597	1.5
882.50354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4025
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98828	15.2
69.03455	7.4
69.45425	7.6
71.01381	26.0
71.05027	1.9
72.99298	3.7
73.02940	6.1
75.00894	8.6
80.02665	1.5
81.03460	2.7
82.38501	0.9
83.01389	3.1
83.05015	7.6
84.02168	2.5
85.02954	7.3
87.00877	8.1
89.02441	16.6
93.03467	1.7
95.05042	2.1
97.02956	4.1
97.06585	2.0
99.00877	2.4
99.80421	1.0
101.02438	13.5
107.76481	1.2
109.02943	1.7
109.06574	1.8
109.21246	1.1
113.02443	8.3
115.00364	11.8
115.77139	1.0
119.03493	3.7
123.04588	1.5
125.02431	3.9
125.09729	4.1
139.04013	1.4
143.03506	1.7
143.46735	1.2
151.11295	4.3
153.12808	2.1
161.09729	4.6
163.11345	5.7
165.12801	3.6
171.10214	5.3
175.02489	17.5
176.02873	1.3
179.10797	8.5
197.11824	89.3
198.12160	4.5
209.11818	80.5
210.12138	5.0
221.06683	3.2
223.09647	1.4
227.12868	4.3
239.12971	1.9
241.10786	6.3
241.14403	2.0
253.09140	1.6
259.15424	5.7
273.17007	1.7
285.13470	2.6
397.13486	3.4
415.14389	1.5
551.00842	1.3
621.24084	1.2
713.34253	2.1
731.34613	6.8
732.35498	2.0
761.36487	1.9
763.37311	4.1
803.37714	1.7
849.37598	100.0
850.38031	22.0
881.40259	50.3
882.40839	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	881.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.4
62.44975	0.6
65.00340	0.9
69.05401	0.7
69.15462	7.3
71.01384	2.0
73.02979	1.0
75.45261	0.6
77.03986	0.9
79.01939	0.8
79.65993	0.6
83.01420	0.8
85.02945	1.3
87.00893	1.2
88.98809	0.8
89.02472	0.8
89.03961	3.8
91.14597	0.7
93.03445	1.8
96.96044	1.7
101.02454	1.0
105.03491	0.9
108.02184	1.3
109.02950	10.8
113.02447	1.0
115.00394	1.0
117.03470	6.2
119.05029	2.0
121.02956	2.4
123.04523	2.2
125.02473	4.9
133.02979	10.9
137.02431	1.3
139.04051	0.8
145.02907	1.1
149.02483	1.2
150.03224	2.2
151.04030	4.1
159.04572	1.3
160.01588	0.9
161.02446	21.7
162.02875	0.9
163.04050	1.0
165.01862	0.8
175.03976	1.6
176.01151	0.8
177.01933	100.0
178.02280	4.1
183.04474	1.1
189.01926	10.5
201.05531	1.4
216.00677	3.6
217.01474	5.0
224.04819	1.3
227.03476	1.2
237.05585	0.8
239.07159	1.9
245.04562	1.5
249.05655	1.3
253.05058	1.4
257.04715	1.4
260.32596	0.8
265.05002	1.9
267.06638	1.1
269.04526	5.5
277.04999	1.7
279.03033	1.4
281.04559	5.4
282.05231	1.1
283.06125	35.0
284.06464	2.1
285.04108	1.8
287.05643	13.2
293.04553	3.1
295.02530	3.4
295.06152	6.2
296.02951	0.8
296.06656	1.0
297.04019	3.4
299.05521	1.1
306.05069	0.8
307.02615	5.9
307.05771	1.1
308.03247	1.4
309.04099	7.0
311.05603	45.6
312.06000	4.0
314.04486	1.2
319.02249	1.1
321.04028	15.3
322.04590	1.6
323.05600	10.3
337.03583	12.7
338.03952	1.1
339.05090	40.7
340.05594	2.2
341.06659	13.6
349.03574	4.6
351.05087	2.4
353.06668	2.6
361.03513	1.0
367.04562	9.6
379.04739	1.6
405.06210	2.8
431.09860	26.6
432.10086	1.9
443.09863	1.6
447.07117	9.3
449.08691	13.2
450.09119	1.8
459.07285	2.2
473.08716	2.1
477.08246	9.1
489.08621	0.8
499.06714	1.8
503.09821	1.3
511.06964	1.0
549.10291	1.8
567.10938	3.7
593.13037	5.9
599.11798	5.1
600.11938	1.0
609.10364	6.6
611.12665	1.0
619.10889	2.2
629.13177	2.7
639.11609	1.3
711.13611	1.8
729.14453	10.1
730.15137	2.2
731.16748	0.9
733.28876	1.0
743.14038	1.2
749.99713	0.9
753.14972	3.1
754.14917	1.0
761.15265	3.3
762.15149	1.2
769.57080	0.9
771.15643	2.3
863.18140	1.6
881.19183	21.7
882.20154	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	879.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	6.3
62.76739	1.0
67.02695	0.9
69.03433	2.0
71.01376	13.6
71.05003	3.2
71.42802	1.9
71.43170	1.2
73.02938	1.8
80.24867	1.0
81.03489	1.0
83.01361	1.7
83.94479	0.9
85.02954	3.5
87.00879	5.8
89.02462	9.3
90.11337	1.0
92.59628	1.0
96.73107	1.0
97.02972	5.3
97.03501	1.0
97.06603	2.6
99.00878	13.9
101.02468	7.0
101.40215	1.0
109.06570	1.7
113.02434	3.9
115.00349	3.1
116.92813	1.3
119.03506	2.2
121.87176	0.9
123.08144	1.4
125.02429	3.6
125.09765	4.7
135.08180	1.4
142.02667	1.4
143.03497	1.8
161.04562	1.3
163.11273	9.9
171.10246	5.6
175.02486	6.7
176.02721	1.4
181.12357	12.0
197.11748	1.8
199.13312	5.1
207.10298	19.2
208.10619	1.3
221.06567	1.6
225.11325	24.2
226.11697	1.8
235.08250	2.0
243.12367	11.0
255.23309	36.8
256.23505	2.3
379.12775	1.0
397.13525	9.2
415.14539	1.7
555.91235	1.3
623.25952	1.9
861.48615	1.9
879.49597	100.0
880.49438	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	879.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	1.0
69.42633	3.5
75.83756	0.4
83.01382	0.7
93.03468	0.5
96.71168	0.5
107.01364	1.0
109.02924	0.5
113.12075	0.4
117.03461	1.6
121.03021	0.5
125.02417	1.1
133.02957	2.9
135.04541	0.6
137.02451	0.5
149.02426	0.9
151.00372	2.3
159.04523	0.6
161.02477	1.2
163.04005	0.9
175.04007	1.1
183.04523	0.7
197.06122	0.6
199.04027	1.1
215.50146	0.5
217.05130	0.9
227.03519	1.0
238.60645	0.4
241.05171	0.7
256.03720	2.1
268.03839	0.7
269.04535	0.7
281.04614	1.0
283.02982	0.5
283.06104	9.9
284.03256	35.7
284.06070	1.4
285.04025	84.1
286.04385	6.1
289.07224	0.8
297.03989	0.7
311.05603	17.7
312.06021	0.8
323.05460	1.1
327.05148	2.7
341.06598	2.8
427.14127	0.9
431.09778	23.7
432.10056	1.7
447.09296	100.0
448.09647	10.5
462.85162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	4.9
70.27101	1.9
71.01379	13.7
71.05016	1.4
72.99311	1.0
73.02953	2.7
75.46619	0.5
83.01387	2.3
85.02945	3.4
87.00880	3.0
89.02450	8.9
95.01376	0.9
97.02958	1.9
97.06556	0.6
99.00871	1.0
101.02441	7.9
113.02454	3.7
117.76468	0.6
119.03504	1.5
123.08169	1.4
125.02429	2.4
125.09665	1.3
137.09627	0.6
142.80818	0.6
143.03487	0.9
151.11267	2.6
153.12833	0.8
161.04587	1.6
161.09752	3.1
175.02519	1.2
179.10785	5.1
197.11826	37.4
198.12099	1.8
221.06618	2.2
221.52887	0.6
223.09734	0.9
235.08194	0.7
241.10786	2.4
255.23296	47.6
256.23581	3.0
397.13379	2.4
525.03937	0.6
621.23627	0.8
682.94305	0.7
759.45807	0.9
877.47974	100.0
878.48370	23.4
878.61975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	8.3
65.09818	2.0
69.03451	4.2
71.01382	23.0
71.51769	2.9
72.99313	2.6
73.02947	5.5
75.00866	2.7
83.01380	5.3
85.02950	8.0
87.00877	14.2
89.02445	14.0
95.01389	2.1
96.71234	1.7
97.02945	3.0
99.00874	3.8
99.92576	2.5
100.31112	2.0
101.02419	11.7
106.67075	2.4
111.08146	2.0
113.01193	9.5
113.02441	8.8
113.09708	2.4
115.00372	8.7
116.92863	13.8
119.03474	4.2
121.04147	2.1
125.02439	7.9
133.01404	2.1
133.05080	2.7
139.07616	5.0
143.03494	4.0
157.08690	100.0
161.04555	4.6
171.10254	2.8
175.02477	15.5
176.56992	1.9
179.05656	3.1
197.11819	8.2
209.11833	1.7
221.06631	2.2
235.08121	6.9
253.21730	18.1
277.21704	56.7
278.22153	3.6
281.73853	2.1
379.12396	14.7
397.13535	41.4
405.85193	2.1
415.14407	9.8
537.22003	3.2
555.22662	2.4
574.35388	2.2
601.71259	1.9
757.44342	2.5
875.46173	27.8
876.47369	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	877.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33983	0.5
61.98823	1.6
68.77445	0.5
69.03454	3.6
70.52270	0.5
70.63464	0.5
70.63809	1.0
71.01380	12.5
71.05014	1.7
72.96043	0.5
72.99297	1.1
73.02939	1.8
75.00893	0.6
81.03480	0.5
81.60852	0.5
83.01373	1.6
85.02946	3.2
87.00870	1.7
89.02447	9.3
95.01398	0.7
95.14197	0.5
97.02942	1.4
97.06589	0.5
99.00887	0.8
101.02438	7.9
105.58517	0.4
109.45207	0.5
113.02452	4.4
116.92837	1.3
119.03527	0.9
123.08202	0.5
125.02442	1.5
125.09725	1.7
125.33714	0.5
131.03355	0.5
143.03484	0.8
151.11266	1.5
153.12802	1.1
157.07246	0.5
161.04449	0.7
161.09648	2.2
179.05603	0.8
179.10753	4.1
197.11827	53.7
198.12154	2.4
211.07645	0.5
221.06615	2.1
223.09727	1.2
235.08246	1.0
241.10825	4.3
253.09390	0.5
255.23282	26.3
256.23676	2.3
394.30563	0.5
397.13663	2.5
415.14548	1.0
462.74258	0.5
639.25574	0.9
877.47992	100.0
878.48370	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	875.463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	8.1
61.99129	1.6
64.66719	1.7
66.91370	1.8
69.55591	1.9
71.01009	2.1
71.01383	24.6
71.51942	2.4
72.57264	1.8
72.99306	4.7
73.02945	2.9
75.00873	4.7
83.01385	2.1
85.02953	6.2
87.00871	7.5
88.98808	3.1
89.02449	16.5
92.18276	2.0
97.02952	4.8
101.02462	12.9
111.08160	4.2
113.02460	8.1
113.09704	2.7
115.00365	6.2
116.92847	12.3
119.03486	3.1
120.20825	2.2
125.02439	7.3
133.05116	1.9
139.07616	3.5
143.03519	3.4
149.00885	3.3
157.08705	100.0
161.04536	5.0
171.10313	3.8
175.02470	7.3
179.05635	5.6
197.11835	4.9
197.29147	2.4
235.08139	7.5
253.21783	10.8
277.21716	70.4
278.21997	3.2
287.07623	3.5
305.08694	3.7
379.12442	11.9
397.13489	49.2
415.14664	8.7
675.36078	3.4
754.71680	1.9
757.43671	4.8
875.47546	7.0
876.47382	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	875.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.9
71.01375	3.2
71.52189	0.3
71.52592	0.4
73.02955	1.3
77.03973	0.6
78.95934	0.4
79.01868	0.6
80.85215	0.3
83.01406	1.1
85.02943	0.8
87.00883	0.5
87.92332	0.4
89.02436	1.0
93.03470	1.4
95.01439	0.4
96.96015	1.7
99.00985	0.3
101.02460	2.4
109.02970	0.7
111.95456	0.3
113.02450	1.4
116.92847	0.4
117.03473	7.0
119.03541	0.4
119.05012	1.2
119.33645	0.3
121.02980	0.4
123.04571	0.4
125.02422	1.0
128.66566	0.3
131.03464	0.4
131.05013	0.6
133.02951	0.8
135.04518	1.6
137.02446	1.0
145.02945	0.4
147.04507	0.5
149.02470	2.0
151.04018	0.4
157.95523	0.3
161.02455	7.6
161.04597	0.9
163.00388	0.4
163.03989	0.6
165.01900	0.5
173.02335	0.5
173.04611	0.6
175.00529	0.3
175.03987	4.4
177.01924	2.9
179.03522	0.7
183.04572	0.4
185.02420	0.8
191.03499	0.9
191.05594	0.8
197.06082	0.5
202.02673	0.4
203.03545	1.6
205.01422	1.5
209.06184	0.4
223.07616	0.6
237.05389	0.4
239.07207	0.6
241.05096	0.5
249.05559	0.3
250.06235	0.3
251.07114	0.9
253.05211	0.4
257.08099	1.2
260.61853	0.3
267.06714	1.1
269.04410	0.8
279.06558	0.7
281.04532	3.3
282.05032	0.7
283.06125	10.3
284.06479	0.4
293.04550	1.3
294.05344	1.0
295.06110	10.3
296.06427	0.5
297.04163	0.7
297.07413	0.5
305.04645	1.3
311.05597	13.2
312.05936	1.0
314.04227	0.5
323.05594	32.3
324.05893	2.6
326.04318	0.6
341.06583	3.8
353.06641	2.4
431.09860	8.0
432.10080	1.1
443.09818	100.0
444.10178	8.6
447.09250	0.4
875.21161	1.5
895.60498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62399	0.3
70.63612	0.6
70.63953	0.4
72.99297	1.3
73.77857	0.3
74.11383	0.3
84.99306	0.7
87.00877	7.5
93.03463	0.7
93.11775	0.3
103.00360	3.5
109.02982	0.6
112.98819	7.9
119.05030	50.8
120.05357	1.5
125.02454	2.1
130.99850	0.9
131.84514	0.3
135.04538	0.8
137.02455	0.5
149.00919	20.6
150.01274	0.4
151.04041	0.3
161.02489	0.6
163.04012	100.0
164.04367	4.3
179.51662	0.3
213.08765	0.3
218.17886	0.3
220.98909	0.3
253.39102	0.3
272.15195	0.4
287.05542	0.5
289.07169	1.6
295.04590	30.5
296.04904	1.9
407.07858	1.6
425.08582	2.0
450.54291	0.4
451.09872	0.4
577.13757	1.3
759.91028	0.3
879.70367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98589	0.5
61.98835	6.7
66.74591	0.6
67.01882	0.5
68.99845	0.6
69.03449	1.1
69.25549	3.3
69.25971	2.3
71.01363	3.2
72.99306	0.8
81.03451	1.4
83.01387	5.8
83.05031	1.4
85.02948	1.9
87.00880	1.1
89.02447	1.3
93.03438	2.3
95.01395	1.2
95.05027	2.2
97.02962	4.1
98.19938	1.3
98.32787	0.6
101.02428	1.9
108.02164	2.0
109.02958	11.1
113.02452	0.9
115.84447	0.6
116.92874	2.9
117.03495	0.7
121.02989	4.5
122.03730	7.3
123.00915	1.1
123.04536	16.7
124.01643	2.7
125.02452	4.0
125.09689	0.7
128.03508	0.7
128.90144	1.3
129.01941	1.3
133.02959	1.4
135.04497	2.6
137.02438	13.7
138.03172	0.7
139.04042	2.9
145.02934	1.5
146.03732	2.1
148.01656	0.6
149.02422	5.5
149.09702	0.5
150.03194	1.5
150.59982	0.6
151.04022	5.0
151.11322	0.5
154.02731	2.5
159.04535	3.0
161.02470	6.8
161.06087	5.9
162.03255	2.9
163.00267	0.8
163.03972	3.4
164.01161	2.9
165.01930	15.1
165.05568	1.2
166.02237	0.8
169.12352	3.6
173.05937	0.6
174.03308	1.0
175.03987	1.8
176.01138	1.9
177.01866	0.8
177.05540	2.3
179.03479	1.6
185.11816	1.9
187.03983	1.9
188.04681	1.1
189.05510	1.2
201.05527	1.7
203.03513	1.5
203.07143	3.0
205.05072	7.8
211.13385	2.2
213.11328	1.9
216.04170	0.7
227.07079	0.7
229.05006	1.3
231.02979	0.7
247.06084	2.9
253.08859	0.7
277.21710	5.0
278.21970	1.0
287.12769	1.1
288.06403	3.3
289.07193	0.7
299.12943	0.9
311.12766	0.9
314.11557	0.8
327.12344	1.7
327.16043	0.9
329.13879	1.6
337.14627	0.7
341.55710	0.6
355.15683	0.9
381.17056	1.7
397.13489	2.2
419.29797	1.4
447.21957	0.8
451.17700	4.7
452.18301	1.5
709.44916	1.0
747.42700	2.7
795.45673	0.7
827.48773	1.4
853.46759	0.7
871.47803	100.0
872.48212	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	871.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.2
67.01890	1.0
67.19746	0.6
69.03443	2.0
70.17247	0.6
70.57291	1.7
71.01385	5.9
72.32919	0.6
72.99303	1.2
73.02950	1.0
75.00866	0.9
81.03457	1.0
83.01395	5.0
83.05033	1.4
85.02973	1.6
87.00883	3.2
88.98789	1.5
89.02446	4.1
93.03461	1.4
95.01391	1.6
95.05043	2.1
95.08459	0.6
97.02959	7.3
97.06576	1.8
98.65501	0.6
99.00864	0.8
101.02473	3.8
105.36610	0.7
108.02201	1.6
109.02966	13.6
111.00903	0.7
111.04475	0.8
113.02430	1.6
115.03973	0.8
116.92863	2.7
119.03534	1.4
121.02944	5.4
122.03748	7.4
123.00876	1.1
123.04536	14.3
123.08171	1.2
124.01658	3.3
124.04830	0.9
125.02446	4.8
125.09731	7.0
129.01941	2.4
133.02902	1.6
135.04523	3.8
137.02451	15.3
139.04010	3.4
145.02931	1.7
146.03726	2.3
147.02937	1.0
149.01198	0.8
149.02435	6.7
150.03223	1.0
151.04036	5.2
154.02725	3.2
157.06580	0.8
159.04533	3.7
161.02460	8.9
161.04645	1.4
161.06079	4.2
162.03162	2.5
163.00337	0.8
163.04042	3.6
164.01154	3.2
165.01933	21.0
165.05620	0.9
167.10745	0.9
171.12148	0.6
173.06075	0.7
175.03996	3.5
177.01935	1.3
177.05530	1.9
179.03517	2.2
179.05673	0.9
185.06073	0.9
185.11830	8.1
187.04012	1.7
187.09737	2.7
188.04770	1.7
189.05611	0.9
195.08572	0.7
195.10207	3.5
199.03784	0.7
201.05537	1.2
202.06372	0.9
203.03474	2.1
203.07135	2.3
205.05054	6.6
209.11844	10.7
213.05547	0.7
213.11378	5.1
215.03510	0.8
216.04280	0.7
217.04909	0.8
227.07114	1.0
227.12950	1.1
229.05080	1.5
231.02943	1.0
235.08235	1.4
239.07045	0.7
239.12834	0.9
241.08772	0.9
247.06120	2.6
249.11237	1.4
253.09177	1.4
277.21729	18.6
278.22098	1.1
288.06485	1.8
289.07123	1.7
353.17758	0.9
379.12302	1.2
381.17050	1.3
397.13361	4.0
505.22357	1.6
514.88702	0.7
530.60309	0.7
683.40155	3.8
709.44403	1.9
719.43414	1.2
747.42419	1.2
763.42743	9.3
764.43445	1.6
779.42566	0.7
853.46887	2.2
871.47772	100.0
872.47980	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	871.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.4
62.93981	1.1
63.54206	1.2
71.01384	8.8
71.51588	1.2
73.02976	1.4
83.01369	5.8
85.02944	2.0
87.00871	3.2
89.02437	7.4
93.03436	2.2
97.02953	1.6
97.06588	2.6
101.02451	5.6
108.02158	1.3
109.02959	10.1
113.02431	3.7
116.92857	3.6
119.03487	2.0
121.02930	4.1
122.03728	5.0
123.00891	1.4
123.04543	7.7
124.01659	1.9
125.02422	4.9
125.09681	1.5
133.02994	1.8
135.04521	2.0
137.02440	9.1
139.04012	2.0
149.02429	5.0
151.04001	2.3
151.11244	5.0
154.02663	1.6
159.04518	2.5
161.02397	3.1
161.06117	3.5
162.03183	2.8
163.03963	2.5
164.01155	1.5
165.01907	7.2
169.12349	15.2
171.10226	1.9
175.04013	1.3
177.05513	1.8
185.11798	6.1
187.04007	1.6
195.10281	1.4
203.03455	1.3
203.07007	1.2
205.05000	7.3
208.16052	1.3
213.11308	6.0
221.06461	1.3
229.04977	1.3
277.21710	19.8
288.06381	2.3
344.76981	1.3
397.13504	3.7
415.14511	1.5
853.46136	1.4
860.70319	1.4
871.47498	100.0
872.47729	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	871.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	7.2
68.99560	1.7
69.03455	1.8
71.01382	13.2
71.51808	1.7
72.99290	2.3
73.02957	1.4
75.60697	1.4
83.01375	4.4
85.02961	3.6
85.26730	1.3
86.00062	1.2
87.00865	2.7
89.02453	10.3
95.05037	1.6
97.02956	3.2
97.06576	1.9
101.02437	8.2
108.02200	1.2
109.02930	7.0
109.06553	1.4
109.28497	1.2
113.02399	3.2
114.93364	1.5
116.92876	6.7
119.03448	2.7
121.02957	2.9
122.03711	2.6
123.04519	7.8
124.01701	1.8
125.02438	6.2
128.90198	1.7
137.02405	6.2
139.03999	1.5
149.02458	3.5
151.04008	2.7
151.11272	7.2
154.02647	2.0
161.02406	3.1
161.04666	2.6
161.06018	3.1
165.01903	6.2
169.12340	41.0
170.12704	1.8
185.11797	5.1
195.10185	2.5
205.04976	1.9
213.11377	9.7
214.11636	1.5
221.06628	2.2
277.21704	15.5
288.06479	2.1
289.18268	1.6
309.20770	2.0
319.47748	1.7
379.12259	1.6
397.13501	3.8
415.14328	1.8
593.25232	2.2
611.25781	2.4
747.42682	2.0
871.47308	100.0
872.47760	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	871.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	8.2
71.01382	9.9
78.95899	2.7
81.03480	2.4
83.01391	7.0
85.02966	2.6
87.00851	3.4
89.02441	4.6
97.02929	4.3
98.19873	4.8
101.02419	5.5
106.83202	2.0
108.02164	2.3
109.02934	14.8
113.02456	2.7
116.92871	6.6
118.74775	2.2
121.02938	3.9
122.03716	5.9
123.04498	13.4
125.02441	7.5
135.04552	2.7
137.02406	12.2
139.04005	2.7
146.03764	2.3
149.02438	4.5
151.03986	5.5
154.02710	2.5
159.04535	2.7
161.02467	5.0
161.06026	5.8
162.03271	3.0
165.01961	13.1
165.05490	3.2
167.10750	2.2
169.12311	6.8
175.03981	2.6
177.05559	2.1
185.11829	6.1
196.76967	2.2
205.04990	7.2
209.11736	2.1
211.13383	2.6
213.09418	1.8
213.11243	9.1
234.81032	1.9
247.06094	3.1
253.09238	2.1
277.21756	18.0
278.22147	3.0
288.06360	4.5
307.18997	2.5
309.20599	2.3
362.64618	2.0
397.13391	5.8
470.96945	2.2
539.42096	2.4
747.42871	3.0
871.47650	100.0
872.47888	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	869.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25309	0.4
61.98830	2.8
67.83460	0.4
68.99572	29.1
69.03455	1.9
71.01382	14.2
71.51439	0.6
72.99306	1.6
73.02953	1.9
74.01595	0.4
78.95869	0.5
81.03471	0.5
81.84042	0.4
83.01388	1.4
85.02948	3.5
87.00893	3.9
89.02445	13.8
95.01375	1.1
97.02961	3.0
99.00878	0.8
101.02443	12.0
111.00905	0.5
112.98569	26.9
113.02453	6.9
115.00341	0.4
119.03522	3.0
125.02450	6.0
127.04057	0.4
131.03513	0.9
133.05046	0.5
139.03967	0.6
143.03502	2.2
161.04572	3.3
167.14384	0.7
179.05614	4.9
183.12379	0.7
183.13899	7.2
193.12337	1.9
209.11858	0.5
211.13388	100.0
212.10654	0.5
212.13760	4.5
217.07095	1.0
221.06700	1.4
235.08234	4.6
246.15219	0.4
253.09207	1.2
253.14343	0.5
277.21713	46.8
278.21991	3.8
287.07745	1.7
305.08804	1.9
323.09866	0.8
323.15424	0.5
379.12405	6.6
380.12885	0.6
388.49390	0.5
397.13483	36.1
398.13892	2.2
415.14566	7.7
416.14825	0.5
591.26349	2.3
592.26831	0.5
609.27563	3.9
654.91302	0.5
657.35632	0.5
675.36212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25309	0.4
61.98830	2.8
67.83460	0.4
68.99572	29.1
69.03455	1.9
71.01382	14.2
71.51439	0.6
72.99306	1.6
73.02953	1.9
74.01595	0.4
78.95869	0.5
81.03471	0.5
81.84042	0.4
83.01388	1.4
85.02948	3.5
87.00893	3.9
89.02445	13.8
95.01375	1.1
97.02961	3.0
99.00878	0.8
101.02443	12.0
111.00905	0.5
112.98569	26.9
113.02453	6.9
115.00341	0.4
119.03522	3.0
125.02450	6.0
127.04057	0.4
131.03513	0.9
133.05046	0.5
139.03967	0.6
143.03502	2.2
161.04572	3.3
167.14384	0.7
179.05614	4.9
183.12379	0.7
183.13899	7.2
193.12337	1.9
209.11858	0.5
211.13388	100.0
212.10654	0.5
212.13760	4.5
217.07095	1.0
221.06700	1.4
235.08234	4.6
246.15219	0.4
253.09207	1.2
253.14343	0.5
277.21713	46.8
278.21991	3.8
287.07745	1.7
305.08804	1.9
323.09866	0.8
323.15424	0.5
379.12405	6.6
380.12885	0.6
388.49390	0.5
397.13483	36.1
398.13892	2.2
415.14566	7.7
416.14825	0.5
591.26349	2.3
592.26831	0.5
609.27563	3.9
654.91302	0.5
657.35632	0.5
675.36212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
66.97913	0.1
71.01399	0.1
71.51877	0.1
78.95918	0.1
85.74334	0.1
87.00901	0.1
89.02432	0.1
127.96254	0.1
152.99626	0.1
167.46031	0.1
202.52806	0.1
211.13419	0.8
244.14662	0.1
255.23395	0.2
256.23706	0.1
276.15320	0.1
277.21747	0.4
284.21585	0.1
341.91080	0.1
397.13620	0.2
430.05606	0.1
478.87646	0.1
518.30450	0.1
692.39386	0.1
798.89233	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	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98520	0.2
74.81504	0.1
127.07516	0.1
165.33286	0.1
458.07870	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	868.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33287	0.1
61.98832	100.0
70.37690	0.5
71.01403	0.2
74.81398	0.1
87.00899	0.4
87.39311	0.1
96.96001	0.2
115.00385	0.8
122.18373	0.1
127.63532	0.1
175.02492	1.5
176.02826	0.2
179.03590	0.2
211.13429	0.3
406.04330	0.2
606.95203	0.2
796.88879	0.2
868.40729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	90.8
71.01376	28.0
71.21519	3.3
72.99304	3.7
73.02952	5.6
75.00871	4.1
81.03465	3.3
83.01385	4.0
83.05023	6.8
85.02954	9.6
87.00903	12.6
89.02448	18.5
94.74935	2.8
95.01409	2.7
96.96006	4.0
97.02920	4.4
101.02438	20.4
109.02946	3.1
113.02449	12.4
115.00365	9.3
116.92872	6.3
119.03465	6.0
120.01372	2.4
125.02457	6.7
137.02463	2.8
137.14014	2.6
143.03481	3.5
161.04518	3.8
163.11261	5.8
165.12866	8.8
166.13087	3.0
175.02507	17.7
175.03865	4.1
179.05727	2.9
183.13904	64.2
189.09253	2.8
190.02637	2.6
197.11726	3.5
209.09901	4.9
209.11832	74.8
210.12175	8.3
211.13416	5.8
221.06749	3.2
227.12857	14.4
234.08582	2.8
259.15497	11.4
289.07129	3.1
321.94553	3.1
397.13348	9.8
400.12341	2.4
456.65955	2.8
563.89850	2.6
611.84827	3.3
835.39697	100.0
836.40173	22.9
867.42133	38.8
868.41895	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	866.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.82069	0.1
71.01388	0.3
75.59078	0.1
78.95901	0.3
87.00906	0.3
89.02468	0.2
96.96021	0.3
98.20768	0.3
101.02425	0.2
113.52236	0.2
171.10255	0.3
175.02472	0.2
191.79419	0.2
195.63020	0.2
209.11824	0.4
210.12067	0.3
227.12848	0.2
228.13228	0.1
249.84401	0.1
255.23257	0.7
256.23648	0.4
281.24951	0.2
299.62292	0.2
330.53827	0.2
397.13385	0.4
498.38568	0.2
643.26135	0.2
691.38464	0.2
768.13239	0.2
796.46411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15841	0.1
61.98832	100.0
63.98486	0.1
78.53259	0.1
80.96534	0.4
91.09024	0.1
106.80383	0.1
127.16161	0.1
134.73357	0.2
140.71777	0.1
229.09584	0.1
255.23355	0.2
277.21887	0.2
330.20667	0.1
866.51752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.14027	1.2
69.14455	1.0
71.01386	0.2
78.98622	0.2
79.95763	0.6
80.96513	1.8
83.46631	0.2
93.77324	0.2
94.98097	0.4
101.53838	0.2
122.38008	0.2
164.98706	0.2
172.35977	0.2
173.87732	0.2
225.00777	0.5
368.80048	0.2
387.81873	0.2
480.39325	0.2
612.10376	0.2
675.87720	0.2
858.42896	0.2
866.50592	2.4
867.49438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	44.9
69.26323	13.5
71.01374	5.7
72.71042	1.5
73.02924	2.0
78.98592	2.0
78.99473	1.4
79.95741	2.9
80.96522	21.8
85.02908	1.6
89.02425	1.8
94.98080	2.9
101.02460	4.1
106.93707	1.6
107.63145	1.7
111.08161	6.1
116.92838	2.7
135.44154	1.5
140.39461	2.0
148.99155	1.6
169.12393	2.5
197.11839	31.8
211.13374	4.7
225.00742	3.3
225.14980	1.5
235.08165	6.9
253.09241	13.8
277.21741	100.0
278.22006	8.0
291.19653	14.8
292.20035	1.7
309.20728	40.3
310.21008	4.4
356.49753	1.5
360.85229	1.5
441.74463	1.9
714.31427	1.7
865.49597	16.1
866.50525	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	866.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98540	0.3
63.99253	0.7
69.30164	1.0
88.59230	0.1
103.00343	0.1
115.48463	0.1
143.45145	0.1
175.58464	0.1
179.24716	0.2
220.27512	0.1
220.29855	0.1
277.21829	0.4
547.59131	0.1
602.38745	0.1
694.49719	0.1
866.49359	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	865.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50626	2.6
61.98829	79.3
65.17446	2.6
69.03443	9.1
69.74564	10.8
70.92531	3.0
71.01379	34.4
71.05053	3.0
72.99298	8.5
73.02916	2.9
75.00872	21.2
83.01370	4.3
85.02946	13.3
85.39680	2.9
87.00873	29.3
89.02441	19.4
97.02902	4.3
99.00869	4.1
101.02446	17.1
109.02982	3.6
112.98730	2.3
113.02435	9.7
114.01017	2.7
115.00368	36.6
119.03449	5.3
123.04562	3.6
125.02438	7.5
125.09698	2.7
135.02991	3.7
145.73177	2.5
151.03922	2.5
151.11311	2.6
161.02484	2.6
161.04533	3.1
169.12384	4.2
171.10251	13.0
175.02477	61.5
179.10672	5.2
183.13889	12.7
191.05701	2.6
193.05086	2.5
193.12254	4.3
197.09990	4.6
197.11810	72.9
209.11871	3.6
211.13380	100.0
211.15422	5.1
212.13704	7.2
217.42758	2.8
223.13329	4.6
239.12874	6.5
241.10661	3.2
241.14403	4.6
273.16971	2.9
285.13489	5.9
397.13647	5.9
403.05496	2.6
695.24060	2.8
715.35437	34.5
716.36438	3.8
745.36548	7.2
787.37921	3.6
833.38086	62.9
834.38733	12.1
865.40582	51.9
866.41089	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	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	0.8
70.31537	1.2
70.31916	1.3
81.03465	1.4
83.01377	3.9
84.37325	0.6
93.03477	1.2
95.01370	0.8
95.05030	0.9
97.02944	1.8
105.03506	0.7
107.05033	1.9
108.02133	0.6
109.02952	13.2
117.03459	0.7
121.02966	2.6
123.04552	9.0
125.02449	100.0
126.02787	2.9
131.05042	1.9
133.02962	6.4
135.00926	0.7
135.04527	2.7
137.02431	13.4
139.03969	1.6
147.04509	1.3
149.02435	4.0
151.03998	11.0
152.04387	0.6
159.04524	2.4
161.02441	33.2
161.06108	1.6
162.03082	2.4
163.00356	2.6
163.04007	4.6
164.01167	6.7
165.01941	5.4
167.03510	1.1
173.06053	0.9
174.03210	0.8
175.03984	14.9
177.01938	11.3
177.05530	1.5
179.03496	2.5
183.04604	1.2
185.06120	0.7
187.03973	5.4
188.04758	2.2
189.01958	2.5
191.03506	1.2
193.05035	1.0
199.04030	4.1
200.04749	0.9
201.01990	1.4
201.05527	2.2
203.03525	2.6
203.07140	4.5
205.01456	1.3
205.05095	3.9
211.04050	0.9
213.05476	0.9
215.03563	1.5
217.05054	7.9
219.02928	3.6
221.08305	0.7
225.05550	1.4
227.03462	1.1
227.07047	0.7
228.04132	1.6
229.05037	2.1
231.02957	2.1
239.03619	0.7
241.05234	1.0
243.02980	17.9
243.06712	1.3
244.03580	1.4
245.04521	10.4
245.08157	5.3
248.69313	0.8
253.04736	0.8
255.02960	6.0
256.03732	3.5
257.04593	1.7
261.04031	6.0
269.04541	2.4
272.76230	0.7
273.04166	2.2
281.04596	2.3
283.02518	2.1
285.04053	1.8
287.05597	30.7
288.06012	2.2
289.07175	22.4
290.07376	1.6
299.05554	4.7
315.08841	1.9
327.05215	1.1
329.06693	0.9
339.08719	2.3
340.08990	0.7
341.06696	1.9
363.04984	1.2
381.10007	1.3
395.07510	1.0
405.05930	4.3
407.07703	26.0
408.07928	1.6
413.08835	7.4
423.07242	3.0
425.08783	11.7
426.09216	1.4
435.07300	1.4
449.08807	5.9
450.09296	0.8
451.10376	8.5
525.08258	2.6
533.10925	1.2
543.09436	4.4
559.12708	1.6
561.10577	2.3
569.11414	1.5
575.11963	5.6
577.13403	8.3
578.13959	1.8
587.12170	3.4
619.15814	0.7
695.14105	6.1
696.14264	1.3
708.80347	0.8
713.15479	2.7
739.16919	1.8
749.88477	0.7
865.20209	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	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95822	3.1
79.85088	0.7
80.01726	0.6
81.03450	1.3
83.01395	3.7
86.72506	0.7
93.03461	1.4
95.01406	1.0
97.02921	1.4
107.05001	2.0
109.02956	9.5
109.11939	0.6
117.03483	0.8
121.02959	1.7
123.00903	0.7
123.04527	6.8
125.02447	100.0
126.02782	2.5
131.04988	1.0
133.02930	5.5
135.04526	1.1
137.02451	11.6
139.04024	1.2
145.02997	1.0
147.04585	1.0
149.02452	4.1
150.03273	1.0
151.04012	10.0
153.95638	1.0
159.04515	2.6
161.02438	30.4
161.06105	1.7
162.02937	1.6
163.00378	2.5
163.04010	4.1
164.01175	4.9
165.01947	4.0
167.03500	1.4
173.06046	1.1
175.03990	13.1
175.07576	1.0
176.04324	1.0
177.01933	9.9
179.03499	1.7
187.03920	3.4
188.04793	1.2
189.01895	1.4
191.03520	0.9
193.05113	1.6
199.04030	3.4
201.02029	0.8
201.05490	1.8
203.03537	3.3
203.07138	2.3
205.01360	0.9
205.05049	3.1
211.03987	1.3
213.05670	1.5
213.71912	0.8
217.05067	6.3
219.03014	3.5
219.06595	1.1
221.08130	1.0
225.05516	1.2
227.03407	1.9
229.05110	2.0
231.03018	1.7
241.05110	1.4
243.02963	18.8
243.06650	1.0
245.04514	10.6
245.08243	4.3
246.04869	1.2
255.02937	5.7
255.06621	0.9
256.03781	2.4
257.04538	2.4
261.04099	5.4
269.04578	2.8
271.06070	0.8
273.04248	1.7
277.04831	0.7
279.02969	1.1
281.04559	2.0
282.01697	0.9
283.02530	1.1
285.03998	0.9
287.05609	25.7
288.05905	2.1
289.07187	17.1
290.07526	0.9
295.50119	0.7
297.07318	0.8
297.38669	0.9
299.05557	3.4
315.08655	1.6
339.08807	1.9
341.06583	1.2
381.05493	1.0
381.09897	1.5
391.04984	1.2
395.07574	1.1
405.06229	4.8
407.07693	21.2
408.08133	1.8
413.08743	5.9
423.07239	5.2
425.08777	9.6
426.09235	1.4
435.07553	1.3
449.08862	5.3
451.04617	1.0
451.10367	6.2
467.09875	0.8
525.08319	1.5
543.09509	4.7
559.12708	0.9
561.10413	2.1
569.11169	1.4
575.11670	4.9
577.13501	9.2
578.14221	1.3
587.12122	2.2
695.13934	5.3
696.14978	1.1
713.15070	2.3
739.17145	1.8
865.20508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.2
78.95982	0.1
80.96497	0.1
96.54304	0.1
98.20661	0.3
115.03710	0.1
130.53008	0.1
162.71773	0.1
164.76749	0.1
168.90758	0.1
169.99570	0.1
184.27615	0.1
209.11818	0.1
226.49757	0.1
277.21783	0.8
278.21988	0.1
291.19730	0.1
326.84055	0.1
783.47345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50348	0.6
73.26682	0.6
81.03468	1.5
83.01387	3.6
87.00875	1.2
93.03445	1.3
95.01419	0.7
95.05032	0.9
96.96015	2.4
97.02938	2.3
107.05054	1.5
109.02958	10.4
111.00861	0.7
117.03486	0.8
121.02951	2.6
123.04543	8.4
124.01738	0.7
125.02447	100.0
126.02799	3.1
131.05020	1.3
133.02940	4.0
135.00784	0.6
135.04509	2.5
137.02452	13.0
138.03096	0.6
139.04013	0.7
140.07123	0.7
145.02879	1.0
147.04565	1.4
149.00960	4.2
149.02393	3.0
149.06096	0.9
151.03999	8.6
159.04581	4.3
161.02443	32.8
161.06100	2.1
162.03107	1.5
163.00363	2.8
163.03981	3.3
164.01164	6.5
165.01910	4.6
167.03500	1.1
173.06044	1.4
174.03189	0.6
175.03996	13.0
175.07570	1.0
176.01160	1.3
176.04280	0.8
177.01927	10.9
177.05559	1.6
179.03494	2.2
187.03970	4.1
188.04683	0.9
189.01953	1.8
189.05467	0.7
191.02032	0.9
191.03587	0.8
193.05013	1.2
199.03999	4.3
201.01843	1.1
201.05611	1.8
202.06358	0.6
203.03499	2.3
203.07135	4.0
205.01418	1.2
205.05045	3.5
211.04030	1.2
213.05569	1.1
214.02641	0.9
215.03578	0.9
217.05034	7.2
217.06563	0.7
219.03038	3.2
219.06699	0.7
225.05545	1.2
227.03615	0.9
227.07179	0.7
229.05038	2.5
241.05153	1.0
243.02965	16.9
243.06670	1.8
244.03537	1.3
245.04567	10.1
245.08130	4.4
253.05144	0.8
255.02971	6.2
256.03763	2.8
257.04669	1.1
261.03998	6.3
269.04572	2.6
273.04034	1.7
281.04678	2.3
282.01755	1.4
283.02365	1.7
285.04077	2.0
287.05606	30.0
288.06088	1.9
289.07150	19.4
290.07312	0.8
297.07568	0.8
299.05649	3.4
306.72183	0.6
309.04135	0.7
315.08746	1.1
329.06650	1.0
339.08749	2.1
341.06659	1.7
363.05045	1.3
379.08118	1.0
381.09860	1.3
383.07700	0.8
387.05148	0.8
391.04611	1.2
395.07867	1.3
405.06073	5.1
407.07703	21.8
408.08170	2.3
413.08722	6.8
414.09030	1.2
417.05814	0.9
423.07071	5.6
425.08743	12.5
426.09323	1.7
435.07556	1.0
449.08646	6.4
450.09213	1.0
451.10373	7.7
501.13150	0.7
525.08533	1.5
533.11212	0.7
543.09113	4.1
544.09351	0.8
559.13043	0.8
561.10291	3.0
569.11005	2.2
575.11914	7.2
576.12292	1.1
577.13556	11.2
578.14130	1.9
587.11676	3.6
677.13696	0.7
695.14056	5.4
696.14594	1.5
713.15417	2.8
739.17175	1.8
865.20020	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	864.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.1
71.01374	0.1
91.96245	0.1
95.05103	0.1
95.46969	0.1
101.02414	0.1
162.83716	0.1
252.79152	0.1
253.09409	0.1
255.23393	0.2
277.21707	0.6
278.22092	0.3
289.18143	0.7
290.18518	0.5
310.77637	0.1
325.43164	0.1
783.47095	0.1
864.51501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.7
62.58717	0.6
70.97072	0.7
70.97443	1.4
71.01390	5.1
73.02962	1.0
80.96524	1.1
81.03449	1.5
83.01392	1.5
83.05018	1.0
84.33641	0.7
85.02948	0.7
87.00884	1.2
89.02429	3.1
95.05038	1.3
97.02943	1.2
97.06599	2.5
99.00883	0.8
99.92597	0.9
101.02448	4.7
113.02454	2.0
116.92868	4.7
119.08644	0.7
121.06621	0.9
121.51261	0.6
123.04498	2.2
123.08158	1.1
125.09715	2.6
137.09729	2.2
158.28149	0.6
161.04543	1.8
163.11311	4.3
164.98698	0.7
165.12817	0.9
179.05722	0.7
181.12317	1.1
185.11806	3.2
191.14409	6.7
201.22820	0.7
207.10236	2.0
209.11824	10.2
210.12004	0.7
211.13503	0.7
214.12192	0.7
217.15828	1.1
220.26781	0.6
225.11311	2.0
235.08176	1.4
237.11374	3.3
245.19098	11.2
246.19559	0.7
253.09277	15.2
255.23546	0.7
263.20197	3.4
271.17081	2.2
277.21713	100.0
278.22089	8.2
281.21335	0.8
289.18094	77.2
290.18558	5.5
297.13809	0.7
307.19150	56.5
308.19595	4.8
525.27222	2.5
543.28174	1.8
803.49341	1.3
863.49469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	3.0
69.03445	1.5
71.01383	13.1
71.51030	0.6
72.99304	1.5
73.02946	1.5
76.73962	0.4
80.12598	0.3
81.03461	0.7
83.01396	1.2
83.05061	0.5
85.02945	2.8
86.00073	0.3
87.00874	3.4
89.02441	9.9
93.03426	0.4
95.01401	0.7
95.05026	2.2
97.02945	1.8
98.06126	0.4
99.00888	0.7
101.02448	9.7
105.01942	0.5
107.05048	0.8
109.02876	0.6
111.04527	0.4
113.02448	5.0
116.92766	0.4
119.03522	3.0
123.08148	0.4
125.02430	4.0
131.03494	0.5
138.11722	0.3
143.03476	1.8
150.98131	0.4
151.11270	2.4
153.12831	2.5
161.04599	2.2
163.11235	1.0
165.12837	3.8
179.05598	2.3
179.10756	0.6
181.12373	1.1
183.13855	0.8
191.10709	0.6
199.13399	0.9
209.11832	5.9
210.12135	0.6
217.07204	0.6
221.06731	1.0
225.11331	0.6
227.12883	100.0
228.13187	5.1
235.08273	3.6
245.06456	0.4
253.09334	0.6
255.23299	35.5
256.23630	2.4
259.08154	0.5
287.07700	1.2
305.08780	1.5
323.09869	0.6
379.12405	4.3
397.13492	32.2
398.13751	2.1
415.14514	7.1
416.14926	0.4
607.26074	2.8
625.27191	1.6
635.36218	0.5
653.37769	2.9
654.37720	0.6
863.49066	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	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.8
68.99847	0.7
69.03449	1.6
69.80485	2.8
71.01384	22.3
72.99320	2.6
73.02944	3.5
83.01400	2.3
83.05013	0.8
85.02947	5.0
86.00083	0.5
87.00869	3.5
89.02445	15.9
95.01396	2.1
95.05054	0.6
97.02964	3.1
97.06606	0.9
97.33144	0.5
98.20563	0.6
99.00919	1.4
101.02441	14.5
111.00907	0.7
111.04526	0.7
111.08169	1.5
113.02439	6.3
119.03499	4.3
125.02441	4.5
131.03537	0.7
135.24431	0.5
139.04051	0.8
143.03502	1.9
161.04543	2.5
163.11267	0.9
165.12840	6.8
179.05582	1.6
183.13898	51.9
184.14200	2.4
184.72758	0.5
209.11888	3.3
221.06665	2.1
227.12938	3.4
230.01318	0.5
235.08215	2.3
251.46582	0.6
255.23296	70.3
256.23596	5.1
277.21796	1.3
307.02338	0.6
379.12433	1.6
397.13565	12.3
415.14545	2.7
607.26074	1.3
625.27002	0.8
653.37195	0.8
661.45520	0.6
863.50043	100.0
864.50385	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	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	5.2
68.99812	0.4
69.03448	0.9
71.01379	17.1
71.01778	0.9
72.99303	1.6
73.02952	2.7
76.88988	0.3
80.02657	1.2
81.03477	2.3
83.01378	1.6
83.05027	4.3
84.02165	0.9
84.77948	0.3
85.02946	4.2
87.00876	4.5
89.02441	15.0
91.04007	0.3
93.03407	0.5
95.01397	1.2
95.05021	1.2
97.02948	2.6
98.20675	0.8
99.00871	1.2
101.01794	0.8
101.02439	12.2
102.02760	0.4
103.41477	0.4
109.02949	0.7
111.04524	0.6
113.01716	0.6
113.02453	7.3
115.03911	0.4
116.92863	0.9
119.03500	3.6
121.03013	0.5
125.02441	5.4
125.06066	0.6
131.03484	0.5
135.08157	1.0
139.04051	0.5
143.03508	3.0
161.04590	3.1
163.11290	3.9
165.12839	2.1
179.05603	2.7
181.12294	0.4
191.10793	0.9
199.06187	0.5
206.34547	0.4
209.11815	100.0
210.12149	5.9
217.07123	0.8
221.06609	1.2
227.12872	11.9
227.15143	0.6
235.08238	5.6
236.08778	0.4
251.12978	0.4
253.09273	1.1
255.23286	55.1
256.23648	4.3
263.07681	0.7
269.24762	0.4
287.07739	1.4
305.08826	2.0
323.09848	0.7
361.11304	0.3
379.12445	7.7
380.12671	0.7
380.55075	0.4
388.76605	0.3
397.13489	40.7
398.13754	2.6
415.14548	8.6
607.26172	0.5
629.87427	0.4
635.36255	0.4
653.37628	1.1
863.49683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	7.7
69.03432	1.4
71.01385	23.3
72.99317	1.5
73.02943	3.2
83.01382	2.7
85.02972	5.8
86.30091	0.9
87.00867	3.8
89.02441	17.6
93.03452	0.9
95.01373	2.1
97.02949	2.9
99.00858	1.4
101.02450	16.0
101.09563	1.0
113.02441	7.9
116.92839	2.5
119.03489	4.8
125.02485	5.1
131.03496	1.4
133.95657	0.8
143.03461	1.4
147.72920	0.9
149.00719	0.9
161.04541	3.1
161.05719	0.9
165.12865	6.0
179.05582	3.9
181.12411	1.1
183.13896	52.5
183.84512	0.8
184.14180	2.4
199.13454	4.5
209.11829	13.1
221.06644	3.5
227.12881	20.2
235.08170	2.7
253.09143	1.5
255.23299	46.7
256.23599	3.9
277.22089	1.1
285.68143	1.0
287.07806	1.1
291.19675	1.8
293.21216	1.3
379.12408	1.7
397.13504	21.2
398.13474	1.6
415.14349	3.8
607.26001	3.6
625.27197	2.1
653.37506	1.8
712.95056	1.0
863.50073	100.0
864.50305	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	863.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	27.1
65.22649	2.1
69.03440	4.6
71.01380	24.6
71.05020	2.3
72.99320	3.7
73.02949	3.9
75.00858	7.6
83.01376	5.1
85.02942	7.5
87.00884	17.9
88.98798	1.8
89.02448	15.8
95.01398	2.1
97.02997	2.4
99.00897	3.0
99.29915	1.8
101.02453	13.9
113.02428	7.0
115.00364	18.2
119.03436	2.4
125.02477	4.6
125.09645	3.1
127.03917	2.4
131.18752	1.7
137.02519	2.2
141.79025	2.0
151.11249	3.6
161.09714	3.2
163.04073	2.4
165.12555	1.7
171.10197	6.2
175.02495	37.5
179.10735	7.1
197.11830	54.6
198.12210	3.1
207.10115	2.4
209.11804	7.7
211.13307	6.4
223.09789	2.8
223.13373	2.9
241.10831	3.7
241.14444	63.9
242.14766	4.4
255.12373	2.3
283.40005	2.0
285.04062	3.0
306.07413	3.2
397.13345	5.2
745.36493	15.1
863.39081	100.0
864.39746	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	863.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	14.0
65.43580	1.6
69.03443	8.5
69.49651	8.7
69.50065	2.8
71.01009	2.2
71.01382	30.2
71.05007	3.2
71.94233	1.6
72.99315	8.8
73.02943	3.8
75.00873	12.5
81.03482	1.6
83.01386	6.7
85.02950	12.9
87.00877	20.4
88.98808	1.4
89.02427	12.8
95.01380	3.1
97.02940	2.8
97.06577	1.6
99.00874	4.4
101.02450	15.1
108.77972	1.7
109.02941	3.1
109.38154	1.5
113.02463	8.6
115.00381	21.5
116.00748	2.3
119.03499	3.3
119.04987	2.2
125.02444	3.7
125.09708	5.4
125.72989	1.4
129.23602	1.6
135.02974	6.7
135.04524	2.2
139.00362	2.0
151.04010	2.4
151.11310	2.6
153.12872	3.6
157.01369	2.3
161.04562	5.3
161.09705	4.9
165.05553	2.8
169.12314	2.6
171.10268	12.8
175.02469	34.3
175.96980	2.0
176.02748	3.5
179.10712	9.6
189.12897	1.8
193.05051	1.8
195.13878	4.5
197.11819	100.0
198.12148	7.3
207.10204	2.7
209.11890	9.0
211.13361	2.4
221.11795	2.8
223.09752	3.4
223.13345	4.1
225.11484	2.4
239.12846	5.5
241.10823	6.0
253.09238	2.9
261.63852	1.8
267.12335	2.5
285.13486	1.8
289.07437	1.7
371.20761	3.9
439.19431	10.6
455.19019	12.0
477.20355	1.7
481.20764	3.6
631.29749	6.4
687.31964	14.9
688.32538	3.5
689.33362	2.2
699.32208	3.1
727.31305	7.2
728.31403	2.0
729.33240	2.5
743.31409	22.4
744.31451	6.8
745.32892	51.7
746.33453	12.0
767.31360	3.2
803.33209	12.8
863.35706	29.8
864.36926	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	862.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.01392	0.5
71.51761	0.2
85.02970	0.2
87.00884	0.5
88.98846	0.3
92.43369	0.2
92.44012	0.2
105.03165	0.2
115.00388	0.8
175.02515	1.6
211.13397	0.4
228.54880	0.2
232.06197	0.2
397.13354	0.2
409.12097	0.2
415.98764	0.2
444.19519	0.2
745.22534	0.2
784.38000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36141	0.6
66.72456	0.7
68.17275	0.7
71.20508	1.2
77.03973	1.7
79.01897	1.6
93.03475	1.4
100.45757	0.7
105.03437	0.7
111.68382	0.8
117.03474	7.4
119.27903	0.7
121.02962	1.8
133.02898	0.7
134.71220	0.7
135.04532	1.7
143.58733	0.7
149.02441	2.2
159.04474	1.6
159.27103	0.7
161.02458	3.2
163.04039	2.6
164.11623	0.6
165.01968	0.8
173.02504	0.7
197.06110	1.2
203.03391	0.7
211.07515	1.0
215.07072	0.7
239.07143	2.1
267.30060	0.7
268.03699	2.3
269.04474	2.3
281.04504	2.2
282.05356	1.7
283.06104	46.9
284.06335	3.1
293.04541	2.4
295.06125	1.5
311.05594	75.6
312.05933	7.4
323.05621	3.2
341.06616	8.6
431.09802	100.0
432.10056	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	861.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	17.5
67.84679	3.1
71.01381	35.3
71.50878	5.0
72.25152	3.5
72.99312	10.8
73.02954	6.9
83.01377	3.8
85.02941	5.4
87.00867	5.4
88.98801	3.7
89.02463	31.2
95.01355	3.5
96.36595	3.1
97.02946	7.9
98.18465	2.8
100.42026	3.5
101.02443	24.3
109.06647	3.7
113.02458	10.9
116.92857	10.4
119.03529	5.5
125.02457	12.5
135.96404	3.4
143.03503	4.3
143.10777	69.8
161.04550	5.7
163.11252	4.8
179.05605	6.1
207.10281	18.7
225.11293	8.8
235.08249	12.4
255.23181	16.5
277.21732	100.0
277.24725	5.1
278.22098	7.6
313.71802	4.0
379.12518	28.0
397.13470	70.5
398.13748	5.9
415.14322	13.1
502.42999	3.3
511.65759	3.7
523.23700	4.1
541.24457	5.6
590.11438	3.5
861.48511	11.4
862.49609	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	861.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98589	0.8
61.98830	10.0
69.03432	2.6
71.01379	19.5
71.05012	3.2
71.50213	1.0
72.99301	2.1
73.02937	3.1
74.84777	0.8
75.00852	1.5
81.03442	1.8
83.01378	3.4
83.05042	1.1
85.02961	4.8
87.00875	6.5
89.02453	9.6
95.01398	1.8
95.05032	1.4
97.02364	1.0
97.02952	13.9
97.06591	3.1
99.00883	27.8
99.01532	1.3
101.02448	11.1
104.51717	0.9
107.60071	0.8
109.02961	1.1
109.06567	2.5
110.03748	1.5
113.02446	4.8
116.92877	1.8
117.65437	0.7
119.03489	3.1
123.08147	2.0
125.02474	7.1
125.09723	9.9
135.08147	1.2
136.05284	1.9
137.91444	0.9
142.02707	2.7
161.04530	2.0
161.09665	1.0
163.11282	12.2
164.09213	0.8
164.11636	0.8
171.80219	0.9
179.05563	2.2
179.10767	1.0
181.12338	18.1
182.12666	1.4
199.13339	3.2
207.10252	61.4
208.10590	2.8
217.06892	0.9
225.11320	100.0
226.11653	3.2
235.08186	3.7
243.12366	35.0
244.12723	1.5
255.23289	70.6
256.23602	5.0
263.07663	1.5
278.21954	1.0
291.19424	1.1
299.15146	0.9
317.16074	2.2
331.13913	0.9
379.12341	2.3
397.13409	11.7
415.14352	1.8
507.15289	0.9
512.35071	1.2
605.24536	18.8
606.24725	3.0
623.25610	11.0
624.25824	1.7
648.08856	0.9
678.82001	1.0
858.97888	0.9
861.48499	87.7
862.48792	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	859.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	3.7
63.64260	0.6
68.76814	0.6
68.99832	0.7
69.03448	3.6
71.01379	25.3
72.99284	1.9
73.02946	4.2
78.38117	0.6
81.03458	1.2
83.01382	2.6
85.02932	5.5
87.00865	5.9
89.02441	20.1
93.03445	0.7
95.01379	1.8
95.04996	0.7
97.02951	4.0
99.00875	1.8
101.02442	17.7
109.02949	0.9
113.02451	8.9
119.03519	4.9
125.02439	6.8
131.03502	1.0
133.05045	0.9
141.01961	0.7
143.03490	3.5
149.09698	0.8
161.04539	4.7
165.76096	0.7
167.10776	3.1
177.12775	0.7
179.05608	6.1
179.10793	1.1
179.14415	3.1
195.13858	8.8
205.12309	7.0
217.07178	1.0
221.06671	1.9
223.13379	100.0
224.13698	5.4
235.08208	5.4
253.09290	1.3
255.03195	0.6
255.23273	80.4
256.23605	4.4
259.08051	0.7
269.24796	0.9
287.07593	2.2
305.08856	2.3
323.09808	1.9
379.07907	1.2
379.12430	10.8
397.13470	57.4
398.13687	4.9
415.14545	11.0
603.26538	8.7
604.26587	0.9
621.27539	5.4
622.28107	0.8
635.36279	2.0
636.53137	0.8
653.37518	3.7
859.50702	2.4
860.52924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	10.3
70.93518	7.8
71.01378	4.1
89.02444	5.3
91.48399	3.5
101.02438	5.4
103.00361	10.7
113.02487	4.0
116.92847	14.6
129.43141	3.2
160.15430	3.3
171.10258	15.6
211.13371	5.2
229.14401	5.1
235.08223	34.6
253.09189	34.4
253.11053	3.2
256.14435	3.6
277.21692	100.0
278.22107	6.2
291.19669	4.8
309.20697	20.3
327.21750	96.0
328.22049	9.8
452.86856	3.3
513.30603	6.9
545.29578	16.7
563.30652	8.3
587.43231	4.3
823.51483	7.3
859.50018	27.4
860.49817	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	857.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	2.1
71.01385	5.0
71.50469	0.9
72.99310	7.6
73.02912	0.9
83.05025	0.9
85.02950	9.3
87.00877	14.5
93.03462	15.6
96.96040	1.8
103.00378	2.9
105.01964	0.7
108.02190	3.3
109.02962	9.3
111.00918	0.8
111.04512	4.3
115.00393	6.3
115.09611	0.5
116.81290	0.7
121.02933	1.4
123.04461	1.3
127.04008	2.0
135.04535	20.8
137.02454	2.8
148.05286	1.6
149.00923	36.6
149.06071	3.3
150.01291	1.0
155.03520	2.7
161.06053	5.2
163.07649	0.6
173.04546	46.7
174.04909	1.1
179.03513	18.3
185.05923	0.7
185.98160	0.6
187.04044	1.0
191.05614	100.0
192.05980	3.5
213.03574	0.7
213.05499	1.0
226.06316	1.1
241.05197	1.3
242.05853	13.0
243.06630	15.6
244.06934	1.0
268.36993	0.6
269.08188	0.9
271.09760	19.7
272.10052	1.3
289.05695	2.0
296.94458	0.7
297.07651	1.7
315.08652	0.8
341.06509	1.2
353.08780	17.9
354.09171	1.8
359.07739	15.1
360.08060	1.2
386.55878	0.7
427.29105	0.7
463.10709	2.1
489.14273	1.8
515.12183	0.9
533.13031	29.5
534.13763	3.6
537.93384	0.7
618.28381	0.7
707.18280	44.0
708.18396	5.6
867.95648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01732	0.4
61.98838	1.3
63.77024	0.3
69.03459	2.3
71.01381	18.1
71.05064	0.3
71.52016	0.6
72.99306	1.5
73.02939	3.1
75.00882	0.5
81.03460	0.6
83.01400	2.3
85.02950	4.1
87.00884	4.1
89.02441	15.1
93.03448	0.5
95.01403	1.1
97.02948	2.9
99.00890	1.4
99.92548	0.4
101.02439	14.1
101.03108	0.7
109.02993	0.7
111.00905	0.7
111.01682	0.3
111.04493	0.7
113.02448	7.8
114.93443	0.5
116.92861	2.1
119.03498	4.1
121.02979	0.4
123.04489	0.4
125.02451	6.9
127.04108	0.4
131.03534	0.5
137.02487	0.6
139.04051	0.5
139.19931	0.4
141.01965	0.5
143.03477	2.3
151.11269	0.7
153.09219	0.4
153.12830	1.3
159.10274	0.7
161.04544	3.1
167.03453	0.5
167.10767	0.4
169.12325	6.4
170.12653	0.4
172.52661	0.3
179.05632	4.4
179.10789	0.6
197.11823	100.0
198.12157	5.2
199.06133	0.5
217.07204	0.9
221.06622	1.4
225.18771	0.3
235.08234	5.8
239.12891	0.6
253.09242	0.8
255.23366	0.4
277.21701	54.5
278.19247	0.6
278.22049	4.7
287.07901	1.7
305.08774	2.0
323.09808	0.9
379.12448	8.1
380.12714	0.6
397.13474	41.5
398.13791	2.9
415.14569	11.1
415.19376	0.4
416.14456	0.5
577.24939	2.7
595.25714	2.1
596.26361	0.6
668.04248	0.4
675.35638	1.1
849.95142	0.4
855.47772	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	855.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	2.2
69.03454	1.8
69.29440	2.9
71.01382	16.9
72.99312	1.6
73.02953	2.7
75.00882	0.4
81.03468	1.1
83.01385	2.5
83.05046	0.8
85.02946	4.9
87.00877	4.7
89.02444	15.0
95.01407	1.7
97.02948	3.3
98.19879	0.6
99.00877	1.2
99.04514	0.3
99.92590	0.4
101.02446	12.4
103.40189	0.3
109.02984	0.7
111.00901	0.4
111.04512	0.4
112.80633	0.3
112.98532	0.3
113.02448	8.3
114.93410	0.9
115.03975	0.5
116.92877	1.6
119.03511	3.1
123.04504	0.4
124.01654	0.5
125.02454	6.4
131.03535	0.9
133.05092	0.6
137.02406	0.6
139.07524	0.3
141.01965	0.3
143.03476	2.6
153.09245	0.4
153.12842	1.2
161.04550	3.6
165.01947	0.6
167.03496	0.6
169.12338	6.1
179.05617	4.3
179.10805	0.7
197.11829	100.0
198.12167	4.9
199.06235	0.6
217.07143	1.1
221.06636	1.2
235.08224	5.8
245.06674	0.6
253.09344	0.8
255.23480	0.5
259.08224	0.6
277.21719	53.9
278.22061	5.0
287.07703	1.7
291.19821	0.7
301.05402	0.4
301.09036	0.3
305.08798	1.9
309.20480	0.4
323.09888	1.3
379.12448	8.5
380.12573	0.6
397.13489	38.3
398.13806	2.1
415.14542	9.0
415.19809	0.6
416.14798	0.5
469.14001	0.3
485.20331	0.3
577.25305	2.5
595.26031	2.1
596.25830	0.4
657.34851	0.5
675.35718	0.9
683.53625	0.3
855.48132	2.3
856.48230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	6.5
68.08897	1.0
69.03452	2.3
71.01380	19.4
71.50653	1.0
72.99309	1.2
73.02935	2.7
83.01366	1.8
83.72453	1.0
85.02947	5.0
87.00871	4.0
89.02448	17.6
95.01389	1.2
96.95988	1.1
97.02927	4.0
99.00890	1.8
101.02442	12.2
109.02942	1.3
111.04539	1.9
113.02457	8.1
114.93402	1.9
116.92900	2.4
119.03510	5.5
119.04231	1.0
123.04501	1.0
123.74178	1.0
125.02446	6.9
137.02451	2.3
143.03468	1.9
153.12791	1.4
161.04533	4.4
165.01900	2.1
168.06374	0.9
169.12341	5.4
179.05576	3.6
184.94231	0.9
195.10300	3.2
197.11832	100.0
198.12181	5.0
221.06638	1.9
235.08208	5.9
253.09309	1.3
277.21722	62.1
278.21997	5.3
287.07538	2.0
291.19553	4.3
293.21021	1.6
304.03934	1.1
305.08688	2.1
309.20544	1.9
323.09955	1.2
379.12518	9.5
397.13467	42.9
398.13730	2.7
415.14581	9.7
577.24524	1.7
595.25769	1.2
855.48322	8.6
856.47278	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	855.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	58.2
63.14712	8.1
70.65847	9.7
71.01393	8.2
71.51608	11.4
85.02968	7.9
96.03231	7.7
109.06592	19.2
109.07938	7.3
115.91994	8.4
116.92855	33.1
118.60276	8.2
153.40906	8.7
197.11807	29.7
205.74115	8.2
207.10248	82.4
225.11314	28.2
235.18695	10.1
253.09283	16.0
277.21692	100.0
278.22052	14.0
287.16306	18.0
305.17572	17.0
404.94424	10.9
443.18967	17.2
541.26624	11.0
721.41748	56.3
722.41974	28.8
771.50122	9.3
801.47064	14.8
855.47186	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	77.3
71.01373	18.8
78.95925	24.8
85.02942	16.5
96.96006	74.1
96.96963	35.7
98.19901	59.0
98.95593	34.9
99.00874	20.8
115.92071	100.0
116.92875	69.7
197.11832	98.0
229.48486	19.4
230.42647	17.2
277.21750	64.0
289.17941	17.6
293.21191	66.5
307.19260	38.9
309.21280	16.7
397.13303	34.8
855.47046	70.9
856.47461	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	853.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81404	0.7
70.02978	3.5
70.57917	0.8
71.01384	4.0
71.52531	1.5
72.00899	1.0
72.04547	0.9
74.02473	26.3
76.63091	0.7
81.28849	0.8
89.02455	2.8
98.02471	5.3
116.03535	5.4
116.05062	10.1
117.03451	6.9
130.06584	1.6
131.01367	1.7
142.06667	1.9
159.09242	2.1
161.02449	1.9
163.04044	1.3
173.02420	4.7
175.00365	7.0
201.10332	2.0
203.08261	23.8
220.46901	0.8
231.45128	1.0
245.09300	57.3
246.09612	4.5
246.11801	0.8
249.05777	1.4
255.05409	0.9
269.04504	2.8
281.04559	1.7
282.01974	0.9
282.05154	1.3
283.06073	3.3
284.06525	1.0
289.08466	1.0
293.04553	100.0
294.04904	7.4
295.06033	1.1
311.05563	10.0
312.05774	0.9
323.05658	2.0
335.05338	1.3
341.06619	4.0
413.08762	37.0
414.09113	2.0
443.09665	1.3
456.25891	0.8
563.14044	89.7
564.14374	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	850.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98541	0.1
67.75484	0.1
69.93233	0.4
90.39515	0.1
91.53882	0.1
194.45937	0.1
194.84209	0.1
238.97755	0.1
241.87335	0.1
370.01941	0.1
425.02304	0.1
519.66077	0.1
535.72064	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	852.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98538	0.2
69.23923	0.1
69.84225	0.1
70.25212	0.2
70.25600	0.3
98.19939	0.1
113.32561	0.1
124.15748	0.1
142.76009	0.1
674.33752	0.1
708.54944	0.1
748.97369	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	850.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98526	0.2
63.99272	0.2
69.48354	0.4
69.48756	0.9
72.99313	0.2
73.22211	0.2
78.95901	0.2
94.92454	0.2
96.96021	0.7
112.11321	0.2
112.98837	0.2
116.92882	0.3
119.07481	0.2
122.90929	0.2
152.11836	0.2
198.80045	0.2
209.11931	0.2
289.07294	0.3
517.66718	0.2
634.87720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	1.8
59.01386	20.8
61.98833	25.7
69.27647	1.6
71.01385	16.7
71.50864	3.1
73.02934	2.6
82.09199	1.9
83.01355	2.3
85.02949	4.4
87.00883	3.6
89.02457	15.9
97.02963	2.3
97.06612	3.5
101.02437	12.9
113.02437	4.8
113.05257	2.1
116.92864	12.8
119.03493	3.3
125.02444	4.8
139.04079	2.5
143.03568	1.9
151.11279	12.7
152.99596	2.4
169.12341	51.4
185.11826	3.9
213.11339	10.9
235.08133	2.3
255.23300	56.3
256.23599	5.3
260.08310	2.0
272.68420	1.8
314.70316	2.0
397.13519	7.5
452.84811	2.1
465.78653	2.0
593.24713	3.3
849.48547	100.0
850.48798	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	848.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49368	0.1
59.57690	0.1
60.07315	0.1
61.98829	100.0
62.98521	0.1
69.58887	0.6
72.99299	0.1
88.98801	0.2
98.19906	0.2
113.01362	0.1
116.85116	0.1
127.07699	0.1
153.11411	0.1
173.04623	0.2
180.21860	0.1
397.13837	0.2
610.44354	0.1
650.34180	0.1
674.94196	0.1
758.91357	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	849.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.6
71.01055	0.5
71.01392	5.7
71.51926	0.9
73.02939	1.9
73.09720	0.4
81.03481	0.5
83.01389	2.3
85.02974	2.7
86.60269	0.5
89.02462	2.2
93.03457	0.9
95.01348	1.0
97.02943	1.0
99.00883	0.9
101.02447	5.0
107.01373	0.5
109.02959	4.3
110.78761	0.5
113.02436	2.2
119.03488	0.8
119.05029	1.3
121.02942	2.0
123.04520	1.6
123.08130	0.7
125.02448	7.9
133.02969	10.9
135.04532	1.2
137.02454	3.2
147.04523	1.7
149.02399	1.4
151.00404	0.9
151.04004	1.3
159.04543	0.5
161.02383	2.8
161.06030	0.7
163.00395	2.2
163.04022	3.2
164.01164	3.5
165.01891	3.5
173.02367	0.6
175.03966	3.9
175.13719	0.5
177.01895	1.6
177.12851	1.0
179.03487	0.9
185.06056	0.5
187.04092	0.5
191.03479	2.2
193.01385	1.1
195.13828	0.5
198.03114	0.4
199.03992	1.4
201.01874	1.5
203.07204	0.8
211.04051	1.0
212.04779	0.5
213.05481	0.7
217.04993	0.9
221.11813	0.8
225.05579	1.1
227.03477	0.9
227.07129	0.4
229.04941	1.2
240.04315	0.6
241.04955	0.9
245.08054	0.9
253.04985	1.1
255.03004	1.3
255.06581	1.0
256.03775	0.7
257.04535	0.8
269.04489	1.0
270.05249	0.6
271.06094	2.3
281.04547	1.1
284.03232	8.2
285.04001	7.4
286.04575	0.6
287.05600	1.0
289.07208	4.5
297.04037	15.8
298.04764	7.6
299.05585	18.3
300.05954	1.1
309.04071	0.7
311.05643	2.3
325.03622	1.2
327.05093	96.6
328.05429	8.7
339.05121	2.7
341.06625	1.1
351.05173	0.7
357.06143	22.7
358.06482	2.1
369.06189	2.0
393.06216	0.9
401.18188	40.6
402.18454	4.5
407.07791	2.5
433.09537	1.1
447.09341	100.0
448.09683	12.3
451.51163	0.5
559.12445	1.1
561.14203	1.1
715.76147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01121	1.2
59.01385	17.8
61.26413	1.1
61.98833	15.8
69.03445	3.6
71.01385	21.4
71.05002	2.3
72.99304	3.1
73.02946	2.4
75.00874	2.5
81.03487	1.1
83.01379	3.0
83.05004	1.1
83.57025	1.2
85.02943	4.7
87.00884	13.5
88.98822	1.7
89.02440	9.8
95.01376	2.4
97.02955	8.6
97.06605	1.3
98.20595	2.9
99.00880	8.3
101.02445	10.3
109.02945	2.0
109.06586	2.5
113.02460	7.0
115.00382	15.8
119.03519	2.0
123.08163	1.6
125.02414	5.3
125.09757	6.0
135.04486	1.3
137.09549	1.2
142.02722	1.6
151.04120	1.4
151.11269	2.8
157.01418	1.6
161.04497	1.8
161.09711	5.1
163.11337	5.8
171.10280	2.0
175.02480	24.9
175.03969	2.1
176.02725	1.5
179.05612	1.4
179.10759	7.4
181.12347	11.0
185.11815	1.7
190.02664	1.3
197.11856	48.5
198.12164	4.1
199.13326	1.3
207.10283	29.7
208.10724	2.1
209.11795	4.8
211.13362	3.7
221.06689	2.0
225.11330	31.6
226.11841	1.5
239.12799	1.7
241.10771	4.2
243.12384	2.4
283.66742	1.2
305.14246	1.2
397.13428	1.4
421.36383	1.2
671.33026	5.3
729.33478	2.5
747.33728	2.1
803.37915	1.9
847.36102	100.0
848.36438	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	845.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	8.1
61.98829	86.2
71.01389	8.1
71.51205	5.4
84.38032	3.4
87.00902	4.5
88.98817	18.7
89.02431	3.8
101.02460	6.3
101.18349	3.3
125.09724	3.5
154.26775	3.3
159.71028	3.6
163.11282	10.8
165.12846	5.6
168.68712	3.1
183.10280	5.4
191.14436	5.1
209.11832	100.0
210.12126	5.3
227.12836	14.8
236.43266	3.4
242.31346	3.7
245.19064	8.8
253.09331	19.8
259.15482	62.5
289.18057	47.6
290.18594	4.3
307.19138	39.9
393.03299	3.9
482.45630	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	845.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.3
61.98835	9.2
69.03450	1.8
71.01385	15.9
71.50902	1.0
72.99285	1.3
73.02940	1.8
75.00887	0.6
81.03455	0.7
83.01386	2.0
83.05026	1.0
85.02969	3.6
87.00887	3.2
88.98821	1.4
89.02451	11.8
95.01385	1.2
95.05005	1.4
97.02930	2.0
97.06595	13.6
99.00884	0.8
101.02448	9.7
113.02454	5.2
119.03496	2.5
123.08176	7.6
125.02444	1.7
125.09730	68.1
126.10077	3.4
143.03441	0.7
143.10803	1.0
154.65698	0.6
161.04518	1.4
169.08656	1.6
179.05725	0.7
187.09763	34.5
188.10088	1.2
195.14009	0.6
221.06691	1.3
235.08228	2.3
253.09254	1.2
273.17120	6.1
277.21735	28.1
278.22067	2.6
293.21225	3.9
397.13531	4.3
415.14194	1.1
417.06500	0.6
478.16522	0.7
506.53925	0.7
567.22968	2.1
585.23608	2.5
845.45398	100.0
846.45758	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	845.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.8
61.98831	23.2
63.73616	0.5
65.24876	0.6
69.03439	1.0
70.51496	0.6
70.51820	1.4
71.01383	11.3
72.99319	0.6
73.02950	1.9
75.00863	1.6
83.01378	0.9
83.05032	0.9
85.02969	3.1
87.00882	3.4
88.98801	0.8
89.02445	9.9
95.01384	1.0
95.05017	1.8
97.02960	1.5
97.06596	14.8
99.00816	0.5
101.02443	8.2
113.02470	4.0
119.03504	2.3
123.08157	7.4
125.02438	1.9
125.09726	100.0
126.10055	4.1
143.03548	1.2
143.10767	1.6
161.04562	1.4
165.87907	0.5
169.08719	2.3
179.05586	2.0
187.09758	64.6
188.10059	2.8
211.09743	1.0
215.84608	0.5
221.06670	3.6
235.08229	0.7
253.09314	1.0
261.13504	0.9
270.46381	0.6
273.17087	5.1
274.17450	0.7
275.19916	0.7
277.21680	11.1
278.21866	0.9
293.21158	2.2
397.13425	1.2
405.17410	0.7
449.23233	0.7
567.22852	2.9
585.24109	6.9
827.45111	0.7
845.45331	90.3
846.45703	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	845.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.6
61.98829	23.6
65.20139	1.7
68.50602	2.0
69.03452	10.4
69.48923	3.1
69.49332	9.3
71.01383	26.1
71.56171	2.3
72.99314	10.5
73.02953	6.2
75.00876	27.2
77.08343	2.0
81.03481	1.9
83.01397	3.7
83.05004	4.1
85.02953	8.6
87.00879	17.5
89.02438	15.0
93.03526	2.3
97.02938	4.5
99.00887	3.7
99.70592	1.6
101.02444	16.7
106.06734	1.9
109.02940	3.4
109.06629	2.0
113.02466	10.8
115.00375	30.2
119.03475	1.9
123.04547	4.5
123.08131	3.0
125.02424	5.5
125.09717	5.9
126.60078	1.9
137.02515	1.9
141.57465	2.0
142.02823	1.6
147.25809	1.6
151.04034	2.1
151.11325	2.3
161.09679	3.0
167.10788	4.6
169.12302	3.2
171.10254	13.4
175.02481	41.2
176.02791	4.6
179.10793	7.2
179.14426	5.1
193.12463	1.7
195.13902	12.5
197.11826	76.7
198.12141	4.1
201.72708	1.8
205.12268	11.4
206.12772	2.0
207.10281	1.6
209.11748	2.1
211.13293	5.1
221.06458	3.2
221.11623	2.3
223.13388	61.8
224.13710	2.4
235.08304	2.1
239.12801	4.5
241.10854	4.8
241.14491	3.7
253.09238	4.9
267.12274	2.7
285.13455	7.1
333.68616	2.1
397.13547	3.2
459.21893	2.3
503.21579	2.5
536.94684	2.4
725.33453	5.0
727.35406	32.7
728.35577	7.4
767.34692	6.1
785.35852	3.4
845.38062	100.0
846.38550	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	845.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.1
69.45351	3.0
71.01384	2.0
73.02937	0.9
77.03984	1.8
79.01936	1.1
81.03455	0.9
85.02949	0.7
93.03454	4.0
99.04526	30.0
100.04847	0.7
101.02446	7.9
105.03464	0.8
111.04544	0.7
113.02449	1.2
117.03474	9.0
119.05010	1.1
121.02969	2.4
125.02459	16.1
126.02779	0.7
135.04536	2.6
143.03537	2.4
145.02905	0.6
147.04552	0.9
149.02435	2.0
159.04506	2.1
161.02484	3.0
161.04549	1.3
163.04022	3.6
165.01918	0.8
173.02464	1.0
173.04552	7.8
175.04015	0.7
179.03598	0.9
191.03514	1.4
203.03433	1.1
211.07669	0.6
225.05626	0.6
232.09792	0.8
239.07236	1.3
241.05109	0.6
251.09549	0.6
268.03851	1.7
269.04602	2.1
269.10352	3.0
281.04523	2.3
282.05362	2.1
283.06128	47.5
284.06473	3.0
293.04660	2.4
295.06250	1.2
311.05637	81.9
311.10855	5.9
312.05960	7.1
323.05530	3.5
341.06659	6.7
342.07037	0.6
351.14255	1.3
412.16360	0.7
413.14709	8.5
414.14926	1.1
431.09836	100.0
432.10178	12.1
716.60297	0.6
753.16742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	90.8
70.36073	20.0
70.95957	23.0
70.96286	51.1
123.40575	22.6
131.20335	22.3
159.04944	20.6
197.11845	22.7
245.36952	21.3
277.21631	100.0
279.23224	30.3
309.20807	72.7
558.45483	25.4
628.91949	24.2
841.48108	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	845.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.5
61.98825	23.3
63.02370	1.6
69.18349	11.2
69.18919	1.1
71.01382	15.0
72.99303	2.4
73.02943	1.8
76.88353	1.0
83.01408	1.4
85.02940	4.5
87.00896	2.9
88.98805	3.5
89.02448	13.5
93.03427	1.8
95.01380	1.7
96.95992	3.0
101.02424	4.6
107.01397	1.7
113.02428	3.6
115.00352	1.5
115.44930	1.1
116.92827	2.1
117.03453	28.4
118.45343	1.2
119.03484	1.3
119.05013	1.8
125.02444	2.5
133.02975	1.7
135.00877	1.8
135.04530	1.8
137.02435	2.7
145.02968	1.7
149.02391	2.8
151.00360	2.1
151.03937	1.7
159.04550	2.2
161.02438	21.2
163.00383	11.9
163.03987	2.3
165.05630	1.5
173.02373	3.0
175.00369	5.5
175.02501	1.8
175.03909	3.1
177.01913	2.2
179.03496	1.7
185.02406	5.4
193.04944	1.6
204.00529	2.1
237.05649	1.7
249.05597	1.4
253.04959	1.6
265.05133	2.1
266.05759	2.6
267.06693	1.5
269.04550	32.2
270.05035	2.6
277.05060	1.5
281.04541	100.0
282.04974	9.3
283.06061	4.1
289.07623	1.1
293.04517	63.6
294.05103	8.3
295.06091	3.9
305.04510	4.9
306.04904	2.0
307.06070	4.8
309.04053	1.2
311.05606	4.2
314.04501	1.5
322.04803	24.8
323.05533	14.2
324.05905	1.4
326.04175	2.5
335.05493	2.5
341.06589	3.7
353.06778	2.2
365.06750	1.7
413.08798	10.1
425.73828	1.1
444.10541	1.4
455.09821	8.5
455.19104	2.8
457.20584	3.0
563.14050	57.1
564.14453	7.4
575.14020	75.2
576.14355	10.5
695.13440	1.9
845.19183	26.7
845.31696	1.0
846.19000	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	841.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.6
60.91600	4.7
61.98833	70.1
63.38341	5.3
66.32642	4.6
67.91615	5.3
71.01377	12.7
88.98803	8.6
89.02434	10.4
113.02457	9.1
116.92883	8.3
118.58202	5.2
120.35386	4.9
125.02451	7.2
149.00906	7.6
155.10654	4.5
161.04533	7.7
171.10291	8.1
175.02473	6.2
197.11739	4.8
209.11835	100.0
227.12849	16.4
235.08258	11.0
253.09288	32.9
258.97424	6.3
259.15506	11.0
293.94205	5.7
307.24124	5.8
309.20825	7.9
309.46582	5.7
327.18216	7.4
327.21780	74.3
340.35129	6.4
436.59525	5.3
445.20667	15.2
449.33636	5.8
455.77725	6.1
545.29779	12.3
563.30725	15.2
841.43518	43.1
842.43573	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	839.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77615	0.6
59.01368	5.3
61.91827	0.6
61.98828	6.7
64.21594	0.6
64.98347	0.7
69.03456	1.8
69.87200	3.8
71.01382	6.7
73.02940	1.9
85.02956	5.4
86.86394	0.7
87.00905	1.5
89.02459	4.9
96.96003	2.2
97.02986	0.9
97.06578	2.6
98.20676	1.0
101.02435	5.9
113.02427	2.3
119.03468	0.8
125.02403	0.9
125.09709	0.7
127.11189	0.8
131.04601	1.5
155.10759	0.9
161.04529	2.9
171.10265	13.5
177.12819	1.0
179.05617	1.1
183.13928	2.0
185.11835	1.1
195.13895	8.8
196.14433	0.8
209.11792	2.1
211.13380	12.3
212.13643	1.1
221.11754	2.1
223.13414	5.1
225.27190	0.7
229.14450	9.4
235.08244	7.5
239.12878	1.9
247.20697	0.9
253.09279	31.8
256.13181	1.2
275.20108	6.2
291.19601	3.8
293.21231	100.0
294.21548	9.8
309.20700	7.9
327.21753	71.0
328.22061	8.0
352.91785	0.7
470.12131	0.9
470.86368	0.8
529.30188	2.7
545.29529	1.8
563.30566	5.0
564.31189	1.2
603.42877	3.6
832.26086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15251	14.0
61.98833	100.0
65.25220	12.2
71.24997	14.4
71.25346	25.6
80.53414	16.5
86.87703	15.4
94.99382	13.7
156.47826	13.4
177.38806	17.0
277.21686	36.4
307.19220	37.5
587.16199	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	839.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	100.0
78.95908	26.7
80.09186	19.3
124.56670	18.1
177.03152	16.4
180.89813	17.7
277.21680	36.5
277.48053	18.5
282.58987	22.5
307.19214	33.8
459.38959	19.3
646.81189	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	839.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	78.8
68.83032	11.9
69.92815	46.7
69.93243	22.6
78.35858	13.1
94.12565	12.5
96.95990	12.9
98.20617	19.6
116.92847	45.0
117.07098	28.1
120.73935	15.8
253.09445	17.3
256.53424	13.2
264.84558	16.2
277.21686	91.1
278.22153	20.5
287.16443	42.4
289.18182	74.6
389.03705	16.2
435.78690	17.3
510.03494	13.7
783.47119	100.0
785.47528	63.5
839.47168	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	838.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.67543	0.1
70.44757	0.6
73.31725	0.2
79.17147	0.2
80.30656	0.1
94.98106	0.2
98.20562	0.2
137.02600	0.2
150.30630	0.2
151.15199	0.1
197.99937	0.1
211.95595	0.2
277.21811	0.2
279.23346	0.2
649.68402	0.2
864.08618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44103	10.6
61.98839	100.0
62.53022	11.6
70.07448	26.4
70.07845	23.7
70.15968	9.5
75.74580	12.7
78.95860	10.3
94.01736	8.8
94.32691	12.8
108.69247	10.3
116.92839	13.0
123.60747	10.4
141.89633	11.0
258.91177	12.5
277.21643	34.9
419.35431	54.9
526.28497	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	837.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.0
59.29826	1.7
61.98831	18.0
68.99563	4.9
70.73779	3.5
70.74145	3.4
71.01385	23.4
72.99310	4.0
76.04016	1.8
78.95905	4.1
79.95734	1.9
81.67418	1.9
84.09747	1.8
85.02943	3.0
86.00097	2.2
87.00883	5.1
91.82774	1.7
95.01382	2.2
96.95447	3.1
96.96014	30.8
97.02937	5.0
97.06603	1.8
98.95598	8.8
99.00881	8.3
99.92590	100.0
100.92585	7.7
100.93352	5.5
101.02450	4.0
108.12815	1.8
110.79561	1.8
111.00903	2.5
112.98582	4.9
113.02428	4.5
115.92075	94.3
116.92104	4.8
116.92856	61.1
117.64718	2.0
117.92881	4.2
125.02412	1.8
125.09685	3.0
129.01884	1.9
141.93617	3.9
156.95929	3.0
161.09613	1.9
169.93121	12.4
171.94646	2.0
197.11842	11.6
198.12097	1.9
201.11359	11.1
209.11749	3.2
226.96542	4.9
235.08247	2.6
242.96013	3.2
253.09128	4.4
255.23170	2.9
277.21756	26.6
278.22092	3.1
279.03232	4.1
279.23093	2.2
280.03879	2.5
296.52667	2.1
309.00726	2.1
309.20309	2.4
321.07877	2.3
323.02322	3.0
381.06317	2.3
393.13422	2.0
397.13446	5.0
573.25073	2.3
603.29572	1.9
629.27216	3.1
659.29236	3.4
692.76666	2.0
737.41260	6.9
764.85699	2.2
775.33453	8.6
776.88867	2.0
789.31512	2.2
801.31525	35.4
802.31830	10.9
819.31201	3.5
837.33673	45.2
838.33600	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	836.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56707	0.1
61.98835	100.0
71.31635	0.2
75.78036	0.1
104.38083	0.1
300.25861	0.1
575.80249	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
61.98834	11.3
68.99556	3.1
69.03469	2.6
69.85121	2.1
69.85432	8.0
71.01379	20.7
72.99303	1.6
73.02938	2.1
73.84769	1.6
78.95914	2.8
83.01417	2.0
85.02972	1.9
86.00108	1.9
87.00840	8.0
96.96009	29.6
96.96960	1.8
97.02937	4.2
97.06623	1.7
98.95592	8.1
98.96316	2.1
99.00876	6.8
99.92584	100.0
100.92610	5.4
100.93396	4.7
101.02432	3.5
111.00919	2.1
112.98569	4.5
113.02460	4.1
114.93390	1.8
115.92075	92.6
116.92097	4.8
116.92857	68.4
117.92872	4.3
119.03554	2.1
125.02471	2.9
125.09750	3.7
126.94946	2.0
127.00369	1.8
129.01898	1.6
135.55292	1.5
141.93613	3.0
142.94400	2.5
148.42426	1.5
151.11250	1.9
156.95981	3.1
169.93141	12.2
170.93959	1.5
171.10332	1.9
179.10684	3.6
197.11804	14.3
201.11314	18.8
203.93526	1.5
209.11699	2.8
223.13510	2.1
224.94919	1.9
226.96494	4.5
235.08131	1.6
242.96114	3.4
255.23273	6.0
256.23679	1.7
263.03595	1.6
277.21707	26.5
278.22028	4.6
279.03278	6.3
280.03720	2.4
295.02914	2.1
307.19177	1.7
309.00891	2.6
323.02280	4.6
339.05359	2.1
381.06378	12.2
382.06747	2.1
397.13489	6.6
421.19342	2.0
435.07251	2.2
575.36011	3.0
659.29309	3.8
737.40875	4.5
739.42029	2.2
746.32104	2.0
757.32751	2.3
775.33887	6.9
783.29675	2.5
801.31549	40.2
802.31622	11.2
819.33435	2.4
837.33435	45.2
837.49158	2.4
838.34003	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	834.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98831	100.0
62.98539	0.2
69.12529	0.1
71.01420	0.2
71.12085	0.1
78.95918	0.2
80.91702	0.2
82.67731	0.1
94.90853	0.1
96.96954	0.1
98.20647	0.3
101.02467	0.1
121.49897	0.1
121.50753	0.1
143.10843	0.1
191.25276	0.1
229.07349	0.1
250.10953	0.1
295.57779	0.1
388.91565	0.1
633.05371	0.1
834.40094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.2
59.01381	22.3
61.98831	30.0
67.27485	0.6
69.03453	1.5
70.63638	1.5
70.63986	0.8
71.01386	18.5
72.99301	1.2
73.02946	3.2
76.28495	0.8
81.03443	0.8
83.01393	2.2
83.04970	0.7
85.02943	4.7
87.00895	3.6
89.02441	15.2
95.01380	1.4
96.96016	0.7
97.02962	2.5
97.06596	0.8
99.00883	1.1
101.02444	12.1
111.08176	1.7
113.02447	5.9
119.03522	2.7
120.42000	0.6
125.02446	3.6
143.03510	1.1
161.04585	1.4
165.12837	12.5
166.13115	1.0
179.05583	1.0
183.13898	100.0
184.14201	5.6
184.15660	1.0
197.15501	0.7
209.11760	1.5
209.19232	0.7
221.06638	2.9
227.12839	7.0
235.08238	1.5
243.36218	0.7
384.53864	0.8
397.13492	2.5
468.47900	0.8
511.29520	1.1
559.56671	0.7
606.68671	0.8
607.26373	1.5
625.27142	2.8
701.66528	0.8
791.40961	5.3
817.38501	4.2
835.39703	91.5
836.40118	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	833.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.0
61.98831	4.1
64.35696	0.3
70.96617	0.5
71.01373	1.4
73.02943	0.5
85.02939	0.6
87.00866	0.4
89.02445	1.1
101.02436	1.3
101.85296	0.3
113.02418	0.8
113.58633	0.3
119.03522	0.4
127.07611	0.3
161.04617	0.6
166.48134	0.3
233.22710	0.4
235.08195	1.3
253.09290	4.7
259.20633	0.4
277.21729	100.0
278.22052	8.9
360.27609	0.3
486.49222	0.3
513.30389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98830	100.0
62.98536	0.2
70.77618	0.1
71.01410	0.2
71.51164	0.1
71.51539	0.2
78.95908	0.4
80.96517	0.2
90.11164	0.1
101.02446	0.1
109.98403	0.1
125.00664	0.1
152.99603	0.2
153.23389	0.1
158.37582	0.1
197.11916	0.5
198.02580	0.2
255.23369	0.5
273.17249	0.3
275.17581	0.2
277.21692	0.8
278.22159	0.5
279.22440	0.2
395.63312	0.2
397.13812	0.2
712.77789	0.1
712.89850	0.1
832.51056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	28.0
61.98831	62.1
63.74125	2.8
69.03436	2.3
71.01061	3.0
71.01382	30.7
71.52107	3.4
72.99284	7.1
73.02946	3.3
75.00874	13.8
78.95915	4.2
83.01382	5.6
85.02952	7.9
87.00865	28.9
88.98795	2.6
89.02445	11.1
96.96001	3.5
97.02930	4.7
99.00843	3.3
101.02428	10.5
104.26050	2.4
111.04488	2.1
113.02415	8.0
115.00378	33.1
119.03517	2.8
125.02413	5.1
125.09661	3.4
139.00404	3.5
157.01346	4.1
161.02383	2.7
161.04546	2.7
161.09752	3.6
167.94608	2.2
171.10214	8.3
173.63934	2.5
175.02475	67.5
175.03987	4.4
176.02765	2.9
179.10739	3.5
181.12267	3.0
183.13890	15.1
197.11836	59.5
197.48584	2.1
198.12216	2.4
209.11813	8.4
211.13365	49.0
212.13884	3.0
225.11188	3.8
235.08156	4.8
239.12856	3.4
241.10788	6.5
241.14429	3.3
285.13565	3.4
289.07132	3.1
318.17911	2.5
397.13388	5.5
657.35168	2.9
715.35144	16.3
716.36029	2.7
733.36694	5.3
773.36450	3.9
815.34656	2.7
833.38153	100.0
834.38580	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	832.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
61.98832	100.0
62.98546	0.2
63.54878	0.1
68.29185	0.1
71.50273	0.2
78.95921	0.5
89.02483	0.1
96.96009	0.1
97.55572	0.1
105.01933	0.2
114.26561	0.1
127.13612	0.1
141.01688	0.2
164.79607	0.1
197.11882	0.3
222.99258	0.1
226.59770	0.1
255.23373	0.4
273.17142	0.3
274.17462	0.4
275.17639	0.2
277.21759	0.6
278.22083	0.4
303.94977	0.1
531.99963	0.2
832.51123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89943	0.1
59.01377	0.6
60.20660	0.1
61.98831	100.0
62.98534	0.2
64.65414	0.1
67.14366	0.1
69.19065	1.0
71.01392	0.3
72.99315	0.3
75.75042	0.1
78.08810	0.1
78.95909	0.3
82.36466	0.1
89.02457	0.3
100.85820	0.1
101.02471	0.2
145.22949	0.1
169.12511	0.1
195.10294	0.3
197.11867	1.1
197.13448	0.2
255.23268	0.9
273.17133	0.5
274.17502	0.5
275.17654	0.3
277.21802	0.7
278.22125	0.4
279.22531	0.2
329.31467	0.1
380.95166	0.1
397.13651	0.5
415.14706	0.1
476.38239	0.1
577.17090	0.1
832.51740	0.3
833.43872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.10439	0.1
61.98831	100.0
62.98540	0.2
65.63822	0.1
66.49580	0.1
70.57759	0.3
70.58092	0.3
71.01390	0.2
72.28469	0.2
74.75662	0.2
78.95924	0.4
90.44598	0.2
93.83149	0.1
113.02505	0.1
151.99927	0.1
173.08264	0.2
197.11909	0.2
205.43924	0.1
211.13373	0.9
212.13803	0.4
255.23500	0.3
277.22021	0.2
289.07285	0.2
292.20013	0.2
309.20685	0.3
310.21088	0.2
430.06625	0.2
832.51672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17990	0.2
59.01390	0.8
61.98830	100.0
74.18346	0.2
78.95889	0.5
96.94707	0.2
139.89063	0.3
164.57921	0.3
171.10287	0.3
179.32497	0.3
197.11710	0.3
211.13393	0.6
266.93436	0.2
289.18314	0.2
291.19327	0.3
307.19131	0.2
357.27048	0.2
374.51581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94622	8.4
61.98807	13.0
78.95898	76.0
96.96997	10.9
97.68734	9.2
98.24653	8.4
105.32798	8.9
106.13769	8.5
115.54584	7.7
118.52573	8.6
152.99583	19.4
170.41003	8.0
172.03949	8.9
241.01233	39.2
244.27304	8.7
255.23349	66.2
277.21689	35.3
322.93066	8.0
391.22147	10.1
407.82294	8.5
742.91986	9.4
831.49988	100.0
832.50507	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	832.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68482	0.2
59.01380	0.5
61.98830	100.0
62.35151	0.2
64.98918	0.2
69.48225	1.2
78.95904	0.6
89.02422	0.2
90.82872	0.2
96.96033	0.2
113.02427	0.2
159.10358	0.2
162.80815	0.2
255.23340	0.3
283.51816	0.2
293.21320	0.5
832.51288	0.3
833.52704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1994
Annotation	Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside
Peak:m/z	Relative Intensity
59.01377	2.8
61.98830	3.0
63.02396	1.0
65.00318	5.1
65.33688	0.6
66.10238	0.7
69.19465	6.4
71.01385	1.3
83.01404	2.2
89.02438	1.1
93.03454	1.1
96.96012	0.7
98.51125	0.7
107.01398	7.2
107.10423	0.7
108.02172	1.3
109.02935	1.7
113.02459	0.8
119.03362	0.6
121.02941	3.1
125.02487	1.4
133.02954	2.2
135.04565	0.9
137.02466	1.1
145.02928	0.8
148.01711	0.7
149.02420	1.8
151.00363	26.3
152.00864	0.7
161.02473	1.4
163.00414	1.2
163.04004	1.2
165.05556	0.8
169.01457	0.9
171.04541	1.8
175.00400	3.9
175.03940	1.3
176.01207	1.1
178.99892	4.9
183.04507	1.1
187.03995	1.3
190.02725	4.2
191.03499	3.1
193.01434	1.5
195.22141	0.7
199.03978	6.8
201.01924	1.6
203.03433	1.2
205.05075	1.3
209.04471	1.1
215.03438	4.5
226.02579	1.8
227.03488	5.1
242.02359	1.1
243.02975	10.2
254.02090	1.5
255.02975	4.1
271.02457	78.5
272.02890	6.3
282.01556	0.7
283.02567	2.1
285.03793	1.1
297.03793	0.8
299.01950	100.0
300.02655	37.0
301.03488	57.7
302.03845	4.3
313.03497	1.5
314.04346	1.0
315.05081	14.6
316.05457	1.3
353.08594	4.4
463.08807	13.5
464.09238	1.6
547.10498	1.0
614.10760	0.8
668.13672	7.4
669.14581	52.2
670.14777	8.1
795.75244	0.7
831.19879	38.1
832.19885	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	831.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
64.02135	0.3
77.03986	0.3
87.00875	6.0
93.03439	0.5
103.00385	1.7
112.98810	4.3
121.02955	100.0
122.03284	3.3
122.04062	0.5
125.02450	0.7
130.99857	1.0
179.03523	0.5
187.36787	0.3
253.03522	36.4
254.03813	1.8
264.68350	0.3
280.07843	0.3
289.07315	0.8
303.26251	0.3
315.11838	0.3
374.50964	0.3
407.07776	0.4
425.08823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.1
61.98832	100.0
62.98520	0.2
71.01396	0.1
78.95935	0.2
95.43463	0.1
101.02442	0.1
116.92844	0.1
134.14742	0.1
142.21130	0.1
170.86748	0.1
195.10254	0.1
221.11919	0.2
229.31265	0.1
255.23325	0.3
277.21881	0.2
278.22150	0.2
279.81546	0.1
284.60196	0.1
397.13272	0.1
756.53735	0.1
762.95422	0.1
831.50537	0.4
841.30347	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	829.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.2
61.98822	1.9
64.39834	0.4
68.79796	0.4
71.01375	1.6
72.99310	1.0
73.02953	0.5
83.01385	0.4
85.02977	0.7
89.02443	1.5
101.02440	2.1
113.02466	1.3
119.03481	0.5
125.09705	0.6
137.03424	0.4
140.18513	0.4
161.04535	0.7
165.12740	0.4
181.12315	0.6
191.10805	0.5
209.11774	1.7
221.11734	0.4
229.35126	0.4
235.08205	2.3
241.14445	1.1
253.09276	7.2
259.20691	0.4
273.17075	76.4
274.17392	5.3
277.21716	100.0
278.22037	8.8
278.24918	0.6
279.23187	0.7
509.26160	0.5
513.30554	0.6
592.71765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	2.2
59.01382	3.3
63.22050	0.5
70.02985	0.7
70.64999	1.1
71.01374	2.5
74.35207	0.6
89.02441	2.2
91.05528	0.8
98.19929	0.6
99.78049	0.5
109.02970	0.9
119.15443	0.5
125.02438	0.8
133.02934	4.8
134.03693	0.7
136.22432	0.6
147.04532	5.0
163.00397	1.5
164.05898	0.8
164.07178	11.6
165.01945	0.6
165.07478	0.6
170.96526	0.6
173.02448	0.5
175.00351	1.3
175.04074	0.8
198.56932	0.6
199.03975	0.5
206.08220	17.4
207.08562	1.2
243.85185	0.6
253.05035	0.6
269.04413	0.7
270.05490	0.9
284.03320	3.0
285.04047	6.3
297.04016	8.4
298.04800	36.8
299.05316	5.6
309.04047	16.6
310.04379	1.3
311.05518	1.9
324.02652	0.7
325.03445	1.5
326.04245	3.4
327.05078	13.9
328.05200	1.3
330.03787	3.8
338.04190	1.1
339.05096	4.3
351.05112	1.3
353.02982	1.6
357.06134	6.7
358.06268	0.7
369.06189	1.2
381.06229	1.1
384.19562	0.7
385.06094	0.7
411.07166	0.8
429.08322	5.0
430.08417	0.7
447.09329	1.1
459.02914	0.8
459.09286	12.8
460.09579	1.2
502.31964	0.7
573.35107	0.7
579.13550	100.0
580.13831	16.3
808.28748	0.6
848.05969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.8
60.99296	0.7
61.98821	1.6
68.79794	0.4
71.01377	2.6
73.02918	0.5
78.91419	0.3
83.01384	1.2
85.02956	0.7
87.00883	0.7
88.98801	5.7
89.02441	3.7
98.19858	0.7
99.19357	0.4
101.02444	2.4
102.46470	0.3
113.02451	1.0
116.07143	0.3
119.03493	0.4
119.23360	0.3
134.37523	0.4
143.03514	0.4
161.04561	1.1
165.12952	0.4
174.34598	0.4
191.10706	0.4
209.11790	1.4
235.08215	2.4
241.14432	1.4
242.84961	0.4
253.09291	7.6
273.17065	100.0
274.17413	6.3
277.21713	90.3
278.22037	9.2
471.86224	0.4
509.26175	1.2
513.30731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.0
60.46672	0.4
61.98835	4.3
64.10974	0.3
65.89521	0.3
69.31415	3.4
71.01373	2.1
73.02931	0.5
80.02132	0.4
81.03432	0.7
83.01389	2.1
85.02939	0.6
89.02421	1.4
101.02460	2.2
102.24509	0.3
105.15069	0.3
111.57011	0.4
113.02431	1.0
117.49587	0.4
125.09742	2.2
136.36078	0.4
161.04509	0.5
163.11292	0.6
165.12927	0.5
182.13098	0.7
191.10706	2.3
209.11766	3.4
223.13406	1.3
235.08421	0.6
241.14424	1.3
253.09271	6.0
273.17065	100.0
274.17413	7.4
277.21716	53.6
278.22131	4.5
312.02734	0.4
509.25793	0.9
653.84308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.7
61.98833	4.5
69.54060	2.1
71.01381	2.0
71.44770	0.4
72.81789	0.5
73.02941	0.6
81.03450	0.4
83.01388	1.5
87.00878	1.0
89.02423	1.4
98.19936	0.7
98.87089	0.3
98.87763	0.4
101.02448	3.1
113.02457	1.6
119.03509	0.7
125.09731	2.1
145.05016	0.4
161.04535	0.5
165.12831	0.6
182.13000	0.7
191.10753	1.3
197.15410	0.8
209.11827	2.9
223.13541	0.5
233.22401	0.4
235.08229	3.2
241.14314	0.8
253.09279	7.8
259.20703	0.4
273.17072	72.2
274.17480	4.8
277.21710	100.0
278.22031	9.1
426.77267	0.4
509.25848	0.6
513.30768	1.2
562.33502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.7
61.11124	0.8
61.98831	39.5
69.03449	1.5
71.01377	6.2
71.52039	1.3
73.02940	1.9
78.81850	0.8
78.95902	2.1
81.03413	0.9
85.02989	1.2
87.00865	2.9
87.04065	1.0
88.98809	1.5
89.02453	4.9
96.09921	0.8
97.06618	1.5
101.02455	5.1
110.81915	1.0
113.02437	2.8
115.21545	1.1
116.92821	1.1
118.42662	1.1
118.67772	1.0
118.95397	1.0
119.03514	1.3
122.97522	1.3
123.04498	1.5
125.09724	2.1
161.04466	1.1
163.11247	2.2
171.10258	12.9
183.13940	5.9
184.08594	1.1
185.11835	2.7
191.14395	2.6
193.12373	1.2
207.10248	1.6
209.11804	5.7
211.13393	100.0
212.13673	4.7
225.11147	1.2
235.08229	3.2
237.11226	1.7
245.19060	6.5
253.09299	10.7
263.12671	1.1
263.20221	2.0
271.16797	1.2
277.21667	7.9
289.18112	31.6
289.21414	1.8
290.18338	3.8
298.78989	1.0
307.19150	27.8
308.19409	3.3
391.35172	1.0
397.13428	3.4
415.14151	1.2
447.22217	4.9
483.30969	1.6
501.32333	1.7
525.26453	1.2
543.28131	2.4
599.61719	1.1
619.86450	1.1
621.32489	3.6
737.41138	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	828.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
69.03439	0.8
69.52619	1.8
69.53049	2.1
70.02982	0.7
71.01382	5.8
72.00247	0.7
74.65550	0.6
83.01402	1.3
85.56145	0.6
88.04040	76.3
89.04385	0.5
91.05520	1.7
93.03452	0.7
97.02926	1.0
97.47717	0.6
109.02943	5.5
114.01956	4.5
115.00365	13.2
121.02934	1.2
123.04542	3.3
125.02448	29.3
125.35318	0.7
125.36305	0.6
131.05045	0.6
132.03027	100.0
133.03336	2.0
134.06123	1.3
135.04532	4.1
137.02444	5.2
139.04089	0.8
149.02467	1.5
151.04036	3.5
161.02423	7.3
161.06096	0.8
162.03110	0.8
163.04037	0.9
164.01137	0.8
165.01965	1.3
166.09004	0.6
167.03659	0.7
167.80009	0.6
173.04601	1.4
175.03984	3.7
177.01903	1.6
179.03540	1.1
187.04013	2.0
188.04755	0.7
197.06227	0.6
203.03532	0.8
203.07176	3.0
205.01355	1.1
205.05093	1.9
206.08197	1.3
227.07077	0.8
229.05029	1.3
232.05960	0.9
243.02875	0.9
243.06522	0.6
245.04523	2.1
245.08138	3.7
250.07191	66.5
251.07518	3.5
255.02966	2.6
256.03751	1.7
257.04489	0.8
273.03986	1.1
281.04602	1.5
287.05594	5.1
289.07169	20.0
290.07559	1.9
297.03906	0.7
299.05579	2.5
339.08856	1.8
407.07697	23.4
408.07904	2.7
425.08774	26.8
425.14529	1.3
426.08926	2.6
436.16272	0.6
451.10403	6.5
452.11246	0.7
577.13525	14.5
578.13928	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	827.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.5
61.98833	3.7
63.27111	0.6
66.82410	0.6
69.03445	1.3
69.40460	0.6
70.45197	2.5
71.01385	5.1
72.99284	0.9
73.02940	1.6
80.02664	1.4
81.03455	2.9
83.01375	1.3
83.05033	8.4
85.02957	9.8
87.00907	0.7
89.02454	3.3
95.05080	0.8
95.93039	0.8
97.02943	1.6
98.38605	0.7
99.92579	1.6
101.02442	4.2
107.05026	0.9
109.06590	3.6
110.03714	0.8
113.02454	2.4
116.92868	11.6
119.03546	1.2
123.04536	0.7
123.08205	0.7
136.05269	1.2
142.02676	1.0
145.05194	0.7
161.04558	1.8
171.10292	5.2
175.11270	0.9
177.12862	7.3
193.12234	0.8
195.13922	3.2
203.10786	1.4
221.11827	80.8
222.12149	5.3
223.13356	1.7
233.22876	0.9
235.08290	4.3
239.12891	38.2
240.13258	2.2
253.09306	9.7
257.13760	1.0
271.15482	1.0
277.21719	100.0
278.22046	10.5
323.19342	0.7
347.83755	0.7
348.01154	0.7
443.65033	0.7
457.20810	3.6
475.21851	8.4
476.22086	1.5
499.33694	1.2
735.43298	15.7
736.44183	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	827.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.8
59.01379	15.9
61.98830	17.9
63.52349	0.3
68.99804	0.3
69.03434	3.4
71.01382	13.9
71.05019	1.0
71.52515	0.6
72.99306	1.2
73.02944	1.9
75.00871	0.5
76.12387	0.3
81.03460	0.7
83.01387	1.5
83.05036	0.4
85.02943	3.4
85.06594	0.4
87.00878	3.3
89.02444	12.5
92.31946	0.3
93.03477	0.4
95.01389	1.1
95.05015	0.6
97.02946	1.6
99.00896	0.7
101.02438	10.9
109.06563	0.7
111.04535	0.4
111.08146	0.4
113.02456	5.8
119.03510	2.5
125.02444	4.0
125.09724	0.3
131.03554	0.6
135.11801	0.4
137.02455	0.5
139.03970	0.3
140.77316	0.3
141.01868	0.5
143.03506	1.7
149.04506	0.4
149.09686	1.1
151.06049	0.3
153.76884	0.3
161.04506	2.5
167.10776	3.9
177.12857	0.6
179.05620	3.9
179.10757	1.2
179.14407	3.7
189.58598	0.4
195.13904	11.4
196.14198	0.9
197.11736	0.5
205.12331	11.1
206.12573	0.5
217.07225	0.5
221.06593	1.2
223.13383	100.0
224.13724	6.1
235.08186	3.1
252.32433	0.4
253.09384	0.8
265.14270	0.5
273.17007	0.4
274.17310	0.7
287.07776	1.0
305.08771	1.0
323.09805	0.7
349.25528	0.4
379.12363	3.3
397.13495	26.5
398.13895	1.6
415.14542	6.5
429.26526	1.6
603.26550	7.6
604.26941	1.2
621.27625	11.0
622.28168	1.4
783.38477	0.6
809.39935	2.3
810.40308	0.6
827.40802	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	823.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.8
61.98534	1.0
61.98835	12.3
65.76282	0.8
70.86764	1.2
70.87101	1.4
71.01382	3.2
72.78001	0.8
81.03463	18.5
83.05032	42.0
87.00894	1.0
88.98812	0.8
89.02475	0.7
93.16945	0.9
96.96026	4.5
96.96948	1.1
97.03011	0.8
100.07681	4.8
101.02477	1.2
108.25582	0.8
113.02461	1.6
116.92821	1.1
125.02455	1.2
126.05591	1.0
135.04536	1.8
137.02454	1.3
161.02438	0.7
175.02397	0.9
177.01784	1.1
179.03497	0.9
181.04965	0.8
190.02927	0.8
191.05733	0.8
199.18182	8.2
224.17668	1.4
225.16063	7.8
243.14775	1.5
243.17146	21.1
244.17371	1.1
269.15158	0.9
309.21619	1.0
353.20819	3.7
451.32864	1.3
469.33963	12.5
470.34314	2.3
579.37909	2.2
695.50232	3.0
823.55505	100.0
824.55804	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	825.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55547	12.4
61.98843	23.0
66.99568	16.5
69.37108	100.0
109.93688	12.0
135.99535	13.5
139.45705	13.9
141.78775	14.6
152.99925	13.1
277.21808	48.6
293.21066	20.7
566.35773	14.2
767.98145	14.5
829.71100	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	823.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95911	10.2
61.98831	91.8
67.24874	7.9
70.24061	8.4
74.16788	9.0
80.96505	13.1
86.63496	8.2
112.35359	8.8
214.87752	10.1
260.81271	8.9
277.21747	61.1
291.19647	100.0
292.19971	11.6
387.69354	9.9
527.28278	11.3
542.28937	11.7
705.49512	12.2
724.46777	9.8
823.45581	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	823.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.5
58.57660	0.3
59.01379	7.1
60.93892	0.3
61.98824	1.7
69.03458	1.7
71.01013	0.5
71.01383	8.0
71.04983	0.3
72.99297	0.7
73.02951	2.1
80.63218	0.3
82.08374	0.3
83.01398	1.5
83.05019	0.7
84.02089	0.3
85.02943	8.1
85.99369	0.3
87.00887	1.6
89.02443	4.6
91.04000	0.3
95.01374	0.8
95.05025	0.6
96.96004	0.5
97.02962	1.6
97.06594	1.6
99.00822	0.4
99.04462	0.3
100.73494	0.3
101.02436	6.6
101.85073	0.3
111.04499	0.4
111.08157	0.3
113.01823	0.4
113.02456	3.8
116.46466	0.3
119.03500	1.5
119.08626	0.5
125.02438	0.7
125.09724	1.6
127.07671	0.3
127.11279	1.2
133.05093	0.5
137.09750	2.5
143.03479	1.1
145.05064	1.8
155.10765	0.9
161.04556	3.3
165.12878	0.6
171.02539	0.3
171.10269	21.5
172.10678	0.6
177.12842	0.6
179.05658	0.7
183.13893	2.4
185.11902	0.6
187.09862	0.6
193.12305	0.8
197.11900	0.5
201.11378	1.5
209.11816	0.8
211.13382	8.0
212.13635	0.5
221.11768	1.4
227.13045	0.4
229.14404	5.8
235.08217	18.0
236.08495	0.9
239.12836	1.1
253.09270	24.8
254.09523	0.8
255.23192	0.7
259.20697	0.4
273.18768	0.4
275.20026	0.6
277.21704	100.0
278.22064	8.8
291.19656	4.0
301.69101	0.3
309.20691	13.1
310.20981	0.9
327.21747	70.5
328.22113	6.0
513.30927	0.5
545.29968	2.1
546.29926	0.4
563.30640	2.8
587.43237	1.3
756.46063	0.4
823.47693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06633	15.0
61.98829	80.2
69.58491	98.9
71.01411	17.6
80.96516	100.0
94.98085	16.7
170.97255	16.3
175.77713	19.0
225.00827	21.9
277.21698	44.2
291.19730	31.3
320.20480	17.6
581.07233	17.3
823.45062	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	823.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.6
59.01381	25.2
61.98829	2.1
69.03455	2.2
70.09063	0.7
71.01376	20.2
71.05009	0.9
72.99292	1.8
73.02972	3.7
81.03448	1.0
83.01395	2.8
83.05040	2.1
85.02946	9.2
87.00887	3.3
89.02444	16.1
95.01414	1.8
95.05033	2.5
96.95982	0.8
97.02943	3.7
97.06586	16.7
101.02443	16.9
101.16171	0.8
113.02436	7.3
119.03538	4.2
123.08158	6.8
125.02426	3.0
125.09723	63.9
126.10058	2.6
127.11328	1.7
131.03503	0.8
133.05075	1.1
137.09700	2.0
143.03490	1.7
143.10757	0.8
151.23837	0.6
155.10738	1.8
161.04558	4.7
165.12816	1.3
167.14395	0.8
169.08772	1.4
171.10271	17.8
179.05624	1.9
183.13908	2.9
185.11842	1.7
187.09750	34.5
187.14389	0.8
188.10004	1.3
193.12192	0.8
197.11819	1.5
201.89711	0.8
209.11835	2.9
211.13397	19.3
221.06685	1.1
221.11823	3.1
229.14436	16.2
230.14607	0.9
235.08243	7.6
238.14873	1.0
239.12825	2.0
253.09293	28.2
254.09544	1.0
255.23283	37.1
256.23624	3.1
277.21710	77.1
278.21997	6.0
291.19662	8.9
309.15302	1.1
309.20712	26.0
310.21021	2.8
327.21744	100.0
328.22150	8.7
354.19113	0.8
397.13599	4.2
415.14822	1.1
523.15265	0.8
545.29285	3.5
563.30731	5.4
567.22449	1.7
587.42725	2.6
823.46924	98.2
824.47394	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	823.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.1
61.98830	76.8
71.01385	11.8
73.02946	1.2
74.49918	1.2
76.47792	1.1
78.95898	2.8
82.95413	2.6
85.02933	2.6
87.00886	2.7
89.02443	6.4
89.87825	1.1
94.98067	1.3
96.96019	2.4
97.02924	1.4
97.06592	11.1
101.02449	7.6
113.02443	4.1
115.00434	1.4
123.08125	4.8
125.02436	2.0
125.09721	79.0
126.10040	3.1
143.03438	1.4
143.10806	1.4
161.04475	1.4
169.08691	1.6
171.59747	1.1
179.05537	2.3
187.09740	56.1
188.10019	2.1
211.09612	1.3
221.06668	2.6
229.49431	1.3
235.08148	2.5
253.09338	1.7
255.23289	14.5
261.91635	1.2
277.21707	4.6
278.21939	1.3
287.42883	1.3
295.61066	1.2
441.56714	1.4
585.23828	4.4
823.46899	100.0
824.47565	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	822.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35379	0.2
61.98831	100.0
70.30022	1.1
70.30378	0.3
80.96529	0.5
82.57179	0.3
107.17400	0.2
120.48546	0.2
129.95497	0.2
206.33580	0.3
382.44360	0.3
770.38696	0.3
822.53772	0.5
849.32190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.9
61.98831	100.0
66.12339	4.3
69.06532	4.3
71.01401	6.8
90.61551	4.5
112.59992	4.2
116.92867	28.6
117.01916	4.7
117.92937	6.5
138.37224	4.4
171.10188	5.1
197.11856	9.8
200.17442	4.8
209.11801	30.9
227.13037	5.2
229.12378	5.8
253.09178	10.5
259.15646	5.8
309.20709	20.0
313.09357	5.2
823.42139	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	822.377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22831	0.2
58.63094	0.2
59.01374	0.8
61.98830	100.0
66.78510	0.2
67.03600	0.2
69.62939	1.3
70.44273	0.2
71.01405	0.6
72.99347	0.2
77.69267	0.2
82.76204	0.2
85.02965	0.2
87.00906	0.3
88.63023	0.2
89.02474	0.2
98.20589	0.4
101.02438	0.2
113.02424	0.3
115.00399	0.3
116.92862	0.5
123.04417	0.2
125.02448	0.3
143.38107	0.2
158.78706	0.2
158.97096	0.2
161.02449	0.3
205.14455	0.2
209.11864	0.3
211.13269	0.2
250.84738	0.2
285.04623	0.2
307.48346	0.2
597.32751	0.5
623.12341	0.2
656.53900	0.2
822.39856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
60.60830	0.6
61.98833	21.4
69.03444	1.4
71.01382	8.0
71.51713	0.7
72.11739	0.6
73.02935	1.8
78.95898	3.3
79.95717	1.6
80.96506	2.7
81.03468	1.0
82.95408	2.3
85.02956	1.1
87.00878	0.7
89.02449	4.4
96.96016	9.2
96.96956	1.8
101.02458	4.8
111.08167	8.3
113.02459	2.3
119.03495	0.8
121.02964	1.2
126.84998	0.9
132.86226	0.7
151.11310	1.1
158.33873	0.8
161.04532	3.8
169.12381	4.2
171.10248	3.1
179.05733	0.9
181.12372	1.4
182.49092	0.7
195.13901	8.1
196.14511	1.4
197.11836	51.8
198.12132	2.1
199.13376	2.6
207.86797	0.7
211.13370	6.4
223.13391	6.5
227.12865	1.5
228.13591	0.9
231.47829	0.9
234.73479	0.8
235.08066	3.7
253.09293	26.8
256.13129	1.1
263.20178	1.8
265.17859	1.1
275.20197	9.2
277.21777	4.3
279.23370	4.0
280.23587	3.0
291.19644	14.8
292.20038	1.6
293.21225	100.0
294.21555	8.7
309.20709	55.3
310.21054	6.1
350.97137	0.8
370.17688	0.8
412.00870	0.8
459.55035	0.9
498.78647	0.8
545.29675	1.0
563.87134	0.8
585.41492	2.2
728.45837	0.9
729.45581	1.8
737.41504	4.7
747.46344	1.5
793.07343	0.9
821.40936	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	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01378	6.6
61.98825	13.7
63.72165	0.7
71.01379	6.7
71.43665	1.3
73.02950	1.8
78.95924	3.6
79.95731	0.8
80.91672	1.4
80.96500	2.8
85.02950	2.0
87.00866	2.0
89.02441	5.1
94.98093	1.1
96.95992	4.4
96.96957	0.9
97.06541	0.9
99.00935	1.0
101.02456	6.0
111.08154	7.5
113.02428	2.7
119.03474	1.4
125.40910	0.7
139.95352	0.7
150.93886	0.6
161.04497	3.4
169.12323	3.3
171.10242	4.5
179.05605	1.1
179.10938	0.8
179.14262	1.2
181.12257	0.8
181.61739	0.6
183.14093	0.7
193.12364	1.4
195.13878	8.0
197.11818	42.3
198.12175	2.0
199.13429	2.2
205.12270	0.9
205.16106	0.9
209.11902	1.4
211.13377	9.4
223.13324	4.7
228.13489	1.4
235.08267	2.9
253.09270	31.1
254.09647	1.0
255.23416	1.0
256.13126	1.1
263.20129	3.0
265.10535	2.3
275.20178	6.9
277.21689	2.5
279.23505	3.9
280.23657	4.6
291.19650	18.3
292.20020	2.5
293.21234	100.0
294.09033	0.7
294.21561	7.5
309.20697	63.1
310.20987	6.5
389.40045	0.8
391.22601	0.8
433.20380	1.1
529.29913	1.3
545.29529	2.4
546.29602	1.0
585.41681	2.5
729.45441	1.3
737.41064	1.5
747.46576	1.7
804.95996	0.8
821.42609	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	818.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.74029	0.1
69.61396	0.1
70.83414	0.2
76.85323	0.1
80.96498	0.1
94.45716	0.1
120.19003	0.1
154.15659	0.1
202.70308	0.1
290.95444	0.1
386.66785	0.1
819.41895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
60.01704	0.3
61.98829	100.0
63.99250	0.3
71.01388	0.5
71.31291	0.2
75.00872	0.2
78.95930	0.2
82.11115	0.2
82.41349	0.2
83.58810	0.2
99.00871	0.8
112.98814	2.2
113.99191	0.4
138.31325	0.2
145.01457	0.2
155.03825	0.2
160.03740	0.2
169.16026	0.2
171.10332	0.3
173.00862	0.8
181.09666	0.2
211.13463	0.2
229.30724	0.2
234.98492	0.2
244.33359	0.2
277.21896	0.3
289.18088	0.4
291.19946	0.2
293.21417	0.3
307.19104	0.3
364.42767	0.2
478.43604	0.2
608.01770	0.2
670.42670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98829	100.0
62.98536	0.3
63.99243	0.3
70.63688	0.3
70.64008	0.4
71.01385	0.5
80.96512	0.2
95.97610	0.2
101.02444	0.2
110.96031	0.2
112.98621	0.2
116.92866	0.3
120.07547	0.2
171.10318	0.2
224.72063	0.2
225.11316	0.3
237.15056	0.2
277.21756	1.2
464.81552	0.2
506.42642	0.2
535.52155	0.2
550.91132	0.2
563.72540	0.2
759.44196	0.3
777.41278	0.6
803.42017	0.4
820.49768	0.5
821.43787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.9
61.98831	100.0
68.15459	1.7
70.52175	4.7
83.05024	2.6
85.45030	1.7
96.96069	2.0
108.90039	1.5
136.49794	1.5
143.99146	6.6
144.06699	1.9
145.01494	2.1
145.05048	5.9
146.04626	3.1
170.40427	1.4
209.11839	12.2
227.12918	2.7
235.08186	1.8
253.09195	2.3
289.18124	4.5
307.19110	5.8
408.84857	1.8
416.56885	1.7
821.40668	6.5
822.42499	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	818.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98831	100.0
62.98529	0.1
68.15414	0.1
71.01388	0.3
73.93070	0.1
78.95941	0.2
79.33601	0.1
79.95750	0.1
80.96528	0.4
82.46033	0.1
89.39144	0.1
96.96043	0.1
98.19821	0.2
101.02451	0.1
111.08154	0.2
192.98207	0.1
195.13881	0.1
207.78014	0.1
209.11911	0.3
226.14676	0.1
229.66776	0.2
235.08168	0.1
253.09338	0.3
259.15549	0.2
277.21777	0.6
287.16626	0.2
289.18015	0.1
291.19650	1.5
292.20047	0.8
305.17807	0.2
307.19400	0.3
308.19537	0.2
622.15521	0.1
769.04449	0.1
774.43860	0.1
801.48529	0.2
818.48328	0.2
819.43024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98830	100.0
63.99254	0.3
66.46642	0.2
67.52203	0.2
71.01398	0.6
71.52230	0.2
79.95758	0.3
80.96519	3.4
83.01392	0.2
85.02973	0.3
88.37771	0.2
94.98107	0.4
96.95995	0.2
99.00898	0.2
112.98810	1.4
125.02455	0.5
129.56801	0.2
151.04131	0.2
164.98679	0.4
173.01018	0.3
197.11902	0.4
198.12274	0.3
225.00745	0.6
289.07355	0.5
818.51813	0.6
819.53369	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	818.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01375	2.7
61.98830	100.0
62.98534	0.2
63.99248	0.4
70.58936	0.6
71.01385	0.9
73.56515	0.2
78.98624	0.3
79.95741	0.9
80.96516	4.4
85.02974	0.3
94.98087	0.6
99.00896	0.9
101.02449	0.2
106.98132	0.3
110.46110	0.2
111.00905	0.4
112.98807	3.4
113.00082	0.2
113.99178	0.3
148.99118	0.6
152.98637	0.3
159.88495	0.2
164.98586	0.5
168.70059	0.2
173.00903	1.0
186.24541	0.2
197.11787	0.5
198.97374	0.2
209.11920	0.4
216.38895	0.2
225.00790	0.8
236.30887	0.2
238.06326	0.2
251.03587	0.2
781.64130	0.2
803.43933	0.3
818.52228	1.1
819.53192	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	817.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01381	100.0
61.98832	58.4
71.01384	18.6
71.50706	1.7
72.99333	1.7
73.02956	1.3
80.96538	1.6
83.01373	2.8
85.02958	4.7
87.00867	3.8
88.98803	1.7
89.02448	13.5
95.01389	1.4
97.02946	3.8
99.00890	15.8
101.02448	12.1
111.00877	3.8
112.98814	40.1
113.02437	5.9
113.09720	4.3
115.00434	1.4
117.48230	1.5
118.86875	1.2
119.03532	3.8
123.04517	1.3
125.02425	5.7
143.03525	1.4
143.10780	3.7
145.01410	2.4
159.10272	58.2
160.10609	1.8
161.04533	3.2
173.00948	11.0
179.05553	1.5
221.06699	2.1
235.08282	3.8
277.21729	45.1
278.22049	3.6
285.22217	1.6
287.07635	1.5
293.21231	11.9
294.21793	1.2
379.12482	6.8
397.13498	33.9
398.13940	2.1
403.35809	1.2
415.14633	8.4
416.15045	1.4
573.97437	1.3
639.40747	1.7
641.42505	3.6
650.13867	1.3
669.41956	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	817.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01380	100.0
60.01713	0.8
61.98830	15.4
67.01912	0.5
71.01385	12.6
71.51878	0.5
72.99310	2.1
73.02949	2.2
73.77964	0.5
75.00876	2.1
80.96526	2.1
83.01396	2.5
85.02944	3.6
87.00870	2.6
88.98811	0.7
89.02453	6.2
94.98097	0.7
95.01436	0.5
95.05669	0.5
97.02947	1.3
99.00884	13.8
101.02449	6.0
111.00874	3.7
112.98812	40.0
113.02430	3.2
113.09729	3.6
113.99117	0.7
114.99673	0.5
115.00330	2.2
119.03505	1.8
125.02470	2.1
127.00330	0.8
129.01991	0.5
137.02492	0.7
139.03990	0.5
143.03508	0.8
145.01422	3.1
159.10268	37.0
160.10587	1.5
161.04585	1.3
173.00903	16.1
173.11838	0.7
174.01634	1.3
179.05638	1.7
183.01193	3.7
184.01608	0.9
197.11900	0.7
221.06641	0.7
235.08202	2.7
253.09254	0.5
259.08289	0.6
277.21722	22.4
278.22238	1.5
287.07791	0.9
297.15283	7.8
298.15637	5.5
299.14706	0.6
305.08752	0.8
311.23679	0.8
318.55103	0.5
323.10129	0.5
329.17581	2.3
339.23361	1.7
379.12466	3.2
397.13486	14.1
397.18448	0.8
398.13556	1.0
415.14587	4.0
419.31760	0.9
497.80630	0.5
520.12811	0.6
557.24585	1.2
641.42108	3.4
642.42389	0.5
669.41687	1.7
817.51422	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	817.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01381	24.0
61.98831	100.0
69.73771	0.9
71.01387	10.8
72.99299	1.9
73.02941	1.3
75.61020	1.0
78.98555	1.1
79.95735	1.4
80.96520	7.8
83.01374	1.8
83.05046	1.1
85.02950	2.6
87.00891	2.5
88.98836	1.9
94.98101	1.1
99.00883	22.3
101.02441	1.1
111.00861	5.9
111.08195	1.3
112.98814	61.7
113.99137	1.4
115.00378	3.1
116.92824	1.2
125.02449	1.3
127.00313	1.1
129.01930	1.6
141.01718	2.5
145.01440	4.3
172.99451	1.8
173.00900	22.7
174.01575	3.4
197.11845	20.6
198.12276	1.5
209.11734	1.9
211.13420	2.1
235.08234	1.2
253.09294	2.5
291.19724	1.8
309.20609	6.2
311.23880	1.3
329.17770	1.7
331.70578	1.0
339.23254	1.1
433.20911	1.6
545.40656	1.3
641.42322	1.6
642.42444	1.2
669.41675	3.8
690.37720	1.2
817.51068	6.7
818.50958	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	817.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01066	1.1
59.01380	41.0
61.98831	100.0
68.53069	0.7
68.99866	0.9
70.65130	2.1
71.01384	9.9
72.99323	1.2
73.02966	1.0
76.71497	0.6
79.95760	1.9
80.96520	9.1
83.01384	4.2
84.25002	0.7
85.02969	2.5
87.00902	2.2
94.98096	1.0
99.00878	26.2
101.02454	0.9
102.54178	0.8
105.94471	0.7
111.00874	6.0
112.98814	71.8
113.99189	1.1
115.00392	3.3
122.97562	0.7
125.02454	0.7
127.00369	1.9
129.01974	1.1
134.97563	1.0
145.01408	3.8
148.24031	0.8
152.98616	1.1
164.98625	1.0
173.00919	23.5
173.02393	1.4
174.01410	1.1
179.10736	0.6
187.53375	0.7
197.11951	0.8
198.00024	0.8
209.11763	1.3
225.00766	1.1
276.09113	0.7
289.07452	1.2
335.02072	0.8
336.69333	0.7
346.45190	0.7
531.72858	0.9
781.03162	0.8
817.50787	8.2
818.51154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.3
61.98831	88.7
71.01378	4.7
71.31033	1.1
80.96516	2.3
81.03468	0.7
83.01392	1.2
85.02952	1.4
87.00904	1.0
88.98769	0.8
89.02469	2.0
96.99288	0.8
97.02976	1.9
99.00879	4.3
101.02456	2.2
111.00931	0.8
112.98810	11.0
113.02500	0.9
115.00375	0.9
125.02438	1.3
141.01706	48.5
142.05139	2.0
150.11356	0.7
173.00873	4.8
197.11913	2.8
209.11911	1.3
211.13391	1.3
235.08363	1.2
254.18335	0.7
277.21719	5.2
280.48083	0.6
291.19897	0.9
332.50372	0.7
359.21863	3.6
397.13474	8.7
398.13910	1.0
415.14905	2.5
419.11584	1.3
437.12830	3.6
469.06900	1.6
588.55103	0.7
697.34296	1.6
775.96564	0.8
817.50818	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.2
59.01386	24.0
61.98542	2.8
61.98833	42.8
66.16229	1.5
69.03436	5.1
71.01380	22.2
71.05009	2.1
71.52040	1.3
71.52435	1.9
72.99285	1.6
73.02930	2.9
81.03435	2.7
82.70000	1.6
83.01363	3.1
85.02931	6.5
87.00864	5.5
88.98785	1.8
89.02442	14.0
95.05014	2.0
96.96018	8.1
97.02968	3.6
101.02450	16.0
109.02963	2.4
109.06585	3.7
111.04523	2.3
112.06503	1.5
113.02442	6.4
115.00332	2.8
119.03493	3.0
123.04450	2.0
125.02428	5.8
125.09697	4.7
128.03568	2.4
133.10211	2.2
145.02975	2.0
146.04590	3.3
149.09721	2.2
151.11275	5.3
157.96808	1.5
161.04520	3.3
161.09673	4.4
163.11250	2.5
167.10773	1.8
175.02504	3.6
177.09254	2.3
179.05524	2.3
179.10797	7.9
179.12086	1.4
195.06606	2.1
195.10274	38.0
197.11830	54.4
207.10231	11.1
209.11832	4.0
211.13390	7.9
221.06609	3.4
225.11214	6.7
235.08339	2.5
241.10771	3.7
250.42177	1.4
250.51450	1.6
253.09254	1.9
264.01413	1.5
265.76352	1.6
306.07632	3.0
329.04697	1.5
339.23309	1.7
342.87076	1.4
383.22299	2.3
397.13373	7.4
401.23184	6.1
419.24155	3.8
445.72388	1.8
446.87729	1.7
621.23749	1.8
699.31696	1.9
773.33478	1.8
785.36798	2.1
799.37695	13.7
800.37427	3.3
817.35089	100.0
818.35681	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	815.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01364	1.0
61.98828	2.6
63.96238	2.9
69.03455	0.9
69.92540	1.2
71.01380	11.4
72.99292	0.3
73.02957	1.9
78.95906	0.4
78.98589	7.9
79.95022	0.4
79.95736	17.6
80.96516	100.0
81.03447	0.8
81.96500	0.4
83.01378	0.4
85.02946	3.5
87.00875	3.4
94.98086	21.0
95.01385	0.5
96.96018	1.6
97.02943	2.3
99.00888	1.2
99.04532	0.3
101.02436	3.4
106.98088	3.9
113.02493	0.5
121.94362	0.3
122.97579	4.7
125.02453	4.1
127.03981	0.8
134.97583	7.3
136.99130	2.0
146.96591	0.7
146.97644	0.5
148.99129	8.4
152.98624	7.1
152.99748	0.6
164.98627	13.3
167.00227	0.5
176.98706	0.4
194.51410	0.3
206.99689	2.8
225.00734	19.4
226.01083	0.6
232.68269	0.4
255.23257	1.8
277.21698	1.2
283.04834	0.5
298.90665	0.3
303.23380	0.4
342.85327	0.3
389.52371	0.3
502.62341	0.3
537.27258	1.2
559.26062	1.6
815.49805	69.3
816.50116	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	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
61.98818	3.5
63.96237	2.1
71.01381	12.2
71.50912	2.0
72.60126	1.2
73.02951	1.7
78.98592	8.9
79.95740	17.2
80.96521	100.0
81.03453	1.3
83.01392	1.4
85.02926	2.8
87.00873	2.6
90.48917	1.1
91.05718	1.2
94.98090	20.5
96.96014	1.8
97.02950	1.6
98.17249	1.3
101.02435	3.4
106.98099	4.2
122.97615	4.9
125.02473	2.7
127.03966	1.3
134.97575	5.1
136.99121	1.4
148.99141	8.5
152.98659	7.7
164.98653	16.9
179.77759	1.3
206.99573	3.1
225.00732	21.9
255.23274	3.2
316.76889	1.2
365.93210	1.4
406.11633	1.4
444.17599	1.3
459.62140	1.2
471.15247	1.2
537.27161	1.3
815.49884	94.3
816.50049	22.4
824.72833	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	815.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.7
61.98832	3.2
70.96339	2.8
71.01375	4.3
71.12695	0.9
80.02687	1.1
80.96512	2.2
83.05027	3.3
88.98778	1.6
89.02463	2.7
93.74046	0.9
101.02441	4.7
113.02448	1.9
145.05066	1.2
161.04582	1.8
163.11299	3.3
165.12823	1.2
175.16528	1.1
191.10728	1.3
195.97917	1.0
209.11824	90.0
210.12114	5.9
210.95039	1.1
227.12878	9.7
235.08228	7.3
253.09258	11.3
259.15500	23.8
260.15836	1.9
277.21729	100.0
278.22073	9.3
416.25858	1.2
445.20703	2.8
476.36612	1.1
513.30688	1.6
674.01123	1.1
767.93292	1.2
815.49548	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	815.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.9
61.98832	24.8
69.03442	0.8
69.48674	0.7
71.01373	2.2
71.01750	0.6
71.09448	0.6
71.50771	0.7
72.99310	0.9
78.95913	1.6
79.95757	1.2
80.96510	3.9
85.02974	0.6
88.98831	0.9
89.02446	2.2
94.98054	1.4
98.84863	0.6
101.02435	3.0
113.02456	1.9
119.03544	0.8
125.09679	0.8
137.09744	0.8
155.10797	1.6
161.04602	0.7
164.98611	1.2
165.09219	1.1
165.12947	0.8
183.10233	6.8
201.11322	1.6
209.11832	3.7
227.12871	2.6
235.08211	2.3
241.14200	0.7
253.09258	12.3
255.23254	1.3
255.38031	0.6
259.15485	100.0
260.15851	7.2
263.20129	1.0
264.19736	0.6
273.16980	0.8
277.21716	57.4
278.22073	6.8
279.23264	1.2
299.02100	0.6
433.84857	0.7
495.24615	4.1
513.30817	0.7
519.37109	3.8
556.72565	0.7
714.98785	0.7
797.41998	1.2
815.50391	2.9
816.50311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.9
59.01382	6.4
61.98832	14.7
64.92265	1.0
71.01382	5.7
71.51743	1.3
73.02955	1.8
78.95887	1.2
79.95757	2.3
80.96521	14.9
83.01390	1.2
85.02946	1.4
87.00876	2.6
88.98812	0.9
89.02464	2.1
94.98106	3.9
101.02453	4.6
113.02428	1.7
116.92960	1.0
119.03500	1.0
135.09116	0.9
145.04906	0.9
161.04538	2.2
164.98643	2.0
165.52055	0.9
183.10242	5.0
209.11836	1.7
224.38640	1.1
225.00728	3.1
227.12965	2.7
235.08228	11.4
253.09256	13.0
259.15482	76.2
260.15802	4.8
277.21710	100.0
278.22092	10.5
495.24387	1.7
513.30682	2.2
519.36536	2.1
815.49908	13.9
816.49786	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	814.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78585	0.3
58.64078	0.3
60.31669	0.3
61.98830	100.0
69.46618	0.3
78.95901	0.5
80.96507	0.5
83.67494	0.4
94.98108	0.5
141.49179	0.3
149.71562	0.4
172.68970	0.4
277.21841	1.2
278.21909	0.4
307.70654	0.3
403.35428	0.4
427.88782	0.4
815.50171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98832	100.0
62.98514	0.2
67.09306	0.1
69.20100	0.7
69.20523	0.6
71.01389	0.2
77.59144	0.1
80.96532	0.2
89.02448	0.2
94.42751	0.1
123.04536	0.1
151.03938	0.1
169.12349	0.3
197.11841	2.9
197.13547	0.2
209.11853	1.1
210.12201	0.4
211.00337	0.1
245.19107	0.1
253.09343	0.5
277.21814	0.2
289.18100	1.0
292.13345	0.1
293.21231	0.2
307.19141	0.9
343.61874	0.1
462.00677	0.1
648.89490	0.2
815.50696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22491	0.1
59.01381	0.3
61.98830	100.0
62.32344	0.1
62.98536	0.2
65.22324	0.1
71.01400	0.1
71.31219	0.2
78.91936	0.2
78.95917	0.1
80.96513	0.2
84.70553	0.1
88.98835	0.3
89.61619	0.1
111.15834	0.1
128.46756	0.1
129.61049	0.1
145.69374	0.1
146.54362	0.1
169.12410	0.2
197.11841	2.0
200.13841	0.1
209.11888	0.3
215.10861	0.1
224.49739	0.1
227.13010	0.1
248.98619	0.1
277.21820	0.1
291.19659	0.2
307.19180	0.4
351.45770	0.1
675.09802	0.2
815.50702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98832	100.0
62.98540	0.2
68.62271	0.2
71.01382	0.2
80.96531	0.4
83.05031	0.2
88.98820	0.3
90.34468	0.1
98.19872	0.4
99.21867	0.1
101.80548	0.2
116.92850	0.2
118.56113	0.1
137.11349	0.1
154.64775	0.1
165.12868	0.2
197.11949	0.3
207.10368	0.2
209.11824	3.1
210.10550	0.1
210.12199	0.9
225.11433	0.2
227.12894	0.4
245.19202	0.2
246.19693	0.2
253.09300	0.4
270.69778	0.2
289.07135	0.2
289.18140	0.8
290.18521	0.5
307.19165	0.9
308.19608	0.4
751.39581	0.2
815.49774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01386	3.9
61.98832	100.0
62.98539	1.2
71.01379	1.2
71.51504	1.0
72.99326	0.9
85.56202	0.7
86.99456	0.8
87.00881	1.0
89.02423	1.0
101.02445	1.0
104.44261	0.8
113.02454	0.9
117.07124	1.8
191.30972	1.0
195.13837	2.0
211.13452	1.1
223.13184	1.2
235.08179	2.4
241.14455	45.7
242.14806	3.0
253.09305	6.4
273.18729	0.8
275.20230	4.2
277.21622	1.5
291.19849	0.8
293.21228	24.9
294.21561	3.3
321.15997	0.8
463.69919	1.0
477.23181	1.6
526.27429	0.9
813.42902	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	812.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98830	100.0
62.98513	0.2
66.82133	0.1
72.01241	0.1
72.38460	0.1
80.19867	0.1
88.98811	0.1
89.77978	0.1
97.06537	0.1
153.15866	0.1
216.18102	0.1
223.13423	0.2
277.21725	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	812.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98832	100.0
62.98546	0.4
63.09877	0.3
70.63320	0.9
71.01397	0.3
72.99306	0.3
78.95930	0.3
88.98827	0.6
89.02432	0.4
89.71829	0.3
94.00087	0.3
95.82750	0.3
101.02435	0.3
112.88197	0.3
171.10345	0.4
187.05759	0.3
198.16510	0.3
209.11896	0.7
211.13449	0.6
223.13336	0.6
224.13914	0.4
241.14545	0.9
255.23203	0.3
277.21762	0.7
291.19632	1.5
292.19998	0.3
812.45654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.7
61.98838	7.5
63.96242	1.5
69.39430	7.3
69.39851	3.2
71.01379	13.6
78.95890	3.0
78.98589	9.2
79.95732	17.5
80.96520	91.1
81.03418	1.5
85.02951	3.6
87.00860	3.1
94.97584	1.8
94.98096	20.5
96.95998	2.2
97.02923	1.9
101.02409	3.5
101.03044	1.5
106.98089	2.6
122.97548	5.3
125.02386	2.7
134.97543	3.8
136.99135	2.4
148.92273	1.4
148.99181	7.0
152.98601	6.9
159.83543	1.3
164.98610	13.8
206.99747	3.6
225.00748	22.4
255.23222	2.6
273.17151	1.6
289.53540	1.6
391.96820	1.5
811.45190	100.0
812.45532	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	811.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	1.2
61.98836	15.6
63.96243	2.3
67.81279	1.0
71.01379	9.9
71.50806	1.2
73.02934	2.0
78.95926	1.3
78.98598	8.2
79.95739	20.3
80.96518	100.0
85.02945	4.3
87.00867	2.6
94.98093	22.3
96.96014	1.5
97.02936	1.5
101.02417	3.2
101.95536	1.1
106.98089	3.7
122.96764	1.2
122.97564	6.7
125.02402	4.6
134.97586	7.4
136.99072	2.2
139.18234	1.2
148.99098	6.9
152.98633	7.0
164.98636	14.8
206.99770	2.4
225.00728	19.2
255.23230	2.3
273.17050	1.2
420.53796	1.3
811.45056	99.6
812.45361	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	811.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.4
61.98831	29.8
64.40127	3.3
71.01378	5.7
71.51515	4.5
74.20646	3.4
75.00864	4.8
85.02975	4.1
87.00889	3.7
89.02456	4.7
91.62704	3.1
93.58579	2.9
101.02424	7.9
111.08160	8.9
123.41750	3.0
125.02473	4.4
141.08968	3.0
151.04053	3.9
153.35719	3.0
160.64691	3.1
161.02466	3.6
169.12396	3.4
173.04501	8.2
179.10767	4.0
191.34619	3.9
195.13896	8.6
197.11836	46.6
205.12349	10.8
209.11873	7.7
211.13425	10.5
223.13393	100.0
223.37814	3.1
224.13792	7.1
235.08276	5.3
242.56250	3.1
253.09389	17.6
265.67084	3.5
291.19727	19.9
293.21106	4.2
301.96762	3.0
309.20691	59.7
310.21149	3.9
459.22394	10.0
545.29620	5.5
751.42139	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	811.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.3
59.01378	21.3
61.98832	88.5
64.18246	2.0
68.84802	2.2
71.01370	7.8
71.05009	2.3
71.51646	2.5
74.71458	2.1
81.03455	3.4
83.01403	4.1
83.05032	3.0
85.02957	4.7
87.00886	2.3
88.04024	2.5
89.02443	3.9
97.02954	9.3
97.06596	3.8
99.00882	15.4
101.02437	7.5
109.02969	3.1
113.02407	2.5
119.03487	2.4
123.04497	7.2
123.08131	2.1
125.02431	9.2
125.09756	11.2
136.76465	2.4
137.09631	2.6
142.02679	2.7
151.04025	5.5
161.04568	2.6
163.11348	14.8
181.12341	16.1
185.11800	9.2
191.14377	4.9
197.11850	3.2
207.10266	60.6
209.11807	22.6
211.13406	7.9
223.13420	15.3
225.11320	100.0
226.11655	4.7
235.08183	4.6
243.12387	12.6
245.19084	12.8
253.09204	8.9
260.73856	2.3
277.21750	2.4
289.07224	4.7
289.18079	49.9
290.18405	3.6
291.19647	7.1
307.19174	39.0
308.19391	4.5
309.71289	2.3
443.18967	3.9
459.22348	2.8
461.20184	27.2
462.20502	3.1
464.24472	2.4
471.30722	2.3
549.23566	2.3
607.35376	2.3
653.31689	11.9
654.31757	3.8
733.38434	4.3
751.38904	25.4
752.39709	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	809.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35240	53.9
70.45021	100.0
70.45331	51.5
77.23577	56.1
206.57826	52.1
254.46216	62.4
277.21692	99.6
299.46567	53.1
369.69693	66.0
670.51709	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.7
58.86912	0.5
59.01377	22.5
70.52239	0.6
70.52579	0.7
72.99294	2.1
76.57414	0.4
84.99306	2.3
87.00874	21.9
96.95990	0.5
101.06079	96.1
102.06429	2.3
103.00371	17.0
112.98810	31.8
114.34681	0.4
119.04956	0.4
119.07656	0.4
125.02442	2.2
130.99863	6.5
135.04501	0.6
137.02419	0.9
149.00900	0.5
161.02428	0.8
165.01898	0.6
173.04530	1.1
177.01840	0.5
179.03452	0.5
191.05551	0.6
206.92149	0.4
233.06648	100.0
234.06970	4.1
287.05606	0.6
289.07162	1.3
353.08881	0.6
407.07755	1.4
425.08792	1.8
451.10635	0.7
577.13525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01379	30.8
61.98829	11.4
69.03457	3.1
71.01377	6.9
71.05026	1.5
73.02942	1.4
75.00863	1.3
78.95882	0.9
80.02695	1.8
81.03454	2.8
83.01398	4.2
83.05025	2.0
85.02941	2.5
85.06651	1.3
87.00883	3.6
89.02422	5.2
93.03465	1.1
95.05039	2.8
95.50525	0.9
95.83975	0.9
97.02972	1.2
97.06585	4.7
98.20687	2.0
101.02444	6.8
113.02469	4.0
121.06544	1.4
123.04522	4.0
123.08161	1.7
125.02396	1.2
125.09708	7.1
134.35968	0.9
135.08105	1.5
137.09747	3.1
138.01717	1.1
147.08241	0.8
149.06087	1.4
149.09625	1.4
152.39481	0.8
161.04553	2.6
163.11290	6.4
165.12856	1.7
167.10747	3.8
177.12816	2.5
179.10786	1.7
179.14426	3.1
181.12332	1.9
185.11801	8.4
190.87920	0.8
191.14401	8.7
194.38115	0.9
195.13892	9.8
205.12329	12.1
207.10271	4.3
209.11829	18.1
211.13408	1.3
217.15895	1.7
223.13385	100.0
224.13690	5.1
225.01778	0.9
225.11301	3.8
235.08260	4.4
235.83792	1.0
237.11282	3.0
245.19064	14.5
246.19408	1.8
253.09296	17.5
254.09573	1.1
263.20120	3.1
271.16928	1.7
277.21750	2.1
289.18091	75.0
290.18417	4.3
307.19138	62.8
308.19583	5.0
397.23578	1.7
415.24753	1.8
445.20142	1.1
459.22379	3.8
495.31110	1.6
513.32135	1.5
525.27020	3.7
543.28070	1.3
633.32703	9.5
634.32617	1.3
651.33502	3.0
713.39294	3.3
728.66187	1.0
731.40216	2.1
749.41339	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	808.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
105.57735	0.2
110.22381	0.2
111.60091	0.2
222.21817	0.2
230.29143	0.2
546.75641	0.3
564.74976	0.3
605.30359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
59.01379	28.9
61.98838	10.1
69.03448	2.6
71.01392	9.0
71.05022	2.3
71.50570	1.8
73.02940	1.4
77.89098	1.3
83.05042	1.5
83.40501	1.3
85.02951	3.1
87.00887	1.9
89.02435	5.0
95.01389	1.8
95.05006	1.3
97.06601	6.0
101.02462	7.0
109.03008	1.5
109.06608	1.9
111.00930	1.3
111.08160	2.2
113.02439	1.7
119.03505	1.6
121.36047	1.1
123.04515	1.4
125.02404	1.2
149.43990	1.6
151.03973	1.4
151.11288	2.5
153.09148	1.3
155.07104	2.4
155.10727	1.6
161.04549	1.7
162.62148	1.3
165.12842	4.6
167.10768	5.6
171.10315	1.7
173.08138	1.7
177.12816	2.0
179.10710	2.9
179.14407	4.0
181.12337	4.7
191.10783	2.3
191.14511	1.6
195.13889	10.4
205.12335	12.4
209.11824	16.3
211.13394	1.5
223.13391	100.0
224.13742	6.9
227.12923	3.6
235.08211	5.3
245.19096	4.1
253.09219	9.6
255.23189	4.2
263.20193	8.1
277.21689	8.2
278.21832	1.6
289.18076	11.4
307.19144	36.9
308.19424	3.1
397.13641	6.4
411.31738	1.4
415.14517	1.8
415.25006	1.6
445.20932	6.7
459.22299	8.3
525.27246	2.7
543.27948	7.4
567.41840	1.5
595.31122	2.2
651.34033	2.8
749.41272	4.3
809.44385	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	808.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.1
59.01381	0.8
61.98831	100.0
62.98518	0.2
70.34433	0.3
70.34820	0.4
71.01389	0.5
85.02954	0.3
87.00872	0.2
89.02449	0.2
96.96013	0.4
99.00885	0.1
101.02448	0.2
109.77277	0.1
113.02509	0.3
116.92886	0.1
119.05040	0.2
123.04529	0.2
124.83579	0.1
125.02474	0.3
132.03094	0.1
137.02472	0.2
145.02927	0.1
149.02341	0.2
161.02467	0.2
175.02560	0.1
175.03973	0.2
176.55618	0.1
191.05661	0.1
195.06746	0.2
219.28491	0.1
289.07162	0.1
297.25217	0.2
424.99945	0.1
441.15714	0.1
474.20102	0.1
480.56906	0.1
569.77417	0.2
629.26080	0.1
772.21967	0.2
809.28870	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64029	10.5
59.01368	10.0
61.98830	88.6
65.01231	9.0
70.36940	38.0
83.49316	9.2
83.93333	8.8
154.90334	9.5
201.56934	9.9
209.11842	100.0
211.13463	9.3
223.13451	27.8
227.12857	22.6
228.71979	11.1
235.08157	13.5
253.09187	32.8
259.15887	13.5
283.77203	9.9
293.21268	84.3
433.51337	10.9
445.20587	21.3
505.06036	11.1
622.13989	11.1
740.90515	11.6
807.43066	40.3
808.43878	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	807.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
61.98829	100.0
68.66448	4.7
70.24057	3.9
71.52484	5.2
78.95924	5.5
116.92857	12.7
123.04550	10.9
126.18042	4.3
151.04030	7.4
161.02390	5.2
171.10249	7.1
197.11815	6.5
199.13316	6.3
201.11320	12.6
209.11757	24.9
225.11388	10.6
227.12849	13.3
253.09261	11.9
289.07220	6.0
289.17966	9.5
303.74948	5.4
307.19086	14.6
309.20633	7.7
518.16730	5.1
807.38092	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	807.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.0
61.98819	6.4
67.97523	1.1
69.80847	4.6
71.01366	1.8
72.99348	1.0
78.33640	1.0
84.37413	1.0
87.90278	0.9
93.03442	2.8
98.20625	1.9
109.02924	1.2
113.02469	1.1
121.02914	5.8
122.03738	12.4
123.04517	1.6
125.02453	2.8
133.02951	2.2
135.04459	1.4
136.01627	2.5
137.02461	3.3
137.48532	1.0
148.01601	1.1
149.02438	33.9
150.03229	93.1
151.03610	3.7
153.18652	0.9
160.01773	1.3
164.04819	9.5
165.01889	3.8
165.05563	100.0
166.05930	3.2
175.02553	1.1
179.07031	1.1
180.04300	6.5
191.05405	1.5
195.06615	62.1
196.06898	2.3
205.04889	1.0
207.13176	1.1
215.77721	0.9
225.07713	2.5
270.08862	2.1
283.09897	1.6
285.11273	3.1
286.08469	1.4
294.63251	1.2
299.09326	2.0
299.12769	1.9
314.07947	2.5
325.10721	2.2
326.07953	1.9
327.05176	1.4
327.12198	4.8
328.13068	7.3
329.10379	6.3
330.10895	1.3
334.90204	1.1
340.12820	1.3
341.10303	10.5
343.15411	2.9
344.12613	10.1
345.13004	1.4
356.12607	4.0
357.06146	1.4
359.14990	25.9
360.15485	1.8
371.14920	22.0
372.15515	1.8
389.16058	1.4
399.33438	1.2
461.16022	1.7
492.17874	4.2
507.20419	6.7
508.20892	1.5
537.21283	53.2
538.21753	7.6
567.22742	1.1
585.23346	95.1
586.23706	16.7
590.09949	1.2
648.81567	1.4
721.71362	1.3
807.34650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01376	2.9
61.98827	2.8
68.05780	0.2
68.46213	0.2
69.03449	0.4
70.58685	0.5
71.01379	2.7
71.05022	0.2
73.02934	0.5
78.95892	0.3
80.91688	0.2
80.96475	0.2
83.01383	0.3
83.05013	0.2
85.02935	0.8
87.00880	0.4
89.02453	1.9
95.01379	0.3
95.05049	0.2
96.41713	0.1
97.06575	0.2
99.00871	0.2
101.02443	2.3
101.83524	0.1
111.08157	0.4
113.02450	1.2
119.03486	0.5
121.10255	0.3
143.03488	0.3
161.04535	1.4
167.10759	0.3
171.10277	1.5
177.12794	0.2
179.05627	0.3
179.14517	0.8
195.13896	8.7
196.14362	0.9
205.12285	0.7
205.15988	0.5
211.13364	0.5
223.13371	5.9
224.13930	0.4
225.15031	0.2
228.13600	1.0
231.21149	0.5
235.08272	0.9
249.11093	0.6
253.09271	15.9
254.09648	0.5
256.13144	1.3
257.00534	0.1
265.21744	0.5
275.20139	6.7
276.20590	0.6
277.21713	0.7
291.19681	0.3
293.21204	100.0
294.21527	7.6
309.20682	0.4
492.22083	0.6
529.30078	0.8
569.41992	1.0
570.42035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.6
59.01377	6.8
61.98827	5.5
69.03422	0.5
71.01385	6.1
73.02940	1.5
80.96513	1.4
83.01381	0.8
83.05013	0.5
85.02954	1.5
87.00870	0.8
89.02438	3.4
91.04021	0.4
99.00835	0.5
101.02441	4.7
106.93672	0.4
109.06570	0.6
111.08151	7.0
113.02444	1.9
119.03484	1.2
121.77239	0.4
143.03551	0.5
145.05043	0.8
151.11241	1.0
161.04553	1.8
167.10811	0.6
169.12334	2.9
171.10287	0.9
176.91098	0.4
179.05591	0.7
181.12363	0.7
197.11823	40.9
198.12122	1.9
199.13362	3.2
209.15538	0.8
211.13377	5.0
225.14838	0.6
225.32896	0.5
227.12904	1.4
235.08208	6.0
245.17531	0.5
253.06653	1.0
253.09265	16.7
253.21698	0.8
254.09676	0.9
263.20129	2.7
265.17792	1.1
273.18710	0.7
277.21707	100.0
278.22040	7.9
291.19656	20.5
292.20035	1.9
309.20694	44.8
310.20978	3.5
392.97012	0.5
491.14246	0.6
522.57983	0.6
527.28656	0.6
545.29565	0.9
634.75519	0.6
749.40845	0.5
805.41522	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	805.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01369	1.6
59.51984	0.5
61.98834	13.3
64.63372	0.5
71.51704	0.6
80.96507	1.4
87.00867	0.5
91.98739	0.5
95.05029	0.5
106.98049	0.6
107.58126	0.4
111.08150	6.8
125.02352	0.6
137.09782	0.5
139.11360	0.7
151.11301	0.7
165.12813	0.5
167.10757	1.7
171.18091	0.5
177.12848	1.3
179.10799	0.8
195.13916	4.3
203.14510	0.7
211.13359	1.0
247.20699	2.2
253.09412	1.0
273.18646	1.4
277.21683	4.7
278.22055	0.6
291.19656	100.0
292.19977	8.8
368.41928	0.6
580.38007	0.5
668.35376	0.6
735.68665	0.6
805.40625	1.8
814.20166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95194	9.8
58.52412	10.5
59.01387	18.8
61.98838	89.4
68.99571	100.0
70.62984	36.4
75.30058	10.3
91.11450	11.5
109.05231	11.4
112.98578	87.7
116.92860	19.5
136.87918	10.2
150.66336	11.0
211.13393	12.4
211.43407	11.1
224.16385	12.0
253.09425	16.0
277.21661	72.2
278.22012	13.3
279.22952	13.9
293.21170	17.2
624.40155	16.8
632.14679	10.3
658.84277	14.0
805.42816	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	805.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01334	7.0
61.98829	100.0
68.99586	50.6
69.30244	17.2
69.30666	33.9
73.42814	6.1
78.91889	34.1
78.95899	14.8
89.40612	5.7
98.20687	12.4
112.65534	6.5
112.98570	47.3
152.99640	6.4
169.60800	6.4
253.09242	6.8
273.17023	13.6
277.21692	26.5
277.39063	6.4
278.22021	7.7
279.23483	8.8
293.20984	11.5
405.09534	5.6
453.98547	6.6
520.34546	7.2
713.46008	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	805.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67916	1.9
61.98830	100.0
63.99249	12.8
66.50774	2.2
69.18886	20.4
78.95895	2.6
96.47469	2.0
107.60751	2.2
191.32274	2.0
196.67659	2.0
214.99246	1.9
253.09312	2.1
266.74036	1.8
273.17017	2.9
277.21753	9.0
278.22055	3.2
279.22958	2.1
293.21283	4.7
349.14059	2.2
385.87613	2.0
453.04221	1.9
470.82217	2.0
617.91498	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	805.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74791	5.5
59.01387	8.5
60.82539	5.5
61.98832	100.0
71.50383	8.2
79.95743	5.2
80.96507	11.2
123.04465	8.1
125.02448	14.6
137.02448	6.7
151.04047	9.1
158.39461	5.6
158.42151	5.4
159.12161	5.6
161.02443	6.9
169.93089	5.7
209.11810	54.1
212.08942	5.3
217.14345	9.8
227.12840	14.3
289.07104	14.2
290.07462	6.3
291.19574	66.5
439.18488	5.8
494.38892	5.8
527.28668	13.0
565.80518	6.0
612.07697	6.0
719.39716	6.6
805.39362	21.9
806.42072	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	805.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.7
61.98829	11.7
71.01367	5.4
71.50391	3.5
78.95838	2.5
80.96484	2.2
84.95126	3.1
89.02447	3.8
101.02434	2.4
113.02464	2.3
121.10278	2.8
125.09682	3.8
145.17096	2.2
152.99599	3.1
158.28185	2.5
171.10251	3.9
180.84509	2.4
185.11771	2.6
211.13394	32.0
235.08243	5.6
251.16426	2.9
253.09265	9.2
253.21721	5.1
273.16953	3.5
277.21707	100.0
278.21979	10.1
291.19714	30.7
307.05856	2.3
309.20581	7.3
324.64261	2.3
441.10083	2.8
517.44122	3.1
805.41724	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01376	9.6
71.51134	6.9
79.95732	9.6
80.96514	52.6
81.87063	4.8
94.98100	15.6
110.96033	5.3
134.97523	6.2
148.99120	6.5
164.98555	5.9
196.17636	6.1
211.13460	16.6
225.00722	14.5
236.86133	5.2
277.21552	5.9
291.19550	11.3
312.87955	4.8
388.38708	5.1
715.38055	5.7
805.40332	54.6
806.40601	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	805.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	13.8
61.98833	100.0
71.01398	9.2
71.22124	9.6
88.98804	4.6
94.37722	4.2
96.96021	5.1
101.02449	9.5
104.02047	4.7
116.92863	25.2
125.02399	6.7
143.27380	4.5
155.32693	4.4
171.10262	12.9
172.24831	5.5
192.69511	4.3
197.11848	22.1
211.13406	17.6
212.13754	6.7
223.13362	48.0
229.14388	5.6
235.08188	15.8
253.09280	19.1
291.19653	5.7
309.20685	10.3
327.21805	55.8
350.32355	4.2
378.04135	5.3
407.87656	4.2
456.93457	4.7
459.22363	19.4
545.29730	9.1
563.30591	6.6
769.40802	37.7
770.41589	10.8
805.41217	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	805.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.2
59.01382	19.6
61.98829	54.0
64.81120	3.1
70.75069	7.3
70.75442	6.0
71.01392	15.0
72.99332	4.5
73.02962	4.4
73.04089	10.5
74.02483	4.0
82.02987	4.5
83.02505	4.3
85.02959	5.3
85.04089	5.2
87.00900	5.6
89.02456	9.3
95.02517	4.1
96.00925	21.1
96.96010	7.6
97.02912	3.6
98.02459	19.1
101.02464	7.3
109.02930	4.5
109.04080	8.7
110.02489	37.7
113.02451	8.2
113.03571	49.4
115.05146	7.8
116.92869	11.3
119.05051	4.5
122.06126	10.0
125.02457	9.8
128.03526	3.0
129.10358	17.8
130.06209	7.6
130.08746	56.9
134.92488	3.4
138.01921	3.4
141.10355	9.0
143.11919	29.4
145.02905	3.6
146.06123	10.7
149.00967	6.4
149.02394	4.5
149.03506	4.5
150.03133	5.2
151.04008	4.3
151.08742	4.1
152.07162	11.5
153.03067	12.1
161.02420	4.5
165.01953	4.1
165.05562	3.2
167.10643	5.8
168.09024	3.9
168.11443	19.4
169.09840	15.0
171.10271	3.7
175.02469	3.5
177.01978	5.7
186.12508	13.3
187.10898	19.2
189.01820	3.6
196.66389	3.7
197.11775	5.8
199.08733	5.8
200.14108	12.0
205.05029	4.1
209.11850	7.8
210.05162	3.9
210.12433	25.5
217.01456	5.2
228.13579	8.7
241.13426	16.5
242.09447	3.5
244.13219	5.0
253.24272	3.0
258.15988	7.3
269.04602	4.1
276.17218	6.4
280.13052	4.1
285.04071	4.4
289.07294	3.5
294.28937	3.1
324.11899	17.3
333.19174	4.7
341.14664	26.8
342.14914	3.8
357.19223	14.7
364.59177	3.3
375.20105	19.0
395.84692	3.4
505.80865	3.6
611.25146	7.2
625.26538	8.0
643.27771	7.5
685.28320	3.6
717.35547	32.6
761.38318	83.7
762.38416	22.6
805.41486	100.0
806.41101	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	805.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01373	4.3
61.98825	4.5
71.01384	3.9
71.52790	1.5
81.03462	1.4
85.02948	20.0
86.17117	1.1
87.00899	4.9
87.01388	0.8
93.03455	10.2
95.05024	1.5
96.95985	1.6
99.04520	2.3
101.02432	1.3
108.02167	1.7
109.02943	29.4
111.04539	2.3
113.02433	1.7
119.04970	1.4
121.02932	1.1
122.03716	1.5
123.04527	15.7
124.01704	1.1
125.02424	3.9
127.03984	3.5
131.41005	0.9
133.02916	2.4
135.04514	8.8
137.02419	2.9
145.02905	1.5
149.02397	2.4
150.03316	1.8
151.04001	9.8
161.02425	4.9
163.03961	1.0
167.03531	7.3
168.03806	1.7
171.03001	1.1
173.04576	8.1
177.01886	10.0
178.02109	1.0
179.03441	4.4
187.04074	1.4
189.01923	20.1
190.02602	3.1
191.03783	3.6
191.05605	83.2
192.05969	3.1
195.06505	1.1
197.04529	1.2
202.02695	2.1
203.03500	4.3
214.02762	1.7
215.03505	12.0
216.00667	2.7
217.01398	17.9
217.04765	1.1
219.03038	6.4
229.01411	3.6
229.04953	2.2
231.02966	5.2
234.01790	1.5
239.03531	1.5
242.02101	8.1
243.02951	7.1
245.04608	1.8
255.03052	1.5
257.04605	1.2
269.00897	7.4
274.01172	8.2
284.03256	4.1
289.07449	1.9
297.04181	1.2
298.29498	1.0
309.04065	4.3
323.05569	4.4
334.21979	1.1
341.02502	2.3
341.06622	47.8
342.07050	3.1
349.06946	1.5
351.05176	2.8
353.08972	5.9
367.08258	4.8
379.04626	3.1
380.04514	1.4
393.01022	1.9
393.06155	34.1
394.06488	3.8
451.10321	10.4
452.10977	1.7
461.08698	4.7
503.09833	88.5
504.09979	12.4
550.59174	1.2
613.13489	100.0
614.13678	17.6
631.14478	4.5
786.10077	1.2
805.19806	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	805.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.1
61.98827	2.4
67.01884	1.5
71.01388	3.8
71.52911	0.9
75.37429	0.8
81.03468	2.1
83.05047	1.6
85.02950	19.5
87.00882	3.2
93.03458	13.5
95.04995	1.2
97.02953	0.9
99.04546	1.1
108.02194	2.6
109.02953	35.8
109.03701	1.9
111.04525	2.6
115.00348	0.9
121.02910	1.2
123.04520	14.5
125.02439	2.3
127.03999	3.8
133.02953	2.7
134.03719	0.9
135.04538	13.5
137.02444	3.5
139.03900	0.9
143.67992	0.8
145.02899	1.4
150.03181	1.1
151.04004	10.6
155.03461	0.9
161.02412	6.2
161.04643	1.1
163.04056	1.3
173.04558	13.3
177.01955	10.8
179.03482	7.6
187.04083	1.3
189.01930	22.1
190.02582	3.5
190.41852	1.1
191.03732	3.7
191.05618	86.5
192.05984	2.6
192.82800	0.9
197.70430	0.9
201.01860	1.3
203.03464	5.5
205.08710	1.6
214.02750	1.1
215.03517	11.4
216.00624	2.4
216.03842	1.1
217.01404	16.8
218.01854	1.2
219.02954	4.4
229.01453	3.9
229.05115	1.1
231.02969	4.2
234.01671	2.7
239.03546	2.4
242.02185	7.5
243.02979	8.3
245.04526	1.0
246.01714	1.0
255.02914	1.8
257.04572	1.1
269.00943	6.9
274.01187	8.5
281.04504	1.3
284.03232	2.4
289.07104	1.8
290.07413	1.1
297.04095	1.9
309.03915	3.5
323.05658	4.5
335.05441	1.1
337.03751	1.4
339.05063	1.4
340.13690	1.0
341.06631	53.5
342.06903	4.7
349.07150	2.1
351.05084	2.8
353.08853	7.8
367.08102	3.0
379.04755	4.4
381.06195	1.1
393.06168	37.8
394.06409	4.2
451.10358	11.9
461.08554	4.3
503.09848	82.6
504.10126	10.7
506.15942	1.6
613.13477	100.0
614.13776	14.1
631.14386	1.8
662.26532	1.3
749.19836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
65.22657	0.1
67.01894	0.2
71.01382	0.5
71.50774	0.2
79.95736	3.8
82.82316	0.1
85.02947	1.2
87.00884	0.4
93.03456	1.8
96.96010	100.0
97.95919	0.3
98.95573	0.3
108.02179	0.7
109.02958	1.8
111.04509	0.4
115.00366	1.3
121.02943	0.3
127.04046	0.4
127.14548	0.1
128.39706	0.1
133.02907	0.2
135.04527	1.7
136.04820	0.2
137.02475	0.3
148.05263	0.2
149.00870	0.1
149.06090	0.4
155.03487	0.6
161.06084	1.0
173.04543	4.9
179.03523	0.9
182.81911	0.1
191.05608	13.4
191.98157	0.1
192.05971	0.5
201.68927	0.1
241.05077	0.2
242.05833	2.9
243.06596	1.8
269.08206	0.2
271.09732	4.3
272.10193	0.4
294.56021	0.2
297.07706	0.3
341.06644	0.1
353.08813	1.1
359.00739	0.2
359.07697	3.3
360.08469	0.2
408.07083	0.2
457.45511	0.2
463.11066	0.3
489.14185	0.2
533.12982	4.3
534.13513	0.5
556.52728	0.2
707.18268	7.2
708.18359	1.2
805.15424	0.6
806.15613	0.2
822.13733	0.2
822.30994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31942	0.1
65.76250	0.1
67.01885	0.3
71.01373	0.8
79.95738	4.1
85.02943	1.3
87.00873	0.4
93.03448	1.9
95.62193	0.1
96.96008	100.0
97.95938	0.3
98.19804	0.2
108.02164	1.0
109.02964	1.4
111.00843	0.2
111.04538	0.5
115.00349	0.9
121.02940	0.3
123.04542	0.2
127.03982	0.3
133.02960	0.2
134.03677	0.2
135.04524	1.5
137.02394	0.3
147.04501	0.2
148.05304	0.2
149.06053	0.6
155.03526	0.4
161.02249	0.2
161.06107	0.7
165.36989	0.1
173.04544	5.4
179.03531	0.9
191.05614	12.5
192.05904	0.4
239.11357	0.1
241.05165	0.3
242.05815	2.8
243.06583	1.6
271.09711	4.6
272.09940	0.4
289.05679	0.3
297.07663	0.4
315.09052	0.2
341.06689	0.2
353.08777	0.9
359.07672	3.0
360.07999	0.2
463.10934	0.4
515.11646	0.2
533.12958	4.5
534.13251	0.7
611.55817	0.2
707.18231	6.0
708.18286	1.3
805.15186	0.6
806.15601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98833	100.0
62.99232	0.2
64.88452	0.2
71.51421	0.2
71.51813	0.2
78.95925	0.3
80.96527	0.8
102.87933	0.2
121.03061	0.3
125.02461	0.5
151.03999	0.3
157.62782	0.2
161.02495	0.3
199.01505	0.2
209.59181	0.2
217.14528	0.7
218.14876	0.4
277.21951	0.2
281.04791	0.2
289.07431	0.6
307.19266	0.3
351.57477	0.2
492.56992	0.2
805.40070	0.9
807.16089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44677	0.1
61.98832	100.0
62.98547	0.2
69.92596	0.4
80.96489	0.1
94.99654	0.1
160.36153	0.1
170.73593	0.1
464.72025	0.1
476.66772	0.1
619.33484	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	803.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12745	0.4
57.03450	1.3
59.01379	4.8
61.98836	6.7
69.03454	0.8
70.91808	1.0
70.92177	0.9
71.01387	3.7
73.02979	0.7
76.44665	0.5
85.02975	0.9
87.00904	1.3
89.02457	2.3
90.30563	0.5
95.05057	0.9
101.02461	4.6
111.08169	7.0
113.02469	1.5
119.03506	1.2
129.58307	0.7
129.72919	0.5
139.70097	0.5
149.09666	0.6
161.04556	1.7
167.10785	2.2
175.52167	0.5
177.12833	1.6
179.05544	0.9
179.10878	1.2
179.14545	0.6
195.13907	11.4
196.14584	0.6
223.13377	4.8
224.13977	0.7
228.61629	0.6
235.08253	3.0
247.20673	1.4
253.09288	14.9
254.09543	0.7
256.13202	1.1
273.18552	1.3
275.20114	4.6
277.21765	1.8
291.19669	100.0
292.19986	9.6
293.21234	78.9
294.21582	6.1
296.72885	0.6
340.89969	0.6
448.74576	0.5
527.28674	6.8
528.28937	1.0
529.29901	0.9
803.40704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98832	100.0
62.46133	0.5
62.98533	0.9
63.71550	0.5
63.82323	0.5
63.96228	0.6
63.99261	1.2
71.01391	2.9
71.94520	0.4
78.98601	2.7
79.95740	10.8
80.96519	25.5
81.34068	0.5
85.02977	1.2
87.00901	0.9
94.98091	5.3
95.05139	0.5
96.96012	0.8
97.02968	1.2
98.19839	0.8
101.02440	1.0
106.98091	1.5
109.02937	0.9
112.98894	0.6
116.92878	0.8
122.97586	1.1
123.04571	0.9
125.02470	3.6
134.97601	1.5
136.99164	0.6
148.99144	1.7
151.04027	1.9
152.98651	2.2
161.02371	0.8
164.98633	5.4
175.04077	0.5
177.01906	0.5
183.13922	1.3
206.99652	1.3
221.93887	0.6
225.00743	9.1
229.55132	0.5
239.28676	0.5
277.21866	0.6
283.04974	1.1
289.07294	2.3
289.18295	0.5
341.16693	0.5
509.16992	0.7
803.38934	33.7
804.39172	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	803.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22387	0.5
57.03447	0.7
59.01382	5.9
61.98833	7.3
67.85801	0.6
68.01361	0.6
69.03493	0.7
69.35030	5.2
71.01382	3.7
78.95901	0.7
85.02991	0.7
89.02433	3.0
95.05009	0.9
101.02454	3.0
109.39240	0.6
111.08160	8.0
113.02451	1.8
119.03473	0.8
123.08241	0.6
137.09648	0.9
139.69261	0.6
143.03467	0.7
161.04567	2.3
167.10803	2.1
171.10292	0.9
177.12825	2.0
179.05721	0.8
179.10782	1.6
179.14249	1.2
195.13916	13.3
196.14413	1.1
205.15962	0.6
221.11806	1.3
223.13336	4.0
235.08208	3.1
247.20656	1.8
253.09261	17.2
256.13144	0.9
273.18649	1.4
275.20135	5.4
277.21729	2.7
291.19666	100.0
292.20016	7.0
293.21234	82.5
294.21570	5.4
326.08417	0.6
397.08850	0.6
527.28693	6.5
528.29047	1.0
529.29950	1.1
567.40234	0.8
669.22491	0.6
803.43597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01393	1.5
71.40545	1.2
79.95755	2.0
81.03455	12.7
83.01373	2.9
85.43406	1.3
90.93907	1.3
93.03458	2.8
95.05038	4.5
97.02951	2.4
98.19842	3.1
99.04517	9.2
109.02950	6.4
123.04518	6.1
125.02453	28.1
133.02991	10.1
137.02419	5.0
139.04022	3.1
145.03011	1.6
149.02347	1.4
153.01985	1.4
161.02440	1.6
163.04030	3.7
167.03506	100.0
168.03836	4.1
172.08337	1.5
173.04561	8.8
177.01950	4.0
179.03537	1.6
190.89964	1.3
191.03558	1.6
191.05701	2.6
193.01393	4.2
193.05118	2.2
197.04547	14.5
209.04567	2.7
225.08052	3.5
235.02451	16.0
265.03540	2.9
287.07645	6.8
321.03821	2.0
337.09204	2.2
345.01938	3.1
345.06146	57.8
346.06519	5.3
355.06793	2.7
375.07272	5.2
376.07156	1.7
447.09271	2.1
465.10440	21.0
466.10977	3.3
631.73810	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	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75652	0.2
59.01380	0.4
60.05101	0.2
61.98830	100.0
63.81725	0.1
69.19154	1.0
69.19586	0.6
72.99300	0.2
77.31158	0.2
78.95914	0.3
80.96516	0.3
81.43719	0.2
86.93168	0.2
88.98830	0.5
96.96001	0.3
98.20715	0.3
108.90582	0.2
186.36226	0.2
277.21881	0.4
281.49438	0.2
407.53821	0.2
552.49268	0.2
673.99152	0.2
739.42810	0.6
802.38477	0.4
803.39673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.31009	0.1
61.98831	100.0
62.98534	0.1
69.79070	0.2
69.79478	0.4
98.20026	0.3
138.23906	0.1
211.13467	0.3
212.13823	0.3
213.13953	0.2
274.41498	0.1
277.21753	0.4
278.22110	0.3
279.22641	0.1
297.01508	0.1
540.83624	0.1
591.49585	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	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98830	100.0
63.57647	0.2
78.91914	0.3
78.95917	0.3
80.96517	0.3
98.20658	0.4
99.00936	0.2
106.21519	0.2
116.92878	0.4
136.21475	0.2
196.36041	0.2
204.74565	0.2
207.10220	0.2
225.11292	0.3
229.08670	0.2
276.17612	0.2
277.21722	0.3
335.39105	0.2
488.79016	0.2
739.43628	0.5
802.38190	0.3
803.39288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98831	100.0
62.98536	0.2
68.28155	0.1
72.64989	0.1
78.91903	0.2
80.96539	0.2
88.98819	0.3
89.02489	0.2
98.20654	0.4
178.30443	0.2
218.93330	0.1
277.21710	0.2
289.17920	0.1
485.85980	0.1
739.42871	0.2
766.89075	0.2
802.48425	0.1
803.39624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98516	0.2
63.93871	0.2
63.99267	0.6
69.17625	0.7
69.18043	1.7
72.59061	0.2
78.95900	0.2
78.98591	0.3
79.95752	0.7
80.96510	2.5
94.98107	0.8
95.01422	0.2
95.33212	0.2
98.04092	0.2
98.20660	0.5
111.08165	0.4
123.04498	0.3
125.02422	1.2
137.02444	0.4
151.04037	0.7
161.02550	0.3
164.98645	0.4
197.11888	0.7
198.12164	0.4
211.13426	0.2
225.00763	1.0
253.05455	0.3
253.09331	0.4
273.17090	2.1
274.17410	1.2
289.07150	1.1
291.19748	0.4
292.20218	0.5
293.21149	0.3
309.20886	0.5
310.21304	0.4
565.95361	0.3
803.39069	4.0
803.53094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
61.98832	100.0
62.98542	0.7
63.99273	1.0
68.96368	0.4
71.01379	3.7
73.02953	1.2
74.28491	0.4
75.84875	0.4
80.25791	0.4
80.91673	2.6
80.96543	0.5
83.01379	0.5
83.05021	0.5
84.47974	0.5
85.02958	1.1
87.00890	0.8
89.02473	1.1
97.06625	0.7
101.02435	3.2
102.04780	0.9
113.02482	1.7
115.05571	1.6
117.07108	32.4
118.07487	1.0
119.05021	0.7
119.08691	1.3
125.09726	6.1
129.35881	0.4
135.08154	3.8
145.05116	0.7
161.04533	1.5
176.74869	0.5
185.11801	0.7
209.11880	2.0
225.16539	0.5
235.08299	1.6
235.13423	0.6
243.17703	0.7
253.09247	3.2
254.09731	0.5
255.23439	1.2
269.15555	3.0
270.15823	0.6
277.18466	1.8
277.21722	44.7
278.22131	3.5
287.16556	14.1
287.19592	0.9
288.16864	0.9
289.18219	0.7
305.17484	4.8
306.17877	0.6
327.21866	0.9
469.80154	0.6
505.24615	0.8
523.25873	1.0
541.26764	1.0
783.46875	52.9
784.47314	11.1
784.60773	0.7
801.48303	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	801.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.43073	0.6
59.01381	7.1
61.98830	38.9
69.03463	1.5
71.01386	6.8
71.50343	1.2
72.99303	1.1
73.02937	1.6
80.91679	3.6
80.96487	1.3
83.01392	0.9
85.02940	1.3
87.00875	0.9
89.02427	3.7
93.03468	1.2
95.05030	3.2
97.06573	2.4
99.00851	1.3
101.02440	6.5
102.04731	2.7
107.29413	0.7
113.02444	2.3
115.05511	4.2
117.07107	84.2
118.07464	4.2
119.03513	0.8
119.05000	1.2
119.08623	2.0
123.08114	1.2
125.08820	1.1
125.09723	14.8
129.07027	0.8
133.06577	0.8
135.08150	7.7
135.31424	0.7
161.04520	1.0
162.05469	0.7
185.11795	1.7
209.11833	6.2
210.84962	0.7
211.13358	1.9
212.13652	0.9
225.16603	1.9
235.13374	1.6
243.17622	0.8
250.20908	0.9
253.09296	2.9
269.15454	4.8
277.18149	4.6
277.21695	43.0
278.22076	4.9
287.16528	45.5
288.16800	4.7
305.17563	14.0
306.17865	1.2
343.54462	0.9
505.24509	1.4
523.25537	8.2
541.26611	3.2
623.43304	1.7
656.16852	0.8
783.46863	100.0
784.47192	27.0
784.58179	0.6
801.49561	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	800.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98829	100.0
69.60262	0.4
69.60686	0.8
71.01395	0.3
78.91903	0.5
80.91701	0.6
80.96518	0.4
85.02975	0.2
101.02483	0.2
110.43002	0.2
117.07109	1.0
125.09752	0.3
129.56934	0.2
211.13390	0.3
221.68781	0.2
241.14508	0.5
242.14781	0.4
252.23103	0.2
253.09244	0.4
255.23460	0.4
277.21725	3.1
278.22119	0.6
287.16626	0.8
305.17639	0.6
695.91718	0.2
783.47021	2.9
823.85480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.1
59.01377	3.8
67.01871	1.8
67.37498	0.7
71.01380	3.4
71.52618	1.0
72.99319	0.8
73.02962	0.6
80.47398	0.8
83.01366	1.0
85.02945	5.6
87.00865	1.4
90.42304	0.7
93.03465	8.7
97.02941	1.3
101.02447	0.7
104.23051	0.8
105.03483	1.3
108.02265	0.9
109.02965	5.6
111.04532	2.0
113.02420	1.6
119.05019	1.0
121.02950	2.4
123.04497	1.6
125.02457	6.5
133.02942	13.8
134.03740	1.2
135.04521	18.6
136.04865	0.9
137.02454	3.9
147.04524	1.7
149.02380	1.7
151.03961	2.0
155.03484	1.7
161.02448	4.4
163.00368	1.8
163.04044	3.6
164.01057	0.7
165.01926	2.4
173.04539	26.7
173.06055	1.4
174.04883	1.5
175.04004	3.4
177.01918	3.5
179.03499	16.3
180.03836	1.4
191.03735	1.7
191.05591	23.5
192.05930	1.8
193.01414	2.1
199.03996	2.1
201.01895	2.4
203.03445	1.1
213.05548	1.2
215.03499	1.3
217.05045	0.8
227.06908	0.9
240.04282	0.8
241.04941	1.7
243.02979	1.7
245.01161	1.0
253.05286	0.8
255.02992	1.1
255.06584	1.3
257.04404	0.8
265.04987	0.9
269.04651	1.7
284.03220	8.5
285.04004	8.7
286.04407	0.8
289.07147	2.3
297.04016	17.1
298.04712	8.0
299.05579	16.4
300.06021	1.0
309.03860	1.4
311.05521	3.2
323.05670	1.8
324.02777	1.0
325.03497	1.3
327.05069	100.0
328.05463	9.3
337.02908	0.8
339.05014	4.0
341.06442	1.6
353.08929	20.1
354.08911	0.9
357.06131	28.1
358.06488	2.6
365.06335	0.8
369.06107	2.2
379.04581	3.4
383.07681	1.3
393.06134	1.1
409.05264	1.0
447.09286	93.6
448.09595	11.5
449.09656	1.0
489.07986	1.4
499.08911	4.4
609.12421	29.5
610.12885	4.2
756.18201	1.0
774.97595	0.9
801.37213	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	800.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01385	0.2
61.98830	100.0
70.64732	0.5
71.01387	0.2
71.67043	0.2
83.01418	0.2
98.53065	0.1
109.02995	0.4
121.02932	0.2
123.04528	0.6
125.02462	1.3
137.02507	0.4
149.02417	1.0
151.04004	1.1
161.02487	0.6
170.69983	0.1
197.11848	0.6
203.07248	0.2
209.11852	2.1
210.12105	0.8
211.13545	0.2
253.09377	0.4
254.09610	0.2
273.16992	1.1
277.21887	0.3
287.05746	0.3
289.07196	1.4
291.19763	0.2
293.21130	0.8
294.21710	0.4
309.20636	0.4
401.08716	0.1
454.93823	0.2
510.29623	0.1
548.20514	0.2
617.78992	0.1
659.15967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.3
59.01374	4.5
61.73924	1.1
61.98830	100.0
69.03455	2.1
69.19182	1.1
69.37605	2.7
69.38004	6.6
71.01389	4.1
71.05017	2.1
75.00871	2.7
78.95913	1.4
79.44537	1.2
80.96524	1.8
85.88439	1.1
88.11742	1.1
89.02437	2.2
101.02441	2.3
161.09761	2.0
161.21674	1.2
179.10745	2.1
197.11816	41.4
198.12126	3.2
253.09207	1.6
277.21780	12.7
305.41211	1.3
520.82922	1.3
737.41235	56.9
737.54364	2.7
738.41516	15.9
801.37671	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	800.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	4.8
61.98833	88.3
69.03452	4.4
70.35979	4.3
70.36375	3.8
71.01370	3.9
78.95885	2.3
80.96517	4.5
88.98827	5.8
89.02475	2.5
101.02427	2.4
111.04603	1.8
125.09743	2.7
128.23962	2.1
151.11258	3.0
161.09694	4.8
165.22707	2.0
179.10732	6.2
182.01337	1.9
186.74179	2.0
197.11833	34.5
198.12198	2.5
209.11905	2.6
241.10678	1.9
277.21725	51.9
278.22113	4.6
396.03024	2.4
407.00278	2.1
604.68756	2.0
737.41138	100.0
738.41547	23.4
800.44299	6.0
801.37762	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	800.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94522	0.1
59.01376	0.1
61.98831	100.0
62.98528	0.2
65.32780	0.1
70.47770	0.1
70.48116	0.3
85.02975	0.1
87.90378	0.1
107.93449	0.1
234.97177	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	799.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.8
61.98843	1.7
69.03446	0.4
71.01373	2.1
71.27802	0.6
72.53965	0.3
73.02958	0.6
80.96523	0.4
83.05022	0.6
85.02972	0.7
89.02464	1.8
93.17418	0.3
101.02431	1.9
113.02454	1.4
119.03479	0.6
121.43900	0.3
124.44823	0.3
161.04582	0.8
167.14439	0.8
179.05623	0.6
183.13913	5.8
184.14212	0.6
193.12402	1.3
211.13388	100.0
212.13742	6.1
235.08183	2.3
253.09314	6.4
277.21719	57.7
278.22055	5.7
390.21741	0.4
429.21320	1.5
447.22324	8.3
448.22794	0.7
513.30933	0.4
707.43231	0.5
744.98242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3767
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.03444	1.7
58.00586	1.5
59.01376	30.4
61.98831	75.5
65.03957	3.7
67.97085	1.1
69.03454	4.5
70.92789	2.8
71.01382	24.7
72.99300	3.1
73.02946	4.6
81.03445	1.9
83.01391	4.4
83.05016	1.8
85.02945	7.3
87.00872	6.4
88.98814	4.1
89.02450	15.5
91.05524	2.6
93.03441	1.6
95.01340	1.5
95.05028	2.7
97.02959	3.9
97.06574	2.9
99.00894	1.9
101.02429	13.7
104.01266	1.3
113.02431	6.1
115.05533	2.8
119.03480	3.5
119.05021	1.3
123.04514	1.2
123.08167	1.3
125.02433	5.4
125.09724	12.5
131.03566	1.4
149.02428	1.2
151.03920	1.4
161.04529	2.5
179.05606	4.4
185.11815	3.0
187.14905	9.0
209.11795	9.3
213.12819	5.1
221.06635	5.0
231.13863	17.9
233.11873	1.7
233.15277	2.0
235.08150	1.6
249.15002	2.5
259.84665	1.2
289.07178	2.0
328.58981	1.2
351.38351	1.3
357.24103	2.0
365.20911	2.1
383.22290	11.4
384.22635	1.4
397.13333	4.3
401.23260	13.2
419.24377	4.4
480.55106	1.3
503.19269	1.3
505.76099	1.6
619.50824	1.2
739.35992	1.5
754.02466	1.2
781.36475	100.0
782.36823	17.6
799.37329	17.6
800.37592	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	798.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66538	0.1
61.98830	100.0
62.98543	0.1
69.36447	0.4
69.36851	0.2
72.99313	0.1
78.59084	0.1
79.82729	0.1
90.33727	0.1
119.81992	0.1
147.51297	0.1
152.81834	0.1
200.29965	0.1
209.11977	0.1
224.13672	0.1
273.17249	0.1
277.21674	0.1
293.02106	0.1
294.08121	0.1
294.21664	0.1
307.09195	0.1
366.47119	0.1
385.97604	0.1
744.24512	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41072	0.2
58.59844	0.2
58.85648	0.2
59.01381	0.5
61.98831	100.0
62.59923	0.2
62.98524	0.2
71.06213	0.2
74.70857	0.2
75.00909	0.3
78.28778	0.2
81.82486	0.2
82.74787	0.2
97.20745	0.2
118.40604	0.2
161.02626	0.2
209.11807	1.8
210.12260	0.5
211.13423	0.5
273.17142	1.0
289.07123	0.3
289.18149	0.4
291.19760	0.9
292.20074	0.8
293.21201	0.2
307.19199	0.5
420.27396	0.2
667.24646	0.3
799.46136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.6
61.98831	10.3
63.99261	0.4
69.61600	1.9
69.62008	0.6
71.01376	2.9
73.02967	0.5
75.00899	0.8
78.98589	0.9
79.95741	1.0
80.96517	6.7
80.96964	0.5
85.02971	1.0
87.00903	0.7
89.02454	2.3
94.98114	1.2
98.20619	0.8
101.02429	2.6
113.02454	1.1
119.03526	0.6
125.02435	0.5
136.99171	0.3
144.30617	0.4
148.99136	0.7
161.04591	1.1
164.98630	1.2
179.05640	0.6
206.99687	0.5
212.78128	0.3
216.91188	0.4
223.94243	0.4
225.00752	1.3
235.08273	3.1
241.14447	100.0
242.14804	6.5
253.09279	7.6
255.23277	0.5
277.21710	95.1
278.22070	10.5
294.45758	0.4
477.23499	0.9
513.30701	0.9
797.43506	8.2
798.43939	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	797.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01366	0.8
61.98839	1.1
63.96241	1.8
69.03433	0.6
71.01391	8.2
71.38267	0.7
71.38605	0.5
73.02951	1.7
78.95883	0.7
78.98591	6.8
79.95737	15.1
80.96518	82.8
81.03468	1.1
83.01381	0.5
85.02956	3.9
87.00883	3.6
90.92923	0.5
94.98090	17.4
96.96016	1.7
97.02962	1.8
99.00903	0.9
101.02438	2.3
102.21107	0.5
106.98106	3.5
122.52895	0.4
122.97593	3.6
125.02462	3.6
127.03986	0.7
134.97598	5.8
136.99149	1.3
148.99141	7.7
152.98654	6.8
164.98627	13.0
206.99724	3.0
209.11868	1.5
225.00743	23.2
226.01059	0.8
255.23309	1.8
256.23648	0.5
410.68866	0.4
415.29630	0.5
453.68460	0.5
475.97458	0.5
509.17169	0.6
537.27509	1.4
541.19586	2.6
702.92316	0.5
756.33167	0.5
797.43591	100.0
798.43915	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	797.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.3
61.98835	32.7
69.15536	4.3
71.01385	9.0
73.06570	3.6
89.02480	4.4
96.96111	4.2
97.02955	8.2
98.20659	10.7
99.00921	10.9
123.04576	6.7
125.02446	9.9
163.11320	5.7
171.10291	6.7
181.12332	17.7
195.13930	8.9
207.10275	39.3
209.11751	11.9
217.37997	4.2
223.13409	5.4
225.11327	100.0
226.11542	4.9
229.00801	5.5
243.12422	15.5
253.09264	10.8
275.20157	6.7
289.07257	11.1
291.19528	12.4
293.21249	73.0
294.21329	5.5
461.20395	44.5
621.32336	6.8
737.41083	36.4
738.41302	13.0
795.04962	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	796.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.92708	0.2
70.36326	0.3
70.36681	0.7
71.01400	0.3
78.98598	0.3
79.95732	0.6
80.96521	3.6
91.85101	0.2
92.75186	0.2
94.98096	1.1
116.92822	0.2
122.97620	0.2
134.97569	0.4
164.98657	0.5
200.66862	0.2
225.00815	1.0
241.14496	0.5
246.61287	0.2
277.08389	0.2
277.21716	0.4
283.64398	0.2
377.85855	0.3
541.19397	0.3
796.42725	0.4
797.43475	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	796.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98538	0.2
67.43344	0.1
72.99294	0.2
109.03029	0.1
130.44252	0.1
160.28683	0.1
171.10242	0.1
187.37508	0.1
206.72502	0.1
209.11905	0.2
223.13393	0.2
277.21768	0.2
287.92416	0.1
291.19702	0.2
308.26013	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.00072	78.0
74.79691	19.0
120.92120	22.4
122.97573	50.2
126.31214	19.1
351.16513	22.0
369.85858	20.9
799.13367	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	795.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98835	0.2
71.01385	0.2
71.52825	0.2
72.99278	0.1
73.02946	7.3
75.00856	0.2
85.02971	0.1
87.00898	0.3
89.02386	0.1
96.96044	0.1
99.00867	1.2
99.92584	8.7
100.92605	0.5
100.93214	0.1
113.02435	0.2
114.93430	0.5
116.92860	100.0
117.01936	13.8
117.92870	4.7
118.02249	0.2
126.70763	0.1
137.02480	0.1
161.02469	0.1
177.01991	0.2
323.09247	0.1
351.64645	0.1
519.77344	0.1
677.50464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.4
59.01383	14.2
61.02070	0.9
61.98832	8.8
69.03458	1.8
69.25577	6.8
71.01380	4.7
72.99326	1.0
75.71979	1.2
78.95860	1.0
83.05042	1.6
85.02941	2.7
87.00891	1.4
89.02447	3.7
95.05035	1.3
101.02444	2.7
106.97182	2.3
111.08190	6.3
113.02427	2.0
119.03492	1.1
125.02485	1.8
148.62511	1.0
149.09749	1.6
151.11176	1.0
158.92230	1.1
159.81317	1.1
161.04605	1.3
167.10713	4.1
171.10242	6.2
177.12750	1.6
179.10823	2.3
179.14394	2.7
185.11809	1.4
185.21967	1.0
195.13913	12.9
205.12331	8.2
209.11751	1.2
213.11258	1.4
215.12856	1.3
223.13387	86.0
224.13728	5.7
225.11343	1.8
235.08203	6.1
247.20667	1.1
251.13025	1.0
253.09259	9.4
273.18665	1.8
277.21698	16.6
278.22015	2.1
291.19659	100.0
292.20044	10.7
459.22354	11.8
460.22867	1.5
509.27524	1.9
527.28717	11.2
528.29266	2.0
595.30804	1.3
698.31342	1.1
701.25702	1.1
715.40558	1.4
721.41492	1.6
733.41644	3.5
761.41156	2.5
777.90723	1.2
793.44196	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48342	7.2
59.01369	30.3
59.02653	7.4
60.99306	22.2
61.98832	100.0
71.01376	11.7
71.51421	12.0
80.96492	13.4
88.98818	90.0
89.02441	17.7
96.96021	8.6
101.02483	8.2
113.26131	7.7
123.04518	8.8
125.02409	15.6
137.39070	9.6
151.03947	16.1
161.02376	12.0
168.35872	9.9
201.11281	39.8
209.11852	64.3
211.13332	12.2
227.12863	27.0
241.14455	82.2
253.09132	48.9
273.17017	82.8
275.19812	10.7
289.07040	19.9
291.19742	26.1
293.21240	86.4
529.30035	11.5
555.25079	8.7
793.40521	31.3
794.41064	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	793.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.4
61.98550	2.2
61.98824	11.7
68.69568	1.6
71.01383	6.6
73.18360	1.5
83.01405	1.9
89.02457	1.7
97.02960	2.1
98.20733	3.4
101.02455	2.7
125.02432	4.4
125.09612	1.8
136.67453	1.7
145.05019	2.1
152.71826	1.7
163.73030	1.8
171.10265	53.9
172.10643	2.0
173.04514	1.8
185.11798	2.7
199.09705	2.2
201.41209	1.4
207.10226	6.2
209.11835	2.0
225.11319	22.5
235.08180	9.6
253.09285	11.8
255.23358	2.4
277.21704	100.0
278.22015	9.2
367.54736	1.7
407.19467	2.5
443.19238	5.7
461.20126	5.0
721.41785	8.1
775.40326	2.1
793.42999	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98829	0.9
67.17452	0.1
69.59518	0.8
71.01377	0.3
73.02945	6.5
75.00877	0.4
89.02443	0.2
98.20708	0.3
99.00874	1.2
99.92585	11.8
100.92606	0.4
113.88112	0.1
114.93425	0.5
115.00352	0.2
116.03515	0.2
116.92863	100.0
116.97236	3.2
117.01938	11.0
117.05546	0.3
117.92871	4.7
177.12602	0.1
185.06891	0.1
188.12164	0.1
197.11771	0.1
230.13898	0.1
291.19794	0.1
293.21213	0.1
302.42764	0.1
335.17688	0.4
397.13287	0.2
437.56680	0.1
477.98825	0.1
562.97430	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	791.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71214	6.4
61.98532	11.3
61.98832	100.0
65.66450	5.8
71.41166	6.8
71.51691	9.0
73.61200	6.4
84.81580	6.4
101.02444	8.3
107.72118	7.2
125.02461	7.3
161.02425	7.0
178.75810	8.5
193.83214	7.8
211.13422	15.4
223.40741	7.1
239.77896	7.0
259.97360	8.4
277.21695	16.7
293.21399	10.2
322.72086	6.4
361.04614	7.9
475.93936	7.3
599.79852	7.5
791.41693	14.0
801.60583	10.3
811.56378	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	791.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96347	5.1
59.01392	8.0
59.95792	5.0
61.98827	100.0
64.02021	5.6
65.73507	5.0
70.52174	4.7
72.41190	5.0
78.52659	4.7
78.95898	8.1
82.29849	5.0
97.97271	5.1
99.52475	4.7
106.93798	4.5
109.00304	5.4
131.14081	5.2
147.00967	4.3
179.96025	4.7
200.07457	4.9
209.11668	5.6
226.25490	5.0
229.60072	5.9
253.21747	8.5
259.15497	19.8
277.21777	17.0
279.23242	14.8
280.23825	9.2
791.42487	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	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	64.0
65.76913	9.5
69.11073	10.2
70.82288	13.1
70.82629	28.2
75.22794	9.9
76.78940	10.8
78.49390	10.9
97.95527	10.5
119.98064	11.4
132.94202	9.7
209.11847	100.0
227.12856	21.9
228.18752	11.6
253.09171	12.2
277.21664	63.4
278.50104	12.8
279.46127	12.2
304.77884	10.8
386.35614	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	791.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.1
59.12069	1.2
61.98830	39.1
63.96236	1.7
69.34323	1.7
69.34729	9.5
71.01376	11.9
73.02937	3.0
78.95908	8.5
78.98612	6.7
79.95737	16.0
80.96518	100.0
81.03956	1.3
85.02918	4.0
87.00861	3.5
91.04395	1.4
94.97512	1.4
94.98080	23.2
95.76860	1.2
96.95966	1.5
99.44455	1.4
101.02396	2.7
102.83189	1.3
106.98038	3.4
122.97523	4.9
125.02425	3.3
125.04163	1.3
134.97595	8.8
141.05849	1.5
148.99135	8.1
152.98546	6.5
152.99567	5.4
164.97572	1.2
164.98610	14.3
183.13708	3.5
206.99574	2.6
209.11703	4.0
224.98740	1.5
225.00742	24.3
255.23164	5.7
262.17252	1.4
281.24670	2.1
311.16388	1.8
555.25555	3.2
729.43500	1.9
791.42053	91.0
792.42377	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	791.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.6
61.52085	11.0
61.98829	100.0
71.51270	16.5
76.55727	10.0
78.95911	14.7
80.19394	9.9
90.15758	10.8
123.04573	15.2
125.02434	23.5
172.37448	11.1
197.11809	16.8
209.11699	13.4
235.76566	10.9
277.21695	41.1
289.07175	16.8
343.94614	11.2
492.92239	11.7
791.39807	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	791.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90676	3.9
59.01391	5.7
61.67138	3.7
61.98537	6.7
61.98830	100.0
63.36863	3.7
63.39239	3.6
74.93758	4.3
75.00867	12.1
77.79672	4.1
88.98830	6.1
99.92562	8.7
116.40683	3.9
116.92867	33.4
136.49101	4.2
171.10085	4.2
197.11795	4.4
201.11316	7.5
209.11781	30.5
227.12920	10.5
235.08165	8.5
253.09271	4.8
291.19696	28.5
309.20514	5.4
327.21820	5.6
437.20303	5.6
527.28851	9.2
791.39514	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	788.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58396	0.1
55.58672	0.1
58.09013	0.2
61.06496	0.2
61.98830	100.0
62.98512	0.2
66.62083	0.2
71.01380	0.2
78.95899	0.2
78.98642	0.2
79.95737	0.2
80.96514	1.1
94.98093	0.2
98.19855	0.3
112.84518	0.1
149.87555	0.2
178.44945	0.2
197.11909	0.2
225.00807	0.3
229.27657	0.2
295.70248	0.1
677.21741	0.2
776.42487	0.2
788.40106	0.6
789.41119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44597	0.2
59.01366	0.2
61.98831	100.0
62.98533	0.3
63.99260	0.7
68.72493	0.1
70.99445	0.3
71.01411	0.2
78.95923	0.5
79.95766	0.2
80.96509	0.8
91.84966	0.2
93.16134	0.2
94.98050	0.2
108.55959	0.2
171.10350	0.2
196.72729	0.1
211.13406	0.2
277.21643	0.3
279.23303	2.2
329.23160	0.2
477.34232	0.2
571.14050	0.2
709.75830	0.2
788.38245	0.8
788.52020	1.2
789.52618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98549	0.2
63.99247	0.3
71.50999	0.3
77.91328	0.1
78.95904	0.4
80.96541	0.5
86.39076	0.2
97.41084	0.2
111.16124	0.1
161.96889	0.1
209.11861	0.3
277.21774	0.2
279.23169	0.9
381.84830	0.2
439.14142	0.1
442.15820	0.2
788.40002	0.5
788.52258	0.3
789.41132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.1
59.01379	17.5
61.23460	2.4
61.98823	11.8
69.55994	8.8
69.56422	8.1
71.01385	19.8
72.99309	5.1
75.00868	21.5
85.02959	30.3
87.00902	7.6
95.01421	4.2
98.19983	4.2
99.00893	8.8
113.02450	31.3
117.01914	4.8
175.02454	5.0
208.56589	2.9
277.21713	87.8
278.22031	8.8
401.98932	2.8
527.28589	7.5
787.50061	100.0
788.50067	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	787.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.8
59.01104	0.8
59.01380	8.8
61.87720	0.7
61.98829	63.2
68.99553	1.0
69.03445	4.1
71.01379	7.6
71.05007	2.2
71.42078	1.3
72.99297	0.8
73.02941	1.8
78.91867	1.1
80.91673	1.3
81.03431	1.3
82.95413	2.5
83.01375	1.4
83.05040	1.3
84.13111	0.6
85.02955	4.6
87.00862	1.6
88.97144	0.6
89.02448	4.1
93.03463	0.7
95.01375	0.8
95.05002	1.0
96.96002	2.1
97.02948	1.4
97.06599	3.7
99.00863	1.6
101.02448	4.8
109.06602	0.9
113.02423	2.4
119.03467	1.1
123.08147	2.0
125.02384	0.7
125.09747	3.4
127.11273	1.4
137.02480	0.7
137.09689	1.0
141.12793	0.7
151.11316	3.8
153.12833	2.4
155.10751	0.8
161.04507	1.6
161.09697	3.6
163.11324	1.0
165.12808	1.0
169.67133	0.8
171.10295	8.5
179.10767	6.0
183.13831	2.5
185.11772	1.4
193.05046	0.7
193.12296	1.4
195.10524	0.7
197.11821	59.3
198.12175	4.0
201.11322	1.0
207.10109	1.3
209.11867	4.3
211.13396	16.5
221.11748	2.1
223.09689	1.2
225.11288	0.9
227.12999	1.1
229.14421	10.1
235.08202	1.1
239.12878	2.1
241.10809	3.3
244.61295	0.8
253.09299	3.6
291.19669	3.9
309.20612	1.6
327.21756	17.3
328.22150	1.0
330.06647	0.8
433.41251	0.7
773.11243	0.8
787.41174	100.0
788.41486	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	787.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01385	2.1
61.47611	1.8
61.98832	100.0
63.00513	1.7
63.78910	1.9
71.50649	2.3
83.01381	3.0
109.02959	2.3
123.04555	4.2
125.02437	8.1
136.60736	1.7
137.02432	4.5
151.03990	7.2
152.04314	2.3
185.39156	1.8
188.00441	1.9
197.11832	3.9
205.05209	2.7
223.13409	7.4
237.51129	2.1
267.34647	2.1
289.07202	11.9
290.07584	3.7
309.20782	7.3
408.29977	2.0
443.68112	2.0
787.39734	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	787.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03445	4.0
58.00576	1.3
59.01109	1.5
59.01385	24.5
61.98839	6.1
69.03448	2.3
71.01007	1.7
71.01390	24.1
72.99323	8.8
73.02947	3.2
75.00884	13.7
81.03445	2.5
83.01381	3.8
83.05009	1.6
85.02953	28.3
86.03293	1.5
87.00899	6.9
88.98804	2.6
89.02460	6.6
93.03468	9.1
95.01395	5.6
95.05042	1.1
96.96009	1.3
97.02981	1.1
98.20691	1.8
99.00915	8.1
99.04543	1.5
101.02438	6.6
101.38219	1.2
107.01431	1.1
109.02926	5.0
111.04492	2.3
113.02455	16.3
115.00397	2.3
117.01936	1.9
117.03481	1.3
119.03513	1.3
119.05038	3.7
123.04507	2.2
125.02455	5.5
127.04032	1.9
133.03015	1.2
135.03627	1.8
135.04536	21.1
136.04865	2.0
137.02466	2.2
145.03000	1.4
149.02435	1.5
151.00394	4.2
151.04034	1.6
161.02460	3.2
167.03474	4.3
171.10228	1.2
173.04575	11.3
174.04942	3.0
175.02516	1.8
177.01941	3.8
179.03532	7.7
180.03857	1.5
191.05627	73.4
192.05975	3.2
202.99876	5.6
236.29764	1.2
245.08353	1.2
249.06226	7.1
282.04849	1.2
283.06149	1.3
284.06235	2.3
285.06821	1.1
289.07196	1.9
297.04062	2.8
311.05554	4.8
312.05975	5.8
313.06470	1.3
323.05573	5.8
329.23355	2.2
339.05066	1.9
341.06799	2.0
353.08823	3.8
354.08942	3.0
355.09283	1.4
357.26422	3.2
375.27484	15.4
376.27789	2.1
431.09872	2.4
432.10138	2.9
433.09360	13.2
434.09702	2.1
457.22177	1.1
503.09940	1.5
519.31879	2.2
537.32837	23.2
538.33295	3.5
595.14514	7.1
596.15161	2.7
613.14783	3.6
689.19550	1.7
691.20544	1.2
696.98151	1.2
787.39758	100.0
788.39960	17.5
807.57080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74823	2.7
59.01367	13.4
60.96366	3.0
61.98833	100.0
68.99568	4.8
69.20200	25.7
69.20605	4.4
71.01381	10.1
73.02952	2.7
84.16556	3.1
85.02951	3.7
88.98817	4.5
89.02430	4.4
96.96025	27.7
96.96957	5.3
107.50425	3.0
112.98555	4.9
113.02461	4.2
116.92865	9.2
119.97894	3.4
125.02481	5.3
145.43172	3.2
147.34476	2.9
155.10786	3.6
171.10289	7.7
183.10271	3.4
183.13811	9.5
195.10231	9.8
197.11797	6.0
198.86705	3.3
201.11382	7.4
209.11826	22.8
211.13383	24.6
215.12822	6.4
222.12068	3.4
227.12930	8.5
235.08284	4.8
241.14296	3.9
253.09384	6.1
273.17035	12.4
309.20364	4.4
311.71298	3.4
327.21625	3.7
341.23376	4.1
397.13434	6.9
453.88678	4.2
457.26877	3.5
586.05774	4.0
787.40631	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	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
59.28661	0.1
61.98830	100.0
62.98527	0.2
63.99268	0.3
76.99606	0.1
80.96541	0.3
162.19476	0.1
164.53163	0.1
197.11728	0.2
209.11890	0.3
210.12189	0.3
211.12096	0.1
277.21814	0.4
278.22153	0.3
592.34955	0.1
787.39587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64285	0.1
58.81406	0.1
61.98830	100.0
62.98537	0.1
63.95071	0.1
80.96528	0.5
147.66113	0.1
209.11903	0.3
255.37140	0.1
275.10056	0.1
277.21747	0.4
278.22067	0.3
444.15967	0.1
787.39655	0.4
789.33221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98546	0.2
63.74094	0.1
70.37730	0.3
78.95908	0.2
109.53362	0.1
110.44003	0.1
170.18718	0.1
227.13022	0.3
228.13300	0.3
277.21704	0.8
278.22070	0.3
329.23434	0.1
463.79391	0.1
548.70874	0.1
786.49799	0.4
787.39435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98830	100.0
62.99255	0.1
66.65811	0.1
68.89056	0.1
71.01379	0.3
73.02941	0.1
78.40804	0.1
83.05064	0.1
85.02953	0.2
87.57718	0.1
88.98810	0.2
89.02459	0.2
96.96003	0.2
98.20682	0.2
100.49605	0.1
100.86942	0.1
109.02982	0.1
113.02377	0.1
114.99500	0.1
115.00327	0.1
116.92862	0.5
123.04540	0.2
125.02454	0.2
134.03812	0.2
135.04543	0.1
137.02454	0.3
149.02483	0.1
150.03267	0.2
151.04036	0.1
161.02415	0.1
165.05586	0.1
191.05876	0.1
205.05060	0.1
215.43114	0.1
285.04376	0.1
289.07288	0.3
505.76950	0.1
786.38446	0.2
787.39191	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52661	0.4
58.00602	0.5
59.01070	0.6
59.01382	18.1
61.98834	19.9
69.03453	0.6
71.01386	2.9
71.19530	0.9
72.99313	2.0
73.02947	1.0
76.19833	0.5
77.44862	0.5
80.96517	2.6
82.96116	1.0
83.01385	0.6
85.02961	1.3
87.00889	1.1
88.98812	0.8
89.02454	1.9
90.20157	0.4
101.02455	3.1
112.17345	0.5
113.02461	1.9
118.73260	0.4
127.22383	0.5
153.12924	0.9
161.04601	0.6
164.98654	0.6
169.12347	3.9
179.10681	0.5
197.11835	84.7
198.12160	4.8
209.11832	1.9
235.08237	5.7
241.14636	0.5
248.54993	0.5
253.09315	8.4
255.23387	0.6
277.21719	100.0
278.22043	9.0
279.23340	1.1
281.24826	0.6
289.16553	1.2
310.91608	0.5
410.77689	0.6
415.19647	1.7
433.20663	4.1
513.30585	2.6
635.59119	0.5
778.74835	0.6
785.42072	3.9
818.04156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19928	0.4
57.60754	0.4
58.01988	0.5
59.01383	15.5
61.98832	6.6
63.32282	0.4
71.01385	1.9
71.19336	0.6
73.02991	0.5
76.24879	0.4
80.96524	0.9
82.96069	0.6
85.02948	0.9
89.02448	1.3
101.02458	1.5
113.02471	0.9
119.03502	0.6
139.74063	0.4
153.12865	1.2
161.04553	0.7
167.95682	0.4
169.12325	5.4
179.10780	0.6
181.49457	0.4
197.11830	100.0
198.12183	5.7
203.60376	0.4
235.08273	1.6
253.09273	6.0
255.23392	0.5
277.21722	54.7
278.22009	4.4
279.23306	0.7
295.72244	0.5
415.19836	2.3
433.20813	9.3
434.21313	1.0
474.06531	0.4
513.30426	0.6
649.21234	0.5
693.42346	0.6
785.42072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.0
59.01381	8.4
61.98830	54.2
62.00319	1.4
70.58466	2.9
70.58850	3.3
71.01376	3.8
72.99300	2.6
78.95899	1.7
80.96512	1.7
82.64310	1.4
83.01414	2.0
89.02471	3.5
89.97982	1.8
101.02439	4.3
101.38429	1.5
109.02921	3.3
113.02454	1.8
123.04500	7.9
125.02436	12.3
132.67462	1.4
137.02425	3.4
138.03761	1.4
141.27725	1.4
151.04025	11.3
152.04245	1.5
161.02402	3.9
161.04510	3.3
163.87802	1.5
165.01907	1.4
171.10292	3.6
191.10788	2.3
195.13890	5.5
197.11842	3.9
203.07068	1.5
209.11792	3.9
223.13458	6.8
227.12938	3.4
235.08199	3.5
245.08206	1.8
253.09265	15.9
273.17053	100.0
274.17264	4.0
275.20175	6.6
277.21689	7.1
289.07169	10.8
293.21228	62.2
294.21524	4.1
327.18140	1.6
407.07620	2.0
434.79138	1.7
655.76477	1.8
785.39215	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	785.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.01379	9.4
61.98827	4.0
67.01894	5.1
69.03455	1.9
71.01386	8.8
71.52548	1.0
72.99282	1.2
73.02955	0.8
75.00871	1.0
77.03994	0.8
79.01880	1.0
79.16663	0.7
80.78693	0.7
81.03459	2.6
83.01390	2.8
83.05017	1.9
85.02956	13.9
87.00879	3.2
88.98830	1.3
89.02456	1.8
93.03459	30.2
94.03831	1.0
95.01379	1.5
95.05043	1.3
96.88091	0.7
96.95992	1.3
96.96975	1.0
97.02924	1.2
99.00851	1.2
99.04545	1.4
101.02462	3.4
105.03495	0.8
107.01346	2.2
107.05051	1.6
109.02947	6.0
111.00899	2.2
111.04504	6.0
113.02464	3.6
115.00363	0.8
117.03459	8.7
119.05015	2.1
121.02937	3.4
123.04522	3.6
124.01649	0.7
125.02448	7.5
127.04026	2.4
128.03510	0.7
133.02953	3.0
134.03749	4.5
135.04526	79.0
136.04851	3.3
137.02460	8.8
149.02426	6.2
151.00374	2.3
151.04012	0.9
155.03540	5.8
159.04532	2.1
161.02455	9.5
161.04547	1.3
163.00317	1.3
163.04042	3.6
165.01950	2.4
167.03503	6.6
169.55339	0.7
173.04543	100.0
174.04897	3.3
175.00377	0.9
175.02577	1.2
175.03972	1.2
177.01886	2.2
179.03496	61.5
180.03864	2.7
185.06149	0.7
189.01929	1.0
190.02631	0.8
191.03772	2.2
191.05606	67.6
192.05945	2.3
193.01427	3.9
197.04564	2.7
197.06212	0.8
199.04144	0.8
201.01996	1.2
203.03488	0.7
211.07677	0.9
227.07166	1.1
237.05595	2.6
238.06374	1.0
239.07196	1.8
241.05173	2.0
243.02948	0.9
251.07098	1.8
253.05066	0.9
253.08690	5.0
267.07062	1.0
268.03741	2.3
269.04373	4.4
279.06522	4.4
281.04495	5.8
282.05341	1.6
283.06110	39.6
284.06461	3.3
285.04108	1.0
289.07187	2.1
290.07687	1.1
293.04556	2.3
295.06107	3.3
297.04047	1.0
303.06604	1.6
307.42145	0.8
309.04178	0.7
309.07651	2.1
311.05609	71.7
312.05978	6.8
319.06030	1.0
321.07706	1.3
323.05490	6.6
327.05127	2.8
328.05692	0.9
337.07166	3.7
341.06607	14.1
342.06848	1.0
347.05331	1.2
353.08768	56.3
354.09042	4.9
357.06128	1.2
363.05020	1.8
363.08969	1.1
367.08258	1.1
429.09723	1.6
431.09802	65.7
432.09918	5.8
447.10446	6.1
473.08780	2.7
477.11609	1.2
483.09323	1.4
491.09921	1.6
567.14441	3.5
593.13019	17.8
594.13507	2.5
611.14154	6.0
665.15063	10.8
666.15558	2.2
681.37311	2.9
695.16022	3.3
699.38403	2.1
707.30945	0.9
741.39331	3.0
785.18304	5.8
785.38837	2.1
786.19635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98832	100.0
62.98535	0.2
67.65338	0.1
68.53874	0.1
80.96518	0.2
83.05070	0.1
89.02442	0.1
175.69901	0.1
197.11804	0.2
207.10388	0.1
208.10620	0.1
209.11839	1.4
210.12163	0.6
225.11391	0.2
226.11658	0.1
227.12938	0.2
235.08217	0.1
236.01898	0.1
253.09418	0.1
277.21768	1.4
278.22092	0.6
289.16605	0.1
359.92749	0.1
391.30695	0.1
784.42914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82673	0.1
59.01374	0.3
61.98830	100.0
71.01406	0.1
73.02947	0.1
74.35401	0.1
80.96532	0.3
83.05001	0.1
123.80399	0.1
137.46312	0.1
180.53336	0.1
209.11804	1.7
210.12135	0.7
225.00902	0.1
225.11206	0.1
226.11736	0.1
227.13103	0.1
253.09399	0.1
275.58817	0.1
277.21719	1.2
278.22104	1.0
279.22510	0.2
376.90585	0.1
479.41736	0.1
784.42853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98830	100.0
62.98517	0.2
64.05752	0.1
70.74449	0.3
71.01400	0.1
78.95910	0.1
88.98802	0.1
96.95985	0.5
96.96963	0.1
107.28393	0.1
156.25526	0.1
197.11803	0.3
206.75902	0.1
209.11821	0.2
217.16093	0.1
221.11903	0.1
235.08144	0.1
241.14549	0.1
258.38641	0.1
266.94650	0.1
406.46201	0.1
411.88828	0.1
687.31635	0.1
784.38727	0.2
785.39282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.1
60.01709	0.4
61.98832	77.9
62.82007	0.4
71.01392	2.5
73.02947	0.5
80.02677	0.8
80.96523	2.4
83.05022	4.8
84.02182	0.7
85.02979	0.7
89.02475	1.8
90.85674	0.4
94.98074	0.5
95.05016	0.5
101.02464	2.0
113.02475	0.9
128.05312	0.4
146.98946	0.4
161.04594	0.6
163.11240	2.6
164.11653	0.4
164.98598	0.6
165.12810	1.8
179.05611	0.7
181.12358	0.5
191.10806	0.8
207.10141	0.6
209.11821	100.0
210.12186	7.0
225.11290	1.2
226.11496	0.6
227.12901	10.7
228.13074	0.6
235.08272	1.9
253.09247	6.7
258.28766	0.5
277.21716	58.3
278.22079	7.6
382.05862	0.5
445.20786	2.1
507.80338	0.5
600.53650	0.5
709.42725	0.8
723.42432	0.6
783.42023	3.0
784.43701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78073	0.5
59.01383	4.8
61.98833	2.6
66.37039	0.5
71.01381	2.6
78.09108	0.4
78.95898	0.7
83.05045	0.7
85.02950	0.6
87.00851	0.5
88.42484	0.4
89.02444	1.9
92.24045	0.5
93.02843	0.4
95.05043	3.0
98.20726	1.4
101.02446	2.5
107.05025	0.7
113.02428	1.5
117.87977	0.4
151.11249	2.3
153.12856	2.8
161.04539	0.9
163.11261	0.7
165.12828	4.2
179.10803	0.9
181.12277	1.3
191.10683	0.6
209.11818	11.2
210.12117	0.9
227.12886	100.0
228.13222	6.3
235.08200	1.4
253.09299	6.4
277.21716	51.9
278.22070	5.3
361.67078	0.6
369.44989	0.7
445.20850	3.8
463.21881	7.1
464.22012	0.8
723.42896	1.4
724.43610	0.6
783.45813	0.8
784.46936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91827	0.5
59.01376	10.4
61.98829	35.4
70.93460	1.1
71.01377	3.4
73.02927	0.7
78.95928	0.5
78.98581	0.8
79.95708	0.6
80.02689	0.7
80.96528	4.5
81.03461	0.6
83.05032	3.2
85.02945	0.8
87.00874	0.8
89.02442	2.1
94.98106	0.7
101.02425	2.6
101.09287	0.4
113.02461	1.5
119.03474	0.6
125.06041	0.5
161.04536	1.5
163.11282	2.5
164.98645	1.0
165.12839	1.3
185.98091	0.5
191.10820	0.6
207.10211	0.5
209.11823	72.1
210.12151	5.0
221.94614	0.5
225.00690	1.4
225.11343	0.7
227.12878	10.6
228.13118	0.9
235.08194	6.0
253.09267	9.6
273.60416	0.4
277.21704	100.0
278.21997	9.8
280.90680	0.5
374.69315	0.5
468.23590	0.5
513.30579	1.3
783.41791	5.4
784.42792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45867	0.1
58.47263	0.1
61.98831	100.0
70.96276	0.2
70.96600	0.2
77.49264	0.1
94.98105	0.1
97.58582	0.1
105.82307	0.1
109.11299	0.1
117.07133	0.2
179.03334	0.1
183.26050	0.1
209.75372	0.1
223.13480	0.4
224.13805	0.2
255.70966	0.1
276.32440	0.1
277.21796	0.4
292.15829	0.1
521.56354	0.2
538.69714	0.1
622.84827	0.1
631.88501	0.1
753.58942	0.2
783.46362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69874	0.2
59.01385	0.5
60.99320	0.3
61.98829	100.0
62.56500	0.2
63.06676	0.2
64.45882	0.2
71.01399	0.4
72.99313	0.4
75.00872	0.2
78.01046	0.2
78.95902	0.3
88.52818	0.2
88.98793	1.4
89.02493	0.2
96.96001	0.3
97.06596	0.2
124.08579	0.2
125.02471	0.2
141.03697	0.2
163.33167	0.2
196.16605	0.2
197.11880	0.6
209.11786	0.5
210.12177	0.2
211.13467	0.4
227.12921	0.2
259.15579	0.7
277.69189	0.2
306.56238	0.2
386.23489	0.2
504.07935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03432	0.5
59.01377	15.8
60.96144	0.5
61.98842	1.0
71.01383	4.7
73.02946	1.0
79.96275	0.5
83.01372	0.7
85.02949	0.9
87.00880	1.0
89.02436	1.8
97.02943	7.2
98.19856	1.2
99.00879	9.8
101.02418	3.4
109.06584	0.7
110.03745	1.3
113.02403	1.2
119.03439	0.7
123.04485	0.7
125.02461	1.1
125.09739	2.4
135.08136	1.0
136.05307	1.3
137.34210	0.6
142.02728	1.8
145.10205	0.9
161.04524	1.1
161.09659	0.7
163.11296	6.6
164.17000	0.5
179.10828	0.7
181.12328	16.4
182.12721	0.9
190.32780	0.5
190.58691	0.5
197.11865	0.7
199.13350	1.3
207.10249	46.1
208.10641	2.8
225.11307	100.0
225.48228	0.6
226.11671	6.2
235.08241	1.4
243.12346	11.6
243.14679	0.9
253.09164	2.9
274.78195	0.5
277.21707	82.5
278.22021	7.3
299.15060	1.3
309.81628	0.5
317.16022	1.1
372.25122	0.6
380.89716	0.6
443.19183	4.2
461.20261	39.2
462.20627	4.8
721.41608	25.7
722.42047	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	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.6
61.98813	1.3
71.01376	3.1
71.05014	0.6
73.02934	1.0
78.95888	0.4
80.96508	0.6
83.01418	0.4
85.02950	1.2
85.32334	0.4
87.00864	0.9
89.02447	1.6
95.01393	0.4
97.02949	4.4
97.06573	0.6
99.00873	6.2
101.02428	2.6
109.06580	0.7
113.02440	1.2
123.08165	0.5
125.02412	0.9
125.09715	2.2
135.08096	0.4
136.05307	0.7
142.02707	1.2
145.05077	0.6
158.95738	0.4
161.04539	0.9
163.11281	3.4
181.12334	7.7
197.11800	0.5
199.13591	0.4
207.10251	24.1
208.10588	1.0
211.50085	0.5
225.11307	53.1
226.11681	3.1
233.22557	0.4
235.08185	3.5
243.12354	6.8
253.09236	3.5
267.12396	0.5
275.19928	0.4
277.21707	100.0
278.22061	8.8
292.79416	0.4
345.15604	0.4
385.50186	0.4
405.17572	0.5
443.19333	4.5
444.19470	0.7
461.20255	6.6
462.20490	0.9
513.30249	0.7
577.37677	0.7
721.41650	20.3
722.42096	4.9
781.40143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23800	0.5
59.01380	2.3
61.98826	100.0
71.01392	1.5
74.74534	0.5
83.05021	0.7
87.74793	0.6
88.98785	3.0
93.77304	0.5
96.96021	0.7
101.02437	0.7
106.01980	0.5
113.02406	0.7
116.92909	0.7
119.03524	0.6
163.11357	0.7
183.13881	1.3
197.11879	1.8
209.11816	15.7
210.12190	1.4
211.13400	19.5
211.15445	1.0
212.13649	1.3
227.12935	2.4
235.08324	1.5
251.95518	0.6
253.09348	1.6
259.15515	6.9
260.16034	0.8
273.17017	2.9
274.17273	0.9
274.34872	0.6
275.17581	0.7
447.22449	2.5
781.40887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
61.98830	100.0
70.97008	0.2
71.01384	0.3
71.51639	0.5
75.98616	0.2
83.09502	0.3
88.98800	1.5
89.02451	0.3
101.02472	0.4
113.02487	0.3
116.92903	0.5
144.80139	0.3
197.11926	0.6
209.11804	4.3
210.12270	0.7
211.13379	3.0
227.12941	0.6
241.14885	0.3
253.09225	0.3
259.15485	0.6
273.17062	2.1
274.17514	1.0
283.00754	0.3
447.22577	0.4
559.18970	0.3
780.37628	0.3
781.38348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69601	2.0
57.03448	3.9
59.01385	16.4
61.98831	40.2
71.01383	16.3
71.07161	4.1
71.07500	3.8
72.99310	3.6
73.02962	3.5
75.00887	2.2
77.21128	1.8
83.01379	3.0
83.05038	2.1
85.02940	5.5
87.00882	3.8
88.98815	12.2
89.02444	10.3
93.03487	2.7
96.96038	3.9
97.06597	7.6
99.00869	3.3
101.02443	11.5
113.02442	5.9
116.92805	2.4
119.03524	2.0
119.05053	2.8
123.08158	4.3
125.02442	3.5
125.09724	46.2
126.10096	2.6
133.02933	2.6
134.03697	2.9
135.04512	9.2
137.02463	2.1
145.02927	3.0
147.04565	2.3
149.02435	3.7
150.03200	2.8
151.03920	2.6
159.10289	2.8
161.02422	3.0
161.04564	2.2
163.04018	3.2
165.01921	3.0
165.05588	2.3
177.01915	5.8
179.03493	4.1
179.05608	2.2
181.12213	2.1
185.11839	38.5
187.09773	27.7
190.02760	3.6
195.10269	12.8
205.05058	3.4
213.11333	15.9
221.06728	2.4
279.91214	2.1
289.07318	2.4
315.35547	1.9
324.01080	2.2
341.08554	3.2
370.98111	2.1
390.60446	2.1
457.24274	2.2
460.74701	2.3
781.35034	100.0
782.35663	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	779.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09295	1.5
59.01394	2.0
59.23512	1.5
61.98832	8.9
63.96227	2.6
69.38340	12.4
71.01392	6.7
73.02955	1.4
78.95905	4.8
78.98617	7.5
79.95741	11.3
80.96521	66.5
85.02946	2.8
87.00893	2.8
94.98100	16.0
96.97000	1.3
97.02939	2.5
97.54668	1.2
101.02442	3.3
106.98109	2.4
107.73377	1.3
122.97552	2.9
125.02431	4.1
134.97569	6.0
136.99138	2.3
148.99126	6.8
152.98590	6.3
164.98648	12.9
197.11739	4.3
206.99693	3.4
208.96632	1.4
214.08748	1.7
223.13332	3.8
225.00769	22.6
225.11272	3.9
241.01210	3.3
241.10773	1.6
242.18704	1.4
255.23283	11.2
277.21585	4.8
779.38965	100.0
780.39166	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	779.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
59.01380	2.7
61.98809	0.4
62.73143	0.3
69.03458	0.6
69.28730	2.9
71.01371	0.9
73.02960	0.5
81.03462	2.8
83.01395	3.1
85.02944	0.7
93.03465	2.0
95.01411	0.7
95.05019	3.2
97.02955	6.6
99.04481	0.6
101.02438	0.9
108.02168	1.4
109.02958	22.7
110.03317	0.7
121.02988	2.7
122.03714	1.2
123.04531	13.9
124.04836	0.7
125.01527	0.7
125.02449	15.0
131.05054	0.4
135.04530	1.9
137.02443	10.0
138.03207	0.7
139.04031	3.0
145.02965	0.9
146.03723	1.0
147.04474	0.7
149.00990	0.3
149.01355	0.4
149.02448	3.3
149.06020	0.4
150.03198	1.4
151.04012	7.1
159.04504	2.4
160.05264	1.6
161.02435	1.3
161.06087	5.1
162.03232	1.5
163.04008	1.5
164.01190	3.3
165.01912	3.9
166.02591	0.4
167.03563	1.7
173.04581	0.5
173.06075	0.9
175.04018	2.4
175.07596	2.3
177.05501	0.5
179.03481	5.0
183.10266	0.4
184.05342	0.5
185.06108	0.8
187.04004	5.1
188.04774	3.9
199.07651	1.1
201.05496	0.8
201.09203	0.3
202.06377	2.0
203.07118	12.3
204.07475	0.8
205.05054	7.8
212.04778	0.5
217.04959	0.4
217.08754	0.5
221.08171	2.8
227.07083	2.1
230.05841	0.6
231.03004	0.6
245.08174	17.0
246.08525	1.3
247.06044	0.8
269.08118	0.7
271.06073	0.7
287.05701	0.4
289.07178	100.0
290.07513	8.3
447.21939	0.5
471.18219	0.3
489.19812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84649	11.0
56.35519	9.9
61.98826	100.0
105.88143	10.9
106.27479	9.8
125.02414	11.6
130.60364	9.7
140.05278	10.4
153.81517	10.5
197.11835	26.3
229.33263	12.7
289.07065	12.1
717.38239	14.3
777.41296	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	777.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42886	2.7
61.98817	15.5
69.20835	27.9
69.21251	7.3
71.01390	6.3
85.39291	3.3
98.19857	6.6
108.99296	3.1
125.02577	3.2
161.04649	3.8
201.11311	40.2
209.11809	72.8
210.12099	5.4
220.47641	3.5
227.12856	16.3
235.08229	8.0
253.09386	16.4
259.04886	3.1
277.21704	100.0
278.22043	12.8
278.68155	3.6
323.25107	3.8
419.18906	4.0
445.20636	5.3
513.30151	7.5
574.11230	4.0
697.41266	5.0
777.42157	17.6
778.42737	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	777.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03455	2.1
59.01109	2.9
59.01384	39.6
60.03198	1.8
67.01888	2.6
67.35249	1.8
68.99825	3.1
69.03455	2.0
70.84866	3.5
70.85220	2.1
71.01387	77.8
72.99312	10.9
73.02949	12.3
81.03416	2.3
83.01374	10.7
85.02956	36.4
87.00877	12.0
89.02447	9.3
95.01384	9.6
96.95982	2.8
97.02938	3.2
99.00888	3.6
101.02445	12.6
109.02944	3.7
109.77947	1.4
111.00890	6.7
112.01669	4.7
113.01726	2.5
113.02460	43.4
114.02746	1.5
115.03958	2.4
121.03008	1.7
125.02432	1.6
127.04008	2.1
131.03487	15.7
131.92465	1.7
137.02455	4.1
139.00349	1.8
139.04033	3.4
149.00934	1.5
155.03453	3.2
165.59352	1.4
173.04555	4.8
191.05621	7.0
205.07153	2.4
219.05197	3.1
227.05556	3.1
245.06833	8.7
305.08850	4.8
321.08344	3.1
393.08054	2.7
473.30881	1.8
510.74304	1.9
560.58655	1.9
581.14862	1.8
585.16998	3.4
628.17114	1.9
645.18933	13.7
646.19202	2.3
699.20001	13.6
717.21008	44.3
718.21497	6.1
777.23102	100.0
778.23364	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	775.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.96429	0.3
70.96797	0.1
83.08317	0.1
87.35130	0.1
154.17802	0.1
297.08716	0.1
670.47766	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82098	4.5
56.68757	4.5
59.01376	30.3
61.98815	16.8
71.01404	25.2
78.95930	26.6
79.95753	7.4
80.96532	36.4
89.02435	22.1
94.98058	8.5
96.86862	5.7
101.02448	12.5
113.02448	11.4
119.03526	15.3
121.98132	5.4
122.97552	10.0
152.99585	16.4
164.98582	7.0
223.13431	10.9
225.00728	6.5
241.01131	10.6
252.64124	6.1
253.25395	10.0
255.23340	23.5
281.52322	5.9
304.85175	5.9
338.15909	6.4
526.04688	6.8
528.22150	5.9
560.50464	20.5
578.51581	6.6
740.56891	100.0
741.57343	20.6
776.53253	15.6
777.41840	66.2
807.50970	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	775.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99711	0.1
59.04637	0.1
61.98830	100.0
62.98518	0.3
70.62771	0.4
117.20551	0.1
119.89940	0.1
126.60755	0.1
166.30638	0.1
230.57336	0.1
288.80734	0.1
460.67346	0.1
571.51764	0.1
648.64325	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	86.6
69.79225	100.0
74.51842	27.0
93.46421	26.9
98.20720	38.8
116.94547	23.5
117.70303	21.9
211.13383	45.0
212.56104	24.0
277.21719	63.9
619.20483	26.0
761.88116	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	775.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98831	0.2
71.01386	0.3
72.58234	0.1
78.95905	16.1
79.95740	3.1
88.84185	0.1
93.03472	0.1
94.98102	0.3
96.96017	100.0
96.96935	22.4
97.95957	0.3
101.02459	0.2
107.57398	0.1
135.04489	0.2
136.64940	0.1
149.02473	0.1
183.66258	0.1
211.93448	0.1
212.41510	0.1
230.11406	0.1
230.13644	0.1
339.73816	0.1
494.25134	0.1
775.33289	0.2
775.47363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48869	6.7
56.74549	6.1
59.01371	9.5
61.98833	100.0
77.49162	6.8
78.95885	9.7
90.56213	7.5
96.95978	17.6
145.84045	6.7
185.11520	8.4
209.11740	16.6
227.12793	7.9
253.09122	14.8
293.21146	22.0
470.28964	8.5
775.41095	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	775.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.3
60.99303	2.7
61.98831	13.3
62.80098	1.1
71.01381	3.0
71.50272	1.3
71.50638	1.1
72.99310	1.7
83.01390	1.4
85.02950	1.1
87.00921	1.8
88.98806	18.5
89.02428	2.6
90.05637	1.2
101.02464	2.0
113.02478	1.7
125.02390	1.4
161.04591	1.1
167.10840	2.3
188.11150	1.1
191.12740	1.0
195.13925	5.9
205.12372	7.1
209.11790	1.7
223.13388	72.1
224.13731	4.9
227.12901	1.6
235.08214	3.9
241.14406	2.1
253.09200	6.7
273.17065	100.0
274.17355	7.8
289.07022	1.1
293.21225	1.7
441.21039	2.5
459.22415	8.0
460.22644	1.6
462.19650	1.2
509.26102	1.6
690.37933	1.2
715.39233	3.2
775.40106	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	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.0
61.98833	100.0
71.01383	3.6
76.25907	3.3
80.96511	2.9
89.02449	3.6
90.57997	2.8
98.19827	4.6
101.02439	4.6
109.06590	8.1
163.11308	4.7
167.44164	2.7
171.10222	14.4
185.11803	5.2
199.09731	17.4
207.10254	28.1
220.13834	3.1
225.11290	55.9
253.09259	9.0
277.21732	62.7
278.22003	5.4
320.60394	3.2
417.17227	3.1
435.18674	6.8
443.19107	7.8
461.20242	23.9
592.65149	3.8
695.39880	26.4
721.41602	33.9
722.41565	6.7
775.40137	10.2
789.97296	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	775.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
61.98831	100.0
62.98518	1.3
71.01383	2.4
78.95912	2.0
92.17260	1.0
95.83461	1.3
101.02425	1.6
109.06572	3.3
145.02963	1.7
161.04567	1.5
163.11311	2.9
171.10257	16.5
197.11891	2.9
199.09711	4.2
207.10228	8.7
225.11302	28.1
226.02325	1.2
235.08267	4.3
240.25998	1.3
253.09274	5.1
270.24176	1.3
277.21704	44.5
278.22095	4.8
443.19125	3.3
461.20209	7.5
513.30560	1.8
632.18567	1.4
695.39917	8.5
696.40448	2.8
721.41711	14.8
722.41510	1.6
739.41785	1.8
775.40118	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	775.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23376	1.2
57.03430	1.7
58.51686	1.1
59.01383	15.6
61.98584	1.1
61.98834	11.4
69.03452	1.2
71.01049	1.5
71.01394	13.9
71.52498	1.9
72.99306	1.9
73.02937	3.7
81.03549	1.3
83.01398	6.0
85.02951	4.1
87.00892	5.6
88.98779	2.7
89.02452	5.9
91.45127	1.2
93.03438	3.5
95.01369	1.9
95.05006	2.0
96.96011	1.4
97.02952	4.7
99.00881	3.1
101.02437	7.8
101.99867	1.4
108.02159	3.0
109.02970	13.1
113.02444	3.0
116.92814	1.1
119.05032	1.4
120.01202	1.1
121.02985	6.6
122.03760	9.0
123.04547	8.6
124.01655	4.7
125.02477	5.9
131.03519	13.5
133.02878	1.3
134.03766	1.2
135.04518	3.8
136.01637	2.4
137.02458	37.6
138.03233	1.6
139.03967	2.9
139.14139	1.4
146.03719	1.5
149.02451	7.3
150.03174	1.7
151.03998	5.5
151.07674	2.3
154.02663	2.6
159.04491	1.9
161.02415	4.1
161.06052	6.2
162.03236	2.0
163.04007	3.3
164.01175	6.1
164.04807	1.2
165.01949	51.7
165.05559	1.2
166.02383	1.8
173.05995	1.4
175.02583	1.2
175.04002	2.8
175.07588	1.4
177.01944	1.6
177.05577	3.3
178.06259	1.9
179.03519	8.1
187.03958	4.8
188.04762	1.9
189.01926	2.4
190.02684	3.5
191.05617	5.1
201.05536	2.1
203.03375	1.2
203.07153	6.9
205.05077	13.0
206.05315	1.5
215.03439	1.5
217.01385	1.9
225.11259	1.4
229.01494	1.4
244.07419	1.6
247.05994	1.2
288.06339	3.1
289.07098	2.7
419.22260	2.8
428.70758	1.3
503.13498	1.2
577.26471	6.1
578.27222	1.4
613.18579	1.3
623.27081	8.2
624.28137	1.5
665.18604	3.4
743.30292	1.4
775.31866	100.0
776.32086	22.7
804.70593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01382	10.1
61.98819	1.6
66.83563	0.6
69.03461	1.8
71.01389	9.0
71.52551	0.9
72.99306	0.6
73.02941	2.4
77.03984	0.9
82.50560	0.6
83.01396	6.3
85.02952	2.4
87.00886	5.5
89.02458	5.2
93.03452	2.6
95.01398	1.9
96.95981	0.9
97.02963	5.1
101.02461	3.5
108.02171	2.5
109.02964	9.8
113.02444	1.3
121.02952	5.2
122.03763	10.4
123.00868	0.7
123.04560	7.3
124.01654	3.2
125.02415	2.8
131.02553	0.9
131.03531	12.3
133.02928	0.7
135.04524	3.2
136.01689	1.9
137.02458	32.9
138.03154	2.3
139.04013	2.9
145.02992	1.3
146.03758	1.5
149.02460	4.3
149.04523	0.9
150.03207	1.9
151.04025	5.1
154.02698	2.1
159.04492	2.8
159.11601	0.7
161.02425	2.7
161.06099	4.5
162.03171	1.9
163.04005	2.3
164.01170	8.0
164.04764	0.9
165.01942	46.1
166.02397	1.6
173.06050	0.9
175.03963	2.5
176.04771	0.8
177.05608	3.3
179.03545	5.6
180.04195	1.5
185.06035	0.9
187.03995	2.3
188.04799	1.5
190.02745	1.3
191.03926	0.7
191.05635	5.1
195.06596	1.6
201.05591	1.7
202.06371	1.9
203.07150	5.9
204.04189	0.9
205.05070	11.0
225.07549	0.8
231.02968	1.1
244.07301	1.8
245.08125	1.6
247.06232	0.9
248.18674	0.7
286.18091	0.8
288.06360	2.4
289.07233	4.2
387.14511	2.9
408.62265	0.8
419.22250	2.3
565.20618	1.4
600.83392	0.7
623.27094	3.0
661.22052	0.7
731.32123	2.0
775.31897	100.0
776.32385	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	775.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.0
61.98825	1.1
68.99830	0.6
69.03452	1.0
70.37996	1.1
70.38381	1.1
71.01389	8.3
72.99288	0.6
73.02934	2.4
77.03986	0.9
83.01393	5.2
85.02957	2.2
86.00093	0.7
87.00894	6.0
88.98819	1.4
89.02446	4.6
93.03461	2.1
95.01383	1.0
96.96002	1.9
97.02960	5.1
101.02465	4.0
108.02178	1.7
109.02343	0.7
109.02970	9.2
113.02437	1.3
121.02965	7.5
122.03753	10.0
123.04564	5.8
124.01691	2.8
124.21128	0.6
125.02493	3.2
131.03514	13.2
135.04538	1.8
136.01657	1.3
137.02463	32.8
138.03125	2.4
138.29961	0.6
139.03981	1.8
143.05075	0.8
145.02980	0.8
146.03752	1.7
148.05267	0.7
149.02481	3.4
149.04514	1.0
150.03181	1.0
151.04041	3.7
151.05045	0.9
154.02734	1.5
159.04527	2.7
161.02475	2.8
161.06094	5.2
162.03217	1.3
163.04025	2.2
164.01163	6.1
165.01944	46.8
166.02278	1.5
173.06012	0.7
175.04004	1.9
175.07745	0.6
177.05511	2.5
178.06271	0.6
179.03479	4.3
185.06000	0.9
187.04054	2.7
188.04765	1.8
189.01950	0.9
189.21492	0.6
191.03868	0.7
191.05637	6.5
201.05600	1.5
202.06364	1.0
203.07140	6.2
204.04297	1.0
205.05074	11.1
208.27951	0.7
231.02982	1.5
244.07436	1.8
245.08183	1.0
247.06096	1.7
270.05637	0.6
288.06360	2.2
289.07071	0.9
307.20084	0.5
402.47906	0.7
419.22247	2.5
611.27496	1.1
623.27228	4.1
624.27209	0.9
665.28125	0.7
731.33044	1.6
775.31885	100.0
776.32092	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	775.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01381	12.5
61.98833	8.7
62.46843	0.7
69.03455	2.1
69.20776	7.6
71.01389	10.8
72.51045	0.7
72.99297	1.5
73.02950	4.7
83.01382	6.3
85.02948	3.2
86.00142	1.0
87.00873	5.7
89.02457	6.2
93.03439	2.5
95.01382	2.3
95.05035	1.0
96.95992	0.8
97.02949	5.4
98.20683	1.6
101.02462	6.3
108.02166	2.9
109.02956	9.1
113.02449	3.0
116.92860	0.9
117.03468	0.8
119.05048	1.2
121.02960	5.5
122.03740	9.6
123.04550	7.2
124.01678	4.0
125.02445	4.8
131.03516	13.3
133.02898	0.8
134.03772	1.2
135.04478	2.8
136.01634	2.2
137.02448	33.0
138.03189	2.4
139.03989	2.6
145.02916	1.2
146.03705	2.3
149.00923	0.7
149.02477	4.0
149.04541	0.9
150.03220	1.6
151.00438	0.8
151.04021	4.2
151.07652	1.4
154.02640	1.9
157.06625	0.8
159.04497	2.4
160.01752	1.0
161.02429	3.5
161.06033	5.9
163.03990	2.5
164.01163	4.2
165.01930	55.2
165.05537	1.6
166.02325	2.8
173.04527	1.0
175.03944	1.8
176.04781	0.9
177.02014	1.0
177.05536	2.5
179.03477	6.5
179.27464	0.8
180.04251	6.3
181.04884	1.1
187.03981	3.0
188.04745	1.1
189.01768	0.8
190.02710	1.7
191.03416	0.7
191.05583	4.8
195.06612	9.2
201.05457	1.5
202.06387	1.8
203.07137	6.6
204.04187	1.3
205.05063	10.6
206.86272	0.7
210.05350	1.9
225.07704	14.4
229.05095	0.9
231.02936	1.7
244.07304	2.6
245.07927	1.1
247.06055	2.3
281.49481	0.8
288.06323	1.8
289.07172	1.7
387.14642	1.2
399.16446	1.0
419.22345	2.7
613.22308	1.0
623.26874	5.4
624.27881	1.0
731.32745	1.4
775.31781	100.0
776.32141	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	774.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
60.43738	0.2
61.98831	100.0
62.21758	0.2
73.22275	0.3
98.19937	0.6
98.49533	0.2
111.98278	0.2
125.11326	0.2
136.82777	0.2
139.20120	0.3
171.10297	1.5
225.11336	0.7
253.09297	0.3
277.21713	2.2
324.31998	0.3
383.76132	0.2
404.71487	0.3
443.19458	0.3
483.55618	0.3
554.91589	0.2
721.42053	0.5
738.42743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.01401	0.4
71.51193	0.5
78.47795	0.3
78.95950	0.4
93.77518	0.3
111.00676	0.3
134.85684	0.3
156.49533	0.3
165.01625	0.3
171.10272	1.6
199.09743	0.4
207.10355	0.6
220.84578	0.3
225.11250	1.9
253.09232	0.5
277.21661	2.9
356.52185	0.3
361.85641	0.3
443.19397	0.4
446.79837	0.3
461.20532	0.5
695.40637	0.9
721.42108	1.0
738.41595	0.7
759.53094	0.3
775.40161	0.4
798.62885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49536	8.3
59.01385	14.5
61.98830	100.0
66.87952	12.0
67.11858	10.4
71.01326	12.2
71.51904	11.5
78.95894	15.6
95.40340	11.1
101.02445	11.7
105.35011	9.8
122.97614	14.2
149.29759	11.4
201.11404	9.4
209.11809	37.9
225.11314	22.7
253.09346	10.4
259.15509	35.0
260.15781	23.8
261.16144	26.3
289.07083	24.0
293.21219	62.6
294.21399	14.1
348.34961	10.3
547.82129	10.6
700.62567	10.7
737.40552	18.5
767.21289	10.7
773.39343	31.7
774.41119	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	773.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.8
61.98831	43.6
71.35876	9.9
72.92390	4.7
79.97375	4.4
115.62365	4.3
171.60059	4.6
217.14455	73.7
241.14539	5.4
253.09320	5.5
277.21719	100.0
278.22104	9.6
516.00629	4.7
773.41229	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	773.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01371	5.6
61.98828	14.2
62.66587	0.5
69.03456	0.9
69.74763	2.4
71.01377	5.9
72.99297	0.5
73.02946	2.1
75.00899	0.6
75.62433	0.4
77.29894	0.5
78.27512	0.5
78.95879	0.9
80.02679	1.3
81.03439	1.5
83.01390	1.1
83.05022	5.3
84.02164	1.0
85.02953	5.4
87.00867	1.4
88.98785	0.6
89.02448	3.5
95.05002	1.3
96.96034	2.9
97.02949	0.9
97.06581	1.8
98.19904	1.0
99.00818	0.7
101.02430	5.1
103.20539	0.5
109.02924	0.6
111.08157	0.5
113.02473	3.1
113.41028	0.5
116.92857	4.6
119.03484	0.9
125.02468	0.9
125.09742	0.8
127.11284	0.6
135.08121	0.6
137.09689	1.3
145.05127	1.1
150.03207	0.6
155.10847	0.8
161.02438	0.5
161.04562	1.9
163.11288	3.0
165.12796	2.8
171.10258	13.5
179.05656	0.7
181.12282	0.5
183.13918	1.2
185.11821	1.3
193.12344	0.7
197.11819	1.3
201.11247	0.7
209.11816	100.0
210.12193	5.5
211.13416	9.6
213.56874	0.5
221.11789	1.5
227.12895	12.5
228.13179	0.8
229.14439	7.2
235.08192	6.6
239.12801	0.9
253.09282	18.7
254.09476	1.1
289.07214	0.7
291.19708	2.9
309.20663	8.4
310.21069	0.6
327.21741	57.2
328.22061	5.4
445.20688	1.7
519.33185	0.8
545.29620	1.0
563.30951	1.8
729.39886	0.7
773.37341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.6
61.98829	85.9
70.94975	7.3
71.01388	15.3
74.00703	5.8
84.47826	4.1
85.02948	7.0
89.02431	4.8
96.96044	7.8
101.02421	5.5
113.02421	7.7
115.00385	4.6
116.92867	9.2
158.20767	3.6
161.04587	3.8
171.10291	13.9
176.23026	4.3
197.11853	5.2
201.11278	8.1
209.11827	100.0
210.12167	5.8
211.13441	7.8
226.84068	4.9
227.12891	71.7
229.14304	4.7
235.08177	9.5
253.09331	23.5
259.15503	18.3
262.07626	4.2
273.17020	14.2
289.07184	4.7
327.21738	35.4
445.20944	13.1
495.24588	4.6
773.37347	36.7
774.38458	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	773.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.1
71.01381	0.2
76.45069	0.2
78.95904	22.3
79.95738	3.7
94.92507	0.3
94.98077	0.7
95.97601	0.2
96.92216	0.5
96.96005	100.0
96.96954	28.4
97.95953	0.3
116.92860	0.4
136.02502	0.2
150.80844	0.2
185.23561	0.2
188.84610	0.2
192.17648	0.2
247.54590	0.2
365.04202	0.2
453.09256	0.4
524.53906	0.2
713.30536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01378	2.2
69.03462	3.1
69.17301	16.2
69.54184	1.3
70.16288	1.3
71.01402	4.0
80.31400	1.4
81.03452	15.9
83.01388	16.2
85.02946	3.5
90.96876	1.8
90.97414	1.5
93.03455	5.3
95.01372	7.1
95.05000	10.5
96.96049	2.5
97.02959	11.6
99.04532	8.0
107.05054	2.6
109.02986	5.2
110.43481	1.6
111.04527	5.0
113.02451	4.3
119.05093	1.8
121.02976	5.8
123.00900	2.2
123.04527	35.1
125.02449	44.8
125.06055	1.9
135.04512	9.8
137.02428	14.5
137.06096	3.4
138.03242	2.1
139.04015	6.3
147.04567	3.2
149.02399	3.6
149.06096	3.3
151.03984	7.5
153.05545	3.6
155.03532	1.7
163.04016	2.8
165.01901	4.5
165.05605	3.6
166.02644	1.5
167.03497	61.1
168.03790	2.9
173.04546	6.2
177.01955	3.8
177.05586	2.1
179.03494	19.8
181.05057	2.9
191.03517	5.4
191.05568	3.1
193.04941	2.3
197.04507	13.4
209.04550	100.0
209.24252	1.4
210.04875	5.3
221.04631	7.7
233.04523	1.6
239.05602	74.8
240.06001	4.1
251.05600	5.2
269.06680	32.1
270.06989	2.2
281.06592	2.6
299.07870	1.8
311.07761	7.0
329.08752	17.6
330.09067	2.2
341.08844	6.1
353.08704	4.6
359.09903	6.5
395.14600	1.5
435.44937	1.6
449.13013	8.3
533.13043	42.6
534.13300	4.6
563.14063	37.8
564.14569	4.5
593.15613	8.1
635.16193	5.8
653.17157	18.9
654.17877	4.2
665.17206	4.9
669.14099	1.6
683.18378	3.0
755.20654	3.0
773.21545	13.3
774.22009	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	772.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17081	0.2
59.01363	0.3
61.98830	100.0
69.40134	0.2
73.91611	0.3
79.76576	0.3
80.68716	0.2
104.10249	0.2
120.81215	0.2
142.65518	0.3
171.10257	0.3
277.21918	0.9
412.85736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98829	100.0
71.51930	0.3
101.02540	0.3
117.17066	0.3
130.34251	0.3
155.57100	0.3
166.06139	0.3
185.11871	0.9
209.11874	0.7
228.06761	0.4
253.09415	0.4
255.23363	0.8
277.21716	1.6
278.22186	0.4
279.22946	0.4
333.59528	0.4
352.24551	0.3
439.49823	0.3
504.81143	0.3
616.35468	0.4
618.53485	0.4
692.99963	0.4
709.41687	0.7
722.46558	0.6
786.46570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98830	100.0
78.95940	0.2
81.84710	0.2
98.19843	0.5
99.92578	0.3
102.25700	0.3
116.92861	2.1
185.11862	0.6
195.10211	0.3
197.11859	0.3
213.11322	0.3
223.09964	0.3
253.09193	0.3
277.21768	1.3
278.22202	0.4
467.76715	0.2
507.47733	0.2
634.39911	0.3
709.42468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01374	7.4
61.57771	1.1
61.98822	5.6
64.73241	1.3
71.01380	4.0
78.95892	1.5
79.95726	1.3
83.05022	1.9
87.00885	1.4
89.02441	3.4
90.58245	1.1
98.19859	2.3
101.02441	5.0
113.02423	2.4
122.97629	1.4
125.02454	2.7
155.96420	1.3
158.12619	1.3
161.02426	1.3
161.04573	1.9
163.11272	2.0
165.12869	1.9
171.10268	3.8
183.10242	5.9
195.13901	8.5
197.11818	2.6
209.11845	27.8
210.12074	2.8
211.13458	3.2
223.13399	3.7
227.12843	2.5
235.08237	3.5
241.14352	1.9
253.09290	28.2
254.09554	1.4
256.13129	2.2
259.15491	87.4
260.15756	4.8
275.20200	8.9
277.21832	1.3
289.06992	2.4
293.21228	100.0
294.21637	7.5
328.37350	1.3
529.29712	1.5
535.36340	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	771.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.2
59.01377	18.9
61.98830	23.3
64.93378	2.2
71.01379	15.5
71.51790	2.9
72.99306	5.2
73.02952	5.5
75.00889	12.4
83.01389	5.0
85.02942	15.5
87.00888	7.5
89.02448	4.3
91.88186	2.0
94.06462	2.1
95.01373	3.4
96.96036	4.4
99.00901	9.5
101.02467	7.4
103.00327	2.3
106.07604	2.1
113.02467	12.6
123.04487	2.6
125.02467	4.7
134.03731	3.3
135.04501	4.4
137.02518	3.5
160.01653	2.6
161.02475	4.5
173.04605	2.6
200.06917	2.1
249.06062	4.2
271.92218	2.1
289.07370	2.7
293.21280	2.2
313.24112	2.2
359.27960	19.4
373.26035	2.2
413.40179	2.3
521.33423	27.4
522.33429	4.5
611.27124	2.3
771.40430	100.0
772.40448	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	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79207	0.5
63.02397	0.8
65.00348	0.7
69.30114	5.6
69.30443	0.8
69.80608	0.6
85.28009	0.6
107.01408	2.1
109.02926	1.4
121.02924	1.3
121.77331	0.6
125.02457	0.7
133.02966	0.8
147.00891	0.8
149.02457	0.7
151.00366	8.8
163.00374	1.2
171.04515	0.9
175.00415	0.8
175.04114	1.0
178.99800	1.9
187.03961	0.6
199.03960	2.5
203.03482	0.8
215.03665	1.5
227.03523	3.0
243.02924	4.5
255.02977	4.4
256.03461	0.9
271.02466	60.5
272.02805	5.8
273.03918	0.8
297.03769	0.9
299.01950	100.0
300.02621	31.1
301.03491	38.9
302.03851	4.0
313.03473	1.0
327.05142	2.2
339.37704	0.6
343.04587	1.5
369.05606	0.6
462.08005	14.8
463.08670	6.0
609.14618	36.6
610.14978	6.0
610.42767	0.6
694.18591	0.7
771.19843	60.6
772.20215	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	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79207	0.5
63.02397	0.8
65.00348	0.7
69.30114	5.6
69.30443	0.8
69.80608	0.6
85.28009	0.6
107.01408	2.1
109.02926	1.4
121.02924	1.3
121.77331	0.6
125.02457	0.7
133.02966	0.8
147.00891	0.8
149.02457	0.7
151.00366	8.8
163.00374	1.2
171.04515	0.9
175.00415	0.8
175.04114	1.0
178.99800	1.9
187.03961	0.6
199.03960	2.5
203.03482	0.8
215.03665	1.5
227.03523	3.0
243.02924	4.5
255.02977	4.4
256.03461	0.9
271.02466	60.5
272.02805	5.8
273.03918	0.8
297.03769	0.9
299.01950	100.0
300.02621	31.1
301.03491	38.9
302.03851	4.0
313.03473	1.0
327.05142	2.2
339.37704	0.6
343.04587	1.5
369.05606	0.6
462.08005	14.8
463.08670	6.0
609.14618	36.6
610.14978	6.0
610.42767	0.6
694.18591	0.7
771.19843	60.6
772.20215	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82987	0.7
59.01385	1.4
61.98814	4.9
62.96411	1.5
66.25420	0.7
69.98133	0.7
70.05979	0.7
70.92650	0.7
70.92988	1.4
75.00885	0.7
78.91902	0.7
78.95905	47.7
85.13297	0.6
96.96967	1.4
121.02947	1.6
122.00129	4.3
122.03738	1.6
122.28370	0.7
126.03230	1.1
136.05315	0.9
140.00099	1.1
140.01195	16.2
152.33951	0.7
152.99577	6.9
167.14398	2.6
168.04172	0.9
170.46326	0.7
193.16011	1.4
196.03789	12.9
197.11816	2.2
213.14912	1.9
214.04416	0.7
223.20677	2.2
238.89804	0.9
249.18567	12.9
253.09242	0.9
255.23256	0.9
267.19647	98.9
268.19962	6.8
273.17059	9.1
274.17429	4.1
275.16519	14.3
276.16922	1.1
277.21707	8.9
278.22061	5.9
279.23300	27.6
280.23651	2.5
293.17596	49.3
294.17926	3.7
311.18643	44.8
312.19037	4.1
415.22656	0.9
429.16785	1.5
447.17773	2.1
458.26349	0.8
476.27789	4.6
490.22174	8.3
491.22284	1.5
508.23380	1.2
508.96649	0.7
739.42914	0.8
770.46112	100.0
771.46558	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	770.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29388	0.3
57.11897	0.3
61.98832	100.0
67.41859	0.3
70.79430	0.3
71.50683	0.3
78.95907	0.5
80.89851	0.3
80.96540	0.3
182.04730	0.3
273.17261	0.6
277.21765	1.1
278.22211	0.8
279.23380	0.9
770.47192	0.9
771.40869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88110	0.1
59.25550	0.1
61.98830	100.0
62.98544	0.1
70.15242	0.1
71.28334	0.2
71.28675	0.2
78.95921	0.2
79.63502	0.1
80.96496	0.1
85.62866	0.1
92.25054	0.1
93.66482	0.1
97.70621	0.1
152.99658	0.2
211.13446	0.4
212.13835	0.3
222.84181	0.1
255.23308	0.1
267.19791	0.2
277.21860	0.3
278.22208	0.4
334.37253	0.1
478.98825	0.1
770.46985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
60.41721	0.1
61.98832	100.0
62.19448	0.1
62.98534	0.2
63.99260	0.2
70.54469	0.2
71.01389	0.2
71.43291	0.2
71.43633	0.2
82.78880	0.1
88.98785	0.1
91.40874	0.1
96.96051	0.3
98.95555	0.1
197.11856	0.2
209.11838	0.9
225.11467	0.2
227.12967	0.3
253.09354	0.2
268.30859	0.1
280.10355	0.1
459.80307	0.1
682.98706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
59.01374	1.8
60.99307	0.6
66.56266	0.6
67.01886	4.4
69.03455	1.4
69.17186	7.1
69.32027	0.6
71.01386	3.6
81.03473	1.0
83.05007	1.4
85.02954	5.0
87.00883	1.1
93.02862	1.4
93.03455	25.3
101.26897	0.7
109.02937	2.5
111.00909	1.4
111.04533	5.6
125.02225	1.0
127.04011	1.5
134.03714	2.5
135.04529	65.7
136.04837	2.4
137.02438	6.7
149.06122	3.7
149.07173	0.6
155.03497	4.6
161.02449	2.8
161.06073	1.0
161.91199	0.6
173.04547	100.0
174.04918	2.7
179.03494	62.1
180.03859	2.2
191.05606	35.7
192.06024	1.5
226.72127	0.7
248.68335	0.6
255.06543	0.9
271.09821	1.3
311.22198	0.6
315.08752	1.1
353.08759	88.5
354.09161	8.4
359.07709	2.5
360.08600	0.7
383.27231	0.6
404.77679	0.7
489.13882	1.1
533.12982	16.2
534.13177	2.4
688.13562	0.7
707.18311	13.5
708.18280	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	769.451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91822	12.8
61.98820	100.0
70.91471	18.1
70.91792	29.2
78.95914	49.2
89.62991	13.9
110.76669	13.1
148.80046	13.3
179.04472	16.0
209.11816	29.1
221.43102	14.8
255.23270	70.3
270.81088	14.5
277.21570	25.6
279.23376	57.9
280.23779	28.9
281.24939	13.3
769.42694	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	769.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03443	1.8
59.01378	8.9
61.98532	1.0
61.98830	12.3
68.61980	0.6
69.03458	4.5
69.75394	3.0
71.01380	8.0
71.05022	1.5
72.99310	0.8
73.02938	2.2
78.91024	0.6
82.30057	0.5
83.01385	1.7
83.05017	1.1
84.02187	0.6
85.02953	7.8
87.00867	2.0
89.02438	3.5
92.69344	0.5
94.98092	0.5
95.01448	0.6
95.05012	1.2
96.95988	1.6
97.02948	1.5
97.06567	2.9
98.20538	0.8
99.00881	1.5
101.02444	8.0
109.06612	1.3
111.04506	0.6
111.08173	1.7
113.02462	4.5
116.92886	0.7
119.03526	1.6
123.08147	0.7
125.02468	0.7
125.09706	2.5
127.11298	0.9
133.05051	0.7
137.09697	1.8
143.03497	0.9
145.05060	1.5
147.83012	0.6
149.09740	0.9
151.11259	1.0
153.09186	0.7
155.10738	1.0
161.04590	3.4
161.09627	0.6
163.11331	1.0
165.12817	0.9
167.10785	2.8
167.14403	0.6
171.10277	25.6
177.12836	1.3
179.05603	1.0
179.10797	2.7
179.14403	3.4
181.12343	0.7
183.13921	2.1
185.11845	1.2
193.12372	0.6
195.13902	11.4
196.14125	1.0
197.11838	12.4
198.12177	0.6
201.11360	0.7
205.12347	10.3
206.12643	0.7
207.10249	1.0
209.11832	6.4
211.13414	10.4
212.13736	0.8
221.11804	1.6
223.13387	100.0
224.13675	6.0
225.11299	1.9
227.12871	1.7
229.14421	6.7
235.08208	16.2
236.08585	0.7
239.12837	1.0
241.10835	1.4
253.09276	23.8
287.16428	1.2
289.18042	1.4
291.19717	5.0
305.17642	1.1
307.19321	1.6
309.20703	10.2
310.21057	1.1
316.87927	0.6
327.21762	78.2
328.22086	7.1
417.40598	0.6
459.16010	0.9
459.22424	16.6
460.22919	1.9
533.34753	1.8
545.29535	2.7
563.31036	3.5
564.30670	0.8
671.33813	0.9
751.39313	1.7
769.40094	17.8
770.40802	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	769.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13788	0.6
55.58588	0.8
56.12005	0.8
57.03441	1.2
58.48540	0.7
59.01378	5.6
61.98828	2.7
62.96642	0.7
71.01390	4.1
73.02962	1.4
74.29883	0.7
74.83676	0.7
81.03480	0.9
83.05017	3.5
85.02932	1.4
87.00839	1.1
89.02451	3.6
90.30697	0.9
95.05003	1.3
101.02435	3.4
109.06554	0.8
111.08174	7.3
112.08500	0.8
113.02460	3.2
137.09637	0.8
161.04570	2.1
163.11278	2.6
165.12871	1.0
167.10770	1.3
169.12376	0.9
171.10193	1.2
177.12856	1.8
179.10780	1.7
183.10245	1.8
195.13924	4.9
197.11864	6.6
209.11827	68.5
210.12166	4.6
211.13388	1.3
223.10060	0.7
223.13725	0.7
225.11499	0.9
227.12895	12.6
235.08220	4.9
241.14456	24.4
242.14743	2.0
247.20587	1.8
253.09277	12.9
259.15485	24.7
260.15991	1.7
262.90482	0.9
268.10928	0.7
273.18692	1.1
280.40170	0.7
291.19662	100.0
292.20032	10.1
309.20709	7.7
310.21286	1.1
445.21011	0.7
495.24399	1.1
498.29224	0.7
527.28693	8.6
528.28967	1.4
601.99036	0.7
719.40112	1.2
791.91302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.1
61.98827	4.6
64.72167	1.3
67.46513	1.4
68.99561	2.9
71.01382	5.6
71.51756	2.4
78.95894	2.2
83.05003	1.4
85.02950	1.7
89.02427	1.6
101.02423	2.2
112.98559	2.8
113.02438	2.0
125.02505	1.4
149.09747	2.1
151.11285	2.5
155.10774	1.4
158.97069	1.3
167.10742	4.3
171.10254	5.4
177.09213	8.2
185.11884	8.5
195.10263	57.1
196.10587	3.8
197.11787	5.9
209.11934	7.9
211.13338	3.0
213.11345	9.3
225.10440	1.4
227.12874	4.9
235.08214	4.3
253.09268	9.0
277.21732	100.0
278.22052	9.2
309.80582	1.3
419.19397	1.6
431.19022	2.6
513.30450	1.6
691.40753	1.8
709.42114	4.6
737.41284	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	769.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01374	5.2
61.98826	15.3
69.03461	5.0
69.98375	0.9
71.01379	7.2
71.05025	2.4
72.71065	1.0
73.02917	1.7
82.17688	1.0
85.02978	1.5
87.00846	1.4
89.02414	3.0
96.95971	1.7
97.02934	1.5
97.06579	1.0
98.20664	2.0
99.00868	2.0
101.02447	4.7
111.08134	4.4
113.02437	1.6
123.08150	1.0
125.09719	2.0
151.11285	3.2
153.12851	2.6
161.09677	3.4
163.11380	1.1
169.12309	2.9
171.10260	4.5
179.10742	7.3
181.12370	2.1
181.93608	1.0
183.13933	1.1
197.11819	74.9
198.12117	3.6
199.13367	1.8
207.10292	2.7
209.11765	4.3
211.13350	4.7
223.09682	1.5
225.11290	5.2
227.12833	2.0
241.10782	2.7
243.12428	2.4
253.09221	5.5
263.19977	1.7
289.17929	1.4
291.19656	3.4
309.20685	6.1
335.98801	1.0
388.48215	0.8
413.49127	1.2
420.79968	1.1
462.86371	0.9
617.99072	1.0
671.32922	1.9
751.38373	2.1
769.40063	100.0
770.40460	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	769.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77571	0.6
55.01881	1.0
57.03441	1.5
59.01381	6.9
61.98830	16.9
69.03454	3.4
71.01379	6.6
71.05013	1.8
73.02941	0.7
83.01381	0.8
83.05051	1.0
85.02943	2.0
87.00881	1.3
89.02444	2.5
95.05048	0.7
96.96009	1.8
97.06591	2.0
99.00879	0.9
101.02447	4.2
107.66605	0.6
109.06570	0.8
111.08148	3.4
112.11643	0.6
113.02434	2.3
123.08153	1.7
125.02456	0.7
125.09737	2.4
151.11287	2.2
153.09193	0.7
153.12849	2.3
161.02432	0.7
161.04547	1.6
161.09747	3.2
164.40517	0.6
167.10684	0.7
169.12312	2.6
171.10278	2.0
179.10753	7.6
181.12361	1.2
185.11771	0.8
195.10175	0.6
197.11823	100.0
198.12108	5.3
199.13370	1.2
207.10194	1.1
209.11810	7.4
211.13394	3.3
217.14398	1.8
223.09755	1.7
223.13429	0.9
225.11273	3.9
227.12888	2.3
235.08116	1.4
241.10855	4.6
241.14565	0.7
253.09264	5.6
259.15439	0.8
263.19781	0.9
273.17044	1.6
279.16074	0.8
287.16418	2.0
289.17850	1.4
291.19647	3.2
305.17664	1.0
307.19128	1.2
309.20627	2.8
327.21616	1.3
340.10571	0.6
424.52182	0.7
459.18674	1.0
477.19653	3.5
595.21216	0.8
751.39276	1.7
752.37793	0.7
769.40137	92.3
770.40369	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	769.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01380	20.1
61.98833	46.0
62.65849	0.8
71.01392	8.2
72.90846	0.8
72.99305	1.3
73.02959	2.0
80.96492	1.1
83.01370	2.3
85.02950	3.4
86.00671	0.9
87.00872	2.4
88.98787	2.0
89.02422	2.5
96.96008	1.2
99.00890	1.1
101.02433	4.1
109.02950	2.8
113.02431	2.9
119.03536	1.5
119.05045	1.0
121.02973	1.0
121.41869	0.8
123.04527	1.7
124.01665	1.2
125.02458	5.9
137.02429	2.4
140.18010	0.8
145.02913	1.3
150.03238	1.3
151.03970	1.5
152.11668	0.9
160.24303	0.8
161.02438	2.0
161.04477	1.0
165.01926	1.1
175.03952	2.0
179.03375	0.9
193.05043	0.9
203.07066	1.0
205.05055	1.3
209.11931	1.0
256.56937	1.0
267.23315	1.2
284.43161	1.0
289.07141	6.5
290.07516	1.5
317.17352	1.3
359.28027	8.0
369.66068	0.9
377.77902	1.0
401.28796	1.0
503.32233	10.9
504.32642	1.6
521.33282	24.6
522.33563	2.8
545.32910	2.4
563.34369	100.0
564.34778	14.8
599.23407	1.3
725.40106	1.4
769.34882	1.7
770.34015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.8
55.98789	1.2
57.03455	5.6
59.01379	44.8
61.98592	1.0
61.98831	12.9
68.99823	2.1
69.03456	1.4
71.01382	26.0
71.08752	2.6
71.09097	2.0
72.99316	7.5
73.02960	2.8
73.91998	1.1
75.00868	15.9
78.95911	1.5
81.03443	1.4
85.02950	30.4
87.00871	9.6
87.05294	1.3
89.02434	8.3
91.03176	1.1
93.03468	2.0
95.01392	7.4
97.02936	2.3
99.00894	13.3
99.04512	3.3
101.02431	4.2
103.00346	2.1
108.02200	1.3
109.02945	2.4
111.00881	1.4
111.09200	1.2
113.01725	2.2
113.02452	29.7
115.00364	2.9
117.01970	2.8
119.05044	1.5
123.04497	1.7
125.02450	7.9
129.01920	2.2
131.03539	1.3
133.02925	1.1
135.04482	1.3
137.02432	2.2
146.23840	1.3
149.02480	1.3
149.04539	1.1
150.03221	1.4
151.03957	2.4
161.02457	2.3
165.12805	3.8
173.04466	3.4
175.02486	2.4
175.03931	1.5
177.01936	2.2
179.03482	1.6
179.07016	1.2
182.09204	1.2
189.12878	2.6
191.05618	6.8
205.05235	1.1
205.07071	1.7
207.13849	5.3
209.11760	3.3
249.06122	14.8
267.07211	16.4
269.14084	1.6
287.05670	1.5
289.07053	4.5
309.08029	1.5
311.05630	1.5
431.11041	2.6
457.20572	2.4
459.18665	1.7
501.19794	2.0
519.20770	3.2
577.13458	3.3
593.24506	4.6
665.37195	1.9
751.26935	4.6
769.27655	100.0
770.28113	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	768.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.0
61.98830	2.3
68.99565	1.5
71.05015	0.8
78.95905	51.1
96.96996	1.5
110.82825	0.7
112.98624	1.7
115.73714	0.7
121.02962	1.0
122.00130	4.7
122.03754	1.6
134.98599	1.0
136.05237	0.9
140.01199	15.9
142.21330	0.8
151.14198	0.7
152.99596	7.2
167.14406	3.3
171.45134	0.8
185.11810	1.5
193.15880	1.1
196.03792	10.4
207.17569	1.6
209.11806	1.6
213.11255	1.4
223.20691	2.2
233.15604	1.7
249.18571	13.6
250.18938	1.4
253.09338	1.0
267.19647	98.7
268.19968	8.8
273.17123	1.5
275.16550	12.1
276.16827	0.8
277.21719	26.1
278.22113	1.0
289.07446	0.8
292.78470	0.7
293.17584	49.9
294.17868	4.9
311.18640	53.9
312.18909	3.5
393.97174	0.7
429.16895	2.0
447.17813	3.2
474.26306	4.7
475.25931	1.0
490.22055	11.5
491.22186	1.3
647.81879	0.8
750.42981	1.3
768.44543	100.0
769.44861	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	768.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33652	0.4
61.98831	100.0
69.74179	1.8
78.95947	0.3
80.96523	1.1
98.19962	0.4
153.16470	0.3
171.41798	0.4
191.65704	0.4
209.11766	0.6
210.12234	0.4
213.24150	0.4
222.34328	0.3
229.64742	0.4
306.86975	0.4
349.88315	0.3
377.68137	0.4
624.58466	0.3
768.43030	1.3
769.41974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67410	0.2
56.23170	0.2
59.01366	0.3
59.47712	0.2
61.98831	100.0
71.01381	0.2
84.48477	0.2
96.96027	0.4
119.26684	0.2
131.15718	0.2
151.14641	0.2
163.11221	0.2
171.10312	0.5
194.84268	0.2
197.11809	0.4
209.11888	0.4
211.13477	0.8
212.10286	0.2
212.13760	0.6
213.14015	0.4
223.13507	0.5
253.09433	0.3
301.74084	0.3
302.13190	0.2
406.62686	0.2
682.78851	0.2
768.39722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
61.98831	100.0
62.34541	0.2
62.98532	0.2
69.39471	0.2
88.98818	0.4
96.96014	0.2
98.19926	0.4
116.92863	0.2
124.98241	0.2
125.02435	0.3
151.03993	0.2
162.72978	0.2
171.10210	0.2
197.11824	0.4
209.11775	0.5
218.31506	0.2
253.09296	0.2
289.07300	0.3
485.26376	0.2
521.31519	0.2
769.34540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12607	0.1
59.01374	0.2
61.98831	100.0
62.98547	0.2
63.99264	0.3
70.99216	0.2
70.99539	0.2
80.96522	0.3
83.01436	0.2
88.98822	0.2
96.96023	0.3
109.03013	0.2
114.05650	0.3
116.92886	0.2
117.49942	0.1
158.42976	0.2
162.26933	0.1
168.03726	0.1
192.47504	0.1
209.11920	0.4
211.13412	0.2
217.08142	0.1
289.07309	0.3
300.88568	0.1
658.66400	0.1
768.43188	0.3
769.33099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
60.99308	14.7
61.98823	0.4
71.01389	0.5
82.09576	0.1
83.10181	0.2
85.02968	0.2
87.00874	0.6
88.00392	1.4
88.98807	100.0
89.02446	3.7
89.99143	1.1
111.16000	0.1
113.02434	0.2
129.94925	0.2
159.16495	0.2
165.04083	0.2
247.76794	0.2
677.49579	0.8
678.50299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.6
61.98827	2.2
70.36395	1.5
71.01386	2.5
73.02958	0.6
78.95924	0.6
80.96508	0.5
85.02968	0.7
89.02434	1.4
99.12903	0.4
101.02447	1.9
103.82994	0.4
113.02440	1.5
161.04527	1.2
179.05580	0.6
183.13884	6.0
184.14273	0.4
193.12292	1.5
208.06099	0.4
211.13383	100.0
212.13722	5.8
216.63982	0.4
224.13884	0.5
235.08202	2.8
253.09294	7.4
277.21707	74.5
278.22067	6.6
429.21304	1.3
447.22400	5.0
448.22690	0.6
474.22205	0.4
513.30505	1.0
529.35669	0.5
767.41187	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	767.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44445	1.3
60.03293	1.0
60.44129	1.1
61.98829	3.0
63.96231	2.6
71.01378	8.5
71.15128	2.5
73.02945	2.6
78.98586	5.3
79.95739	14.3
80.96518	73.9
85.02950	4.2
87.00850	2.9
87.33592	1.1
94.98085	15.9
96.96001	2.6
97.02931	2.0
99.00956	1.6
100.68372	1.1
101.02430	2.7
106.98062	4.0
122.97572	4.4
125.02448	2.6
134.97545	4.3
136.99100	1.2
148.99123	7.0
152.98607	6.9
164.98605	11.5
197.11789	2.1
206.99680	3.4
225.00749	19.6
255.23277	2.5
428.97046	1.3
511.18198	2.2
537.27515	1.5
679.09625	1.3
726.80170	1.4
767.42462	100.0
768.42853	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	767.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85219	1.3
57.03446	3.0
59.01382	11.2
60.41213	1.5
61.98838	8.7
69.03468	6.9
71.01388	10.3
71.05013	2.5
72.85152	1.4
72.99298	3.8
78.95908	1.9
83.05005	2.4
83.91042	1.6
85.02931	4.7
87.00854	1.7
88.98792	2.2
89.02459	4.0
95.05032	1.7
97.02933	2.3
97.06581	3.1
101.02433	5.6
109.06559	1.9
111.08131	3.2
113.02469	2.2
123.04520	2.3
123.08100	1.7
125.02445	2.3
125.09707	5.1
151.11267	4.7
153.12827	2.7
161.04619	2.2
161.09674	3.5
163.11221	1.7
165.12794	2.1
169.12253	1.7
170.22273	1.3
171.10204	2.2
177.12744	1.5
179.10788	11.9
181.12280	3.9
185.11775	3.2
191.10753	1.4
195.09993	1.4
195.13901	3.2
197.11829	100.0
198.12119	5.9
209.11873	11.7
211.13382	6.8
221.11833	10.1
222.12317	1.5
223.13370	2.2
225.11311	2.2
233.96681	1.4
235.08080	2.2
239.12842	4.9
241.10649	3.5
245.19003	1.7
253.09303	6.9
257.31244	1.7
289.07288	2.0
289.18100	2.3
291.19705	4.7
296.35583	1.4
305.17966	1.5
307.19147	4.7
309.20624	6.6
459.18732	1.6
477.19293	3.6
625.31854	2.1
651.30164	1.7
669.31097	13.3
670.31409	2.7
749.37610	2.8
767.38544	89.4
768.38953	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	767.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99969	1.1
57.03432	3.2
59.01376	8.2
61.98829	35.9
65.84673	1.2
65.99387	1.3
68.76533	1.1
69.03448	7.4
69.47786	3.2
69.48200	5.2
71.01379	8.1
71.05027	3.1
80.91679	7.4
83.05040	2.0
85.02934	3.4
87.00879	1.7
89.02447	4.6
95.01426	1.1
95.05032	1.7
97.02938	1.9
97.06602	3.5
101.02461	6.4
109.02935	1.3
109.06578	2.0
111.08167	3.3
113.02444	2.7
118.92119	1.4
123.04511	1.2
123.08179	2.2
125.02449	2.4
125.09720	4.3
137.09689	1.4
149.09682	1.4
151.11287	5.9
153.12772	2.5
161.04590	2.4
161.09663	4.5
165.12816	3.4
167.10812	1.4
167.89436	1.0
169.12331	2.0
171.10300	2.9
179.05768	1.4
179.10751	11.2
181.12315	3.7
185.11772	2.2
191.10788	2.1
195.10260	1.4
197.11832	94.7
198.12180	5.7
209.11859	10.0
211.13380	5.1
221.11743	4.5
223.09679	2.0
223.13382	3.0
225.11282	3.8
227.12793	2.2
239.12831	2.7
241.10835	6.8
241.14278	1.8
245.19119	2.1
253.09273	5.7
289.18002	5.2
291.19614	3.9
307.19266	5.7
309.20596	2.6
343.69791	1.4
459.18600	1.7
477.19595	4.6
560.50177	1.3
625.32153	2.0
669.30878	10.2
670.31299	3.0
717.37842	2.0
749.38220	3.4
767.38568	100.0
768.38770	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	767.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
57.03436	2.7
59.01387	7.5
61.98835	15.0
62.53867	1.0
66.83077	0.9
69.03445	4.4
69.65913	6.2
71.01389	6.7
71.05006	1.6
71.78923	1.0
79.74164	0.9
81.03458	1.6
83.01381	1.6
83.05022	1.5
85.02957	1.5
86.33466	1.1
87.00879	1.1
88.81438	1.2
89.02441	3.8
95.01369	1.5
95.05028	1.5
97.02937	2.6
97.06593	2.0
98.19859	1.3
101.02435	4.4
108.02188	1.3
109.06570	1.3
111.08183	1.2
113.02419	2.5
117.08392	1.0
119.65939	1.2
123.04545	2.1
123.08150	2.1
125.02401	1.9
125.09725	9.4
135.08121	1.2
137.09732	3.0
151.11304	5.2
153.12914	1.4
161.04575	1.3
161.09700	3.1
163.11276	3.7
165.12865	1.4
167.10660	1.5
171.10199	1.3
177.12665	1.2
179.10780	9.7
179.95775	1.0
185.11778	4.9
191.14371	3.7
195.10170	1.0
197.11838	55.3
198.12183	3.1
207.10220	2.5
209.11829	12.3
211.13383	2.5
217.15834	1.7
221.11935	2.2
223.09639	2.4
225.11298	2.5
227.12718	2.0
235.08217	1.6
241.10788	3.0
241.14439	2.7
245.19064	6.4
253.09351	2.9
289.18097	9.3
307.19165	6.5
477.19656	1.6
669.31000	5.9
767.38544	100.0
768.38983	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	767.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01390	5.6
61.98830	100.0
62.37015	0.8
68.15421	0.8
69.03441	4.5
70.91151	0.9
71.01369	3.9
71.04997	1.1
76.01314	0.9
83.01378	2.4
85.02973	1.5
87.00853	0.9
87.22433	0.9
89.02446	2.2
97.02981	1.9
97.06561	2.3
98.20667	2.7
99.15659	1.0
101.02436	3.3
105.65697	1.1
111.08176	1.2
113.02442	1.3
123.04539	2.0
123.08195	1.4
125.09717	4.5
151.11304	2.2
153.09135	0.9
161.09711	3.1
163.11307	1.8
166.27278	0.9
171.10274	1.8
179.10803	6.1
181.12314	1.6
185.11812	2.8
191.14343	2.0
194.29857	0.9
197.11835	37.7
198.12129	2.1
207.10152	2.5
209.11781	6.5
211.13403	6.7
212.13770	2.8
221.11862	3.0
223.09761	2.0
223.13382	5.2
225.11299	1.4
229.26799	1.1
239.12653	1.1
241.10762	2.2
241.14432	1.1
245.19083	2.7
246.19499	1.0
253.09230	4.2
289.18137	5.8
291.19565	1.3
307.19141	4.0
309.20596	1.9
325.20209	1.3
349.61670	0.9
429.45273	1.0
669.31207	3.9
767.38531	57.8
768.39191	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	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69505	0.6
57.03447	0.8
59.01380	15.9
60.99286	0.8
61.98830	53.7
69.03459	0.8
70.54021	0.5
71.01064	0.7
71.01385	7.9
71.52549	1.0
71.84791	0.5
72.99306	1.5
73.02945	2.2
81.03468	0.7
81.32412	0.7
83.01389	0.6
84.06843	0.6
85.02957	3.8
87.00838	1.6
88.98807	1.4
89.02428	1.3
91.75758	0.6
96.96023	2.2
96.96951	0.7
97.02924	1.2
99.00847	0.8
101.02444	3.4
109.02979	0.9
113.02441	2.3
119.03525	0.8
119.05029	0.7
123.04489	1.2
125.02444	3.6
137.02492	0.7
139.42009	0.6
145.02847	0.5
149.00941	0.9
151.04027	1.0
161.02440	1.5
165.01933	0.6
167.03313	0.5
171.10316	0.8
175.02464	0.6
175.03946	0.7
179.03549	0.7
185.79898	0.6
201.43120	0.5
205.05121	0.9
209.11920	1.0
223.06050	0.7
229.17970	0.9
239.90448	0.6
240.46800	0.7
276.88608	0.6
289.07199	2.6
327.25314	1.8
339.25308	1.1
357.26474	6.6
358.26746	0.8
399.27975	0.6
407.07147	0.8
425.11649	0.8
471.29742	0.7
483.29504	1.2
489.30920	2.3
501.30698	8.8
502.31107	0.9
515.31897	0.8
519.31744	25.1
520.32153	4.4
543.31726	2.4
561.32776	100.0
562.33148	15.9
597.20374	0.7
723.38458	1.4
767.36084	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	767.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
57.03442	3.7
57.12808	1.7
58.00587	4.2
59.01381	100.0
69.03466	3.5
69.22145	6.5
69.22563	9.9
71.01009	2.7
71.01384	45.2
72.99300	9.9
73.02950	43.4
81.03460	1.9
82.92727	1.5
83.01405	5.1
85.02945	25.1
86.00078	4.3
87.00877	21.1
87.04513	7.5
87.54045	2.1
89.02445	23.8
89.22568	1.8
93.72356	1.9
97.02934	3.7
98.95600	1.7
99.00877	1.9
101.02450	60.8
103.04024	19.9
109.02970	2.4
113.02436	8.9
115.04001	12.0
119.03508	8.6
122.35905	1.8
125.02461	8.7
127.03985	5.9
131.03505	17.0
143.03476	18.5
145.05061	10.4
161.04617	2.1
163.06116	47.8
173.26654	1.7
184.91313	2.1
187.06091	5.0
204.56830	1.8
205.07182	27.2
247.08212	3.9
265.09393	4.9
303.49796	1.8
311.05621	5.5
431.09802	4.2
663.32300	59.8
664.32324	9.7
681.33313	51.7
682.33624	8.1
723.34497	19.7
724.35388	3.3
767.26074	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	767.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
59.01380	14.9
60.99275	1.5
61.98835	24.4
63.97131	1.4
67.01883	7.4
69.03465	2.4
71.01382	15.7
71.53019	2.7
73.02945	3.3
81.03445	2.2
83.01401	1.8
84.04472	1.5
85.02956	13.7
87.00893	3.6
88.98809	8.8
89.02439	5.4
92.36675	1.3
93.03463	35.6
96.96056	1.8
101.02457	7.0
109.02980	4.8
111.00863	2.1
111.04511	5.5
113.02451	6.2
113.77108	1.7
117.03494	7.3
119.03604	1.6
121.02991	2.6
123.04516	7.8
125.02451	6.1
127.04084	1.9
133.02959	7.2
134.03737	7.0
135.04523	96.2
136.04863	3.2
137.02437	12.7
139.62601	1.6
145.02992	2.6
149.02420	5.9
151.03992	2.0
155.03520	5.7
160.01622	1.7
161.02428	36.5
161.04506	2.1
162.02982	2.6
163.03981	3.2
165.01897	2.2
167.03436	2.9
172.55922	1.5
173.04544	100.0
174.04872	3.7
177.02007	1.6
177.94182	1.5
179.03499	79.4
180.03833	3.4
191.05611	49.2
192.06046	1.7
197.06033	2.4
205.05063	2.0
239.07166	2.0
269.04547	4.4
281.04575	7.4
282.05270	3.5
283.06137	31.8
283.25098	1.9
284.06708	1.8
289.07196	4.3
293.04489	2.8
295.06055	2.5
311.05606	69.0
312.00589	1.6
312.05972	5.7
323.05615	6.9
335.07660	25.3
336.08121	4.3
341.06638	24.6
342.07263	2.3
353.08875	38.1
354.09131	2.5
395.07590	3.8
413.08759	19.1
431.09766	22.8
561.32324	2.9
605.14862	7.2
663.36023	3.7
678.76703	1.6
681.37280	2.4
689.89630	1.8
767.17987	30.2
767.30371	2.6
768.18237	5.7
768.80927	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	767.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
59.73502	0.6
64.79413	0.7
71.01411	0.7
71.05009	3.8
83.01385	1.3
85.02949	0.8
87.80431	0.8
95.05022	10.9
97.02956	16.3
98.20675	1.3
101.24436	0.7
107.46717	0.7
109.02962	17.9
111.98015	0.8
115.04026	2.9
116.66805	0.7
119.05061	1.3
121.02946	1.8
125.02440	4.0
133.02029	1.4
133.02965	12.8
135.04498	1.7
137.02460	2.6
139.04025	40.2
140.04384	1.7
144.56924	0.8
147.04518	1.5
148.90071	0.8
149.02415	1.2
151.00328	0.8
151.04013	1.3
153.01947	32.7
154.02306	1.2
161.02435	2.3
163.00372	1.5
163.04016	3.4
165.01930	19.2
175.04027	3.7
177.01917	1.3
179.03589	0.8
183.02991	76.2
184.03348	3.0
191.03482	2.0
193.01445	1.8
201.01964	1.8
212.04784	0.7
213.05533	1.2
225.05302	0.8
241.05087	1.1
246.63286	0.8
253.05275	1.3
255.02930	1.2
255.06682	0.7
257.04401	0.7
269.04651	1.4
284.03302	8.9
285.04044	6.2
297.04062	16.0
298.04770	9.0
299.05624	20.4
300.05887	1.3
309.04025	1.5
311.05646	2.6
319.04581	20.2
320.04956	2.1
324.02887	0.9
325.03561	1.7
327.05109	100.0
328.05435	11.3
339.05154	4.3
357.06201	25.6
358.06522	2.2
369.06284	2.0
393.06274	1.5
447.09363	94.4
448.09723	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	766.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45178	0.2
61.98830	100.0
67.59108	0.1
71.00076	0.3
86.12787	0.1
88.98812	0.3
92.07203	0.1
101.02471	0.2
108.12978	0.1
118.11378	0.2
125.02448	0.3
209.11880	0.2
221.13171	0.1
234.02852	0.1
241.44167	0.1
259.15472	0.2
275.05139	0.1
289.07242	0.2
329.86356	0.1
370.22943	0.1
563.72089	0.2
735.47107	0.2
767.35980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76667	0.3
59.01359	0.8
61.98829	100.0
64.61008	0.3
71.01392	0.6
72.99306	0.7
75.10625	0.3
79.64243	0.3
88.98808	2.2
93.01308	0.3
95.94667	0.3
113.02445	0.5
118.73119	0.3
122.85201	0.4
123.04570	0.5
137.02464	0.4
151.04076	0.3
167.89297	0.3
175.04060	0.4
197.11908	0.8
209.11919	0.8
228.14566	0.3
228.67265	0.4
259.15506	0.6
262.14069	0.3
289.07141	0.4
314.31842	0.4
449.66293	0.4
655.61237	0.4
766.38977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01379	11.4
61.98825	5.2
68.99829	1.2
71.01382	16.9
72.99309	5.8
75.00875	17.2
75.57707	1.0
79.95731	2.5
80.96515	8.5
83.04971	1.2
85.02947	21.5
87.00880	6.4
89.02439	2.2
94.98113	2.0
95.01412	5.9
96.59867	1.1
96.96009	1.7
99.00894	10.7
103.00404	2.5
111.00832	1.8
113.02451	24.8
115.00381	1.8
117.01933	2.9
122.97574	3.2
175.02510	4.2
225.00674	2.1
249.06131	2.2
255.23276	69.3
256.23648	6.2
277.21707	26.7
278.22253	1.5
324.94214	1.1
487.28659	1.5
505.29849	7.6
509.27701	1.7
527.28271	1.8
747.50104	1.7
765.40900	7.6
765.51807	100.0
766.41364	1.7
766.52258	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	765.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.5
59.28423	0.9
61.98827	7.0
62.74758	0.8
63.96225	1.1
66.12070	0.9
69.03443	1.0
71.01380	5.5
71.51721	1.0
73.02948	1.2
78.98597	3.1
79.00343	0.8
79.95732	7.7
80.96518	39.6
87.00859	2.3
89.02441	1.6
94.98077	10.5
97.02905	1.3
101.02445	3.8
106.98123	1.8
113.02462	1.0
122.97587	1.6
123.24419	0.9
134.97563	2.7
148.99124	2.9
152.98631	2.9
164.98621	9.3
183.13893	1.6
206.99707	1.7
209.11818	100.0
210.12180	5.5
225.00746	12.5
235.08174	2.3
239.85931	0.8
253.09233	7.3
255.23280	1.1
277.21710	79.5
278.22034	8.4
352.07538	0.9
406.59637	0.9
420.02878	0.9
445.20966	2.0
628.63556	1.1
682.91412	0.9
747.02960	1.0
765.40833	50.8
766.41205	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	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71748	0.7
61.98821	1.1
63.96217	1.9
69.42491	5.7
70.99075	0.7
71.01375	10.4
72.99310	1.2
73.02936	1.5
74.09329	0.7
78.95860	0.9
78.98615	7.0
79.95346	1.2
79.95740	12.3
80.96519	84.3
82.80703	0.8
84.00832	0.8
85.02942	2.7
87.00867	3.2
94.84394	0.9
94.98090	18.5
96.96013	1.8
97.02934	1.2
99.00906	0.9
101.02435	3.4
106.98100	3.8
122.97597	4.2
125.02418	3.6
129.17776	0.8
134.97557	6.4
136.99132	1.8
148.99194	5.7
150.22189	0.8
152.98660	7.7
164.98625	13.0
165.12863	1.0
165.63611	0.7
183.13867	3.1
206.99670	2.6
225.00746	28.0
255.23311	3.3
478.59842	0.9
509.16925	2.5
515.91766	1.0
537.26965	1.7
641.05463	0.8
765.40967	100.0
766.41431	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	765.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01383	7.1
59.73626	0.3
61.98832	11.8
67.90612	0.3
70.58399	1.0
71.01384	1.1
72.25111	0.3
73.02936	0.4
73.91173	0.4
83.05039	0.3
85.02958	0.4
87.00871	0.6
89.02454	1.0
95.12807	0.3
101.02441	1.4
113.02447	1.0
161.04597	0.8
167.14381	0.5
183.13910	6.1
193.12363	1.5
202.86261	0.4
209.11745	0.5
211.13394	100.0
212.13722	5.3
221.11809	0.6
223.13435	0.5
235.08194	1.4
239.13066	0.4
253.09311	3.5
285.16968	0.4
289.06717	0.4
307.19110	0.6
429.21338	1.9
447.22348	10.4
448.22748	1.2
601.55249	0.4
623.34247	3.2
624.34674	0.7
641.35492	2.7
726.24554	0.4
765.39447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
59.69958	0.6
61.98832	1.9
63.96249	1.7
69.03436	0.7
69.33453	0.9
69.33866	3.7
71.01386	7.7
73.02967	1.6
78.98596	7.6
79.95735	13.7
80.96518	82.5
81.03477	0.6
87.00891	3.2
94.98089	18.8
96.96001	1.4
97.02956	2.3
101.02445	2.8
106.98087	3.5
122.97599	4.1
125.02458	3.4
127.04029	0.8
131.00764	0.6
134.97597	5.9
136.99141	0.9
148.99146	6.4
152.98631	7.1
164.98615	15.4
183.13921	3.3
206.99678	3.4
212.67261	0.6
225.00760	21.7
226.01028	0.6
236.27780	0.7
255.23279	2.4
509.16898	2.6
537.27161	1.0
594.07355	0.6
747.41016	0.6
765.40967	100.0
766.41278	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	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.3
60.99297	1.0
61.98833	100.0
71.01390	6.1
72.99310	3.3
73.02949	0.9
75.00873	1.1
78.04163	1.1
83.05021	1.6
83.52921	0.9
85.02950	1.8
87.00896	1.7
88.98808	12.8
89.02463	5.7
99.00904	1.3
101.02469	5.2
113.02434	2.4
116.73847	0.9
116.92867	1.0
119.03513	1.5
125.02451	2.8
125.09781	1.2
155.06966	1.3
161.04497	1.3
163.04076	0.9
163.11272	1.5
167.78732	1.0
171.10214	1.2
191.14455	1.7
195.10294	1.6
209.11844	8.4
211.13361	1.1
227.12811	2.1
235.08179	1.6
245.19029	3.0
253.09337	1.6
259.15622	2.5
273.17126	2.4
289.07159	1.4
289.18121	11.6
290.18347	1.3
307.19144	15.5
308.19366	2.0
397.13510	8.6
415.14493	6.1
444.31485	1.1
533.25403	0.9
607.26160	2.5
705.34045	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	765.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.6
59.82634	0.6
61.98833	25.6
63.96245	1.8
69.25559	5.1
69.25969	1.0
71.01383	7.6
72.53249	0.6
73.02956	2.5
78.98595	6.5
79.95740	12.6
80.96522	78.8
81.03430	1.0
82.96131	1.1
85.02951	2.5
87.00854	3.3
94.97486	1.1
94.98092	17.5
96.96021	1.6
97.02962	1.6
101.02454	3.2
106.98108	3.4
108.11045	0.6
111.82940	0.7
113.02428	0.8
118.46052	0.6
122.97566	4.1
125.02462	3.9
127.04028	0.7
129.85277	0.6
131.31888	0.6
134.97583	4.7
135.80232	0.7
136.99161	1.9
148.99146	6.1
152.98639	7.0
164.98639	15.1
183.13837	2.2
188.98578	0.7
206.99614	2.9
209.11812	0.8
225.00757	22.7
226.01033	1.4
255.23291	2.1
277.21851	0.8
302.58194	0.6
313.14847	0.7
323.83984	0.6
509.16653	3.1
518.30573	0.7
537.27380	1.4
765.40961	100.0
766.41284	23.4
768.38489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00073	0.3
59.01369	0.7
60.99306	17.7
61.98834	3.0
70.63200	0.4
71.31251	0.6
84.69807	0.3
86.67012	0.4
87.00871	0.8
88.00410	2.1
88.98805	100.0
89.02448	9.2
89.03006	0.5
89.99126	1.0
101.02462	0.3
109.06612	0.4
135.92867	0.4
221.11824	0.7
223.13399	0.7
277.21555	0.6
397.13507	1.0
399.06891	0.4
402.09058	0.4
406.10828	0.4
765.38751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
59.01374	24.0
60.99290	6.3
61.98831	100.0
69.03450	4.2
69.29280	15.4
69.29684	4.7
70.94080	2.1
71.01387	20.7
72.99294	5.8
73.02929	5.5
75.00864	18.3
80.96506	2.8
86.78573	2.5
87.00870	10.5
88.98801	37.5
89.02435	13.3
97.02938	4.7
97.06602	2.7
98.19983	5.2
101.02445	11.1
109.23713	2.2
113.02444	6.5
115.00376	13.6
119.03530	3.2
123.04548	3.4
125.02411	3.6
125.09708	3.4
126.70651	2.2
143.10774	41.3
151.04010	3.3
161.04517	3.2
165.12860	3.6
171.10252	15.2
175.02472	19.2
179.10728	4.0
195.13855	2.3
197.11841	49.6
198.12277	2.9
209.11810	13.8
227.12880	5.4
235.08124	3.8
239.12706	4.0
241.10852	4.2
241.14532	4.5
273.17053	8.8
275.80725	2.6
285.13696	3.8
289.07111	3.0
307.19125	13.3
317.33621	2.8
318.91205	2.3
397.13409	10.1
415.14740	6.0
430.62711	2.3
451.52679	2.3
535.44421	2.4
607.26038	6.5
634.64923	2.9
645.31256	6.5
647.32648	22.3
648.33716	5.1
687.32373	5.4
705.33331	3.6
765.35443	85.5
766.35779	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	764.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
78.98534	0.2
79.87826	0.2
79.95721	0.4
80.96519	2.4
90.03922	0.2
94.98106	0.5
164.98637	0.3
169.52025	0.3
191.11212	0.3
223.87042	0.3
225.00772	0.7
255.23291	0.3
315.24142	0.3
411.39923	0.3
640.42371	0.3
764.39081	1.3
765.40680	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	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
60.99309	17.2
61.98833	1.3
64.52257	0.2
74.36202	0.2
87.00877	1.0
88.00412	2.9
88.98812	100.0
89.02450	10.3
89.03017	0.4
89.99153	1.0
90.02750	0.3
98.20719	0.4
101.02477	0.3
152.18849	0.2
194.95059	0.3
223.13309	0.3
272.14932	0.2
277.21637	0.4
397.13458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49367	0.1
61.98830	100.0
62.68194	0.1
62.98532	0.2
71.51847	0.1
75.00869	0.2
75.90326	0.1
79.63633	0.1
89.02441	0.1
133.58641	0.1
136.87166	0.1
175.59277	0.1
209.11894	0.2
211.13490	0.2
220.06021	0.1
257.12695	0.1
476.35400	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	763.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21384	0.6
57.73310	0.6
59.01378	16.7
60.99309	0.6
61.98830	9.0
65.26758	0.6
71.01382	2.0
72.99335	1.2
74.61552	0.5
75.00871	0.8
87.00867	1.0
88.98811	1.7
89.02451	1.9
101.02438	2.0
113.02451	1.1
116.81918	0.6
161.04535	0.7
167.14320	0.7
171.10378	0.9
179.05533	0.8
183.13882	5.9
191.60374	0.7
193.12352	1.6
211.13379	100.0
212.13730	5.4
235.08194	4.7
241.14436	95.2
242.14728	5.3
253.09270	7.2
273.17059	10.2
274.17520	0.7
355.69540	0.6
381.25754	0.6
429.21301	3.0
447.22284	10.7
477.23535	4.3
603.29968	0.6
657.12561	0.7
671.36487	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	763.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	6.2
63.96244	1.5
71.01377	6.4
71.40996	1.9
72.35857	1.2
73.02939	2.7
78.98582	5.5
79.95728	17.0
80.96519	89.6
85.02940	3.1
87.00867	3.8
90.89294	1.2
94.98095	18.9
95.28806	1.2
97.02937	2.3
101.02442	3.5
106.98067	3.6
122.97562	4.0
125.02406	3.6
127.03915	1.2
134.97624	6.9
136.99174	1.6
148.99133	5.8
152.98653	8.3
164.98651	14.2
178.05621	1.2
201.99600	1.2
206.99649	2.6
225.00751	23.5
247.39523	1.1
255.23299	2.6
293.84979	1.3
506.35336	1.4
507.15363	3.3
632.56342	1.6
763.39429	100.0
764.39740	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	763.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.7
60.99304	4.2
61.98835	100.0
63.54215	3.2
68.99564	3.9
71.01377	9.0
71.52192	3.3
72.99312	6.2
74.65633	3.7
78.88038	3.4
83.05053	4.9
88.98819	25.3
89.02467	7.9
97.02953	7.6
101.02476	5.0
105.01936	4.3
112.98590	5.9
113.02492	5.1
125.02481	5.2
135.04507	4.4
159.10263	8.4
171.10237	7.9
178.49648	3.7
181.12347	5.8
197.11795	3.8
207.10280	21.6
209.11812	37.0
211.13399	8.4
225.11322	57.0
227.12883	8.7
229.65990	4.3
253.09187	3.9
259.15503	44.4
260.15887	5.1
304.31006	3.5
397.13321	7.5
461.20358	11.5
671.32806	6.5
703.35358	14.6
763.38208	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	762.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56097	0.2
59.01392	0.3
61.98830	100.0
62.98528	0.2
63.40150	0.2
64.46037	0.2
65.60045	0.2
70.93108	0.4
79.95768	0.2
80.96513	1.0
90.04512	0.2
208.80542	0.2
209.11836	0.4
225.00885	0.2
255.23340	0.8
256.23621	0.5
487.18127	0.2
492.62671	0.3
532.37122	0.2
625.63940	0.2
699.45081	0.3
763.39447	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	761.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.3
61.98837	100.0
184.62474	15.3
197.11792	30.8
227.12915	20.2
255.23262	52.2
277.21799	26.4
406.63052	15.6
761.40802	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	761.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90358	12.9
57.01579	14.7
57.61025	12.6
59.01405	12.6
61.98839	77.9
69.22166	100.0
69.22576	22.8
72.35791	13.0
88.98765	15.5
93.08556	12.6
98.20638	25.9
124.65110	12.4
144.56068	12.4
165.50609	12.4
185.11815	34.7
201.66988	11.3
209.11687	16.0
211.13396	52.9
253.34833	12.4
255.23210	13.2
277.21667	83.4
377.02206	15.9
405.88348	13.4
447.32455	17.4
761.43542	30.4
762.43951	16.5
794.56018	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	761.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02999	2.6
59.01366	11.7
61.98833	38.0
69.03435	3.1
71.01379	4.5
72.99327	3.9
83.05015	4.2
87.00865	3.9
88.98835	6.1
89.02451	3.2
96.95996	2.8
98.60276	2.7
101.02457	3.3
101.06094	2.5
114.60556	2.8
116.92796	2.7
125.09701	5.3
167.10753	4.2
195.13847	6.0
205.12312	8.7
209.09909	4.7
209.11850	74.7
210.12158	6.6
211.13307	3.0
222.85065	3.0
223.13403	100.0
224.13644	5.4
227.12917	13.7
235.08226	5.9
253.09193	9.3
259.15479	25.1
353.61807	3.0
408.76727	3.0
445.20377	3.6
459.22281	17.7
507.46658	2.9
558.23865	3.0
651.33661	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	760.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03963	0.2
61.98832	100.0
69.41660	1.4
69.42076	0.3
80.96539	1.0
83.43295	0.2
98.85088	0.3
113.11886	0.2
145.44383	0.3
188.23085	0.2
190.70114	0.3
197.35954	0.2
225.00894	0.3
255.23257	0.4
293.17578	0.3
325.20438	0.6
761.41992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	0.8
59.01376	11.0
61.86118	0.9
61.98825	9.1
62.73824	0.9
69.21497	8.2
71.01373	9.5
72.99316	1.5
73.02948	2.4
76.17717	1.0
83.01365	1.5
85.02950	3.6
87.00864	1.1
88.60289	1.1
89.02444	3.7
93.03438	2.5
96.96007	0.9
101.02444	4.9
108.02145	1.5
109.02946	4.0
113.02442	3.9
119.03471	2.4
119.05043	1.5
121.02953	10.1
122.03004	1.1
122.03746	10.0
123.04500	3.3
125.02453	2.6
132.02171	1.7
133.02931	2.8
134.03725	2.6
135.04485	3.9
136.01677	1.5
136.05295	13.4
137.02463	1.3
137.06044	2.6
145.02890	2.0
147.04489	1.3
149.02437	29.2
149.06064	1.3
150.03221	71.8
151.04010	4.8
159.77811	0.8
160.01692	1.7
161.02420	2.6
161.04565	2.2
161.05962	0.9
162.03198	1.2
163.03983	2.0
164.04787	7.4
165.05565	52.2
166.05901	1.6
175.03958	1.9
177.01833	0.9
177.05540	2.9
180.04291	3.3
181.04955	2.5
189.12811	2.7
195.06615	54.3
196.06963	1.4
203.07156	1.1
204.79655	0.9
205.04984	1.5
209.08156	1.0
221.36955	0.8
237.07806	1.2
243.02991	1.8
249.07649	2.7
255.06833	1.1
270.09021	1.4
274.79172	1.0
283.07080	1.0
283.09778	3.6
284.10306	1.8
289.07040	1.8
299.09210	1.7
301.10611	1.1
310.08298	2.1
311.09299	12.1
312.09677	1.4
325.10797	8.6
343.11838	100.0
344.12076	7.2
355.11783	2.3
356.42224	1.0
357.13168	1.1
373.12762	1.8
381.09888	1.8
385.12991	1.1
387.20184	2.2
391.14063	12.3
565.26581	8.5
566.26617	1.3
713.31818	25.9
714.31860	4.1
761.32965	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	760.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
66.11884	0.4
69.29150	0.4
69.29485	3.9
71.01396	0.6
78.95923	0.8
78.98622	0.6
79.95745	0.6
80.96523	3.7
90.39423	0.4
94.98108	1.5
144.76280	0.4
164.98665	0.8
225.00783	1.2
255.23219	0.6
312.08780	0.5
325.20224	0.4
677.74194	0.4
761.27966	0.9
761.41003	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	759.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72882	1.2
59.01380	10.0
61.98838	6.8
63.00903	1.2
70.77925	3.4
71.01383	2.9
78.95908	2.3
80.44297	1.1
99.00872	3.1
101.02451	2.4
127.28442	1.2
163.11314	2.2
181.12347	6.6
195.94162	1.3
207.10255	18.2
223.13338	3.7
225.11328	40.8
226.11867	2.3
235.08252	3.4
243.12344	3.7
253.09171	2.4
255.23300	100.0
256.23688	7.1
259.15466	1.7
271.20956	1.5
281.24817	4.7
290.52142	1.3
436.82236	1.3
443.19095	4.7
461.19974	4.3
468.56650	1.5
593.89844	1.4
635.86407	1.4
686.44379	3.2
699.43384	19.7
700.43512	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	759.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83858	3.6
59.01376	7.4
59.89417	3.6
61.98832	100.0
62.65549	4.3
70.99400	9.5
78.95924	7.1
82.38171	4.1
101.14822	4.3
110.05820	3.9
125.09744	4.9
195.89836	3.8
201.11385	7.6
209.11783	6.9
227.12897	26.5
240.14157	4.4
255.23390	5.7
263.09155	5.9
277.21683	35.6
279.23343	4.6
457.51611	4.7
466.30090	4.2
474.31125	4.1
575.78998	4.3
709.45129	10.2
723.43402	5.8
759.40509	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	759.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
59.23777	2.7
59.26026	2.6
61.98836	100.0
69.69170	3.0
71.50812	2.9
89.02470	3.9
111.17571	3.1
123.25459	3.5
144.74950	3.1
166.61655	3.0
209.11848	92.9
210.12183	5.3
219.10007	7.2
227.12935	16.7
229.09502	4.0
235.08110	3.4
253.09325	7.5
263.08951	18.2
277.21732	46.7
278.21994	5.8
459.18314	3.8
623.15179	3.6
759.41388	17.6
760.41315	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	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	21.1
61.98833	100.0
63.25741	4.2
69.38232	38.5
78.95896	14.3
89.02482	6.5
94.41797	4.4
95.68507	5.0
103.85484	4.5
123.04533	7.5
125.02480	9.5
137.02455	6.0
151.03990	21.0
152.99586	8.2
227.12898	46.5
255.23239	13.3
258.60150	5.2
277.21741	27.8
289.07089	20.3
345.16495	4.6
463.21616	9.6
543.30206	5.2
737.20789	6.4
759.41437	17.4
760.41711	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	759.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	19.1
62.27431	14.4
75.46564	13.5
203.54311	12.7
209.11861	100.0
211.07909	13.5
227.12767	27.3
229.27466	18.0
255.23331	40.9
277.21796	67.7
439.55090	14.5
445.20651	14.2
594.30780	15.5
617.32098	14.7
649.96655	14.4
745.82330	15.3
759.43408	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	759.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32520	9.5
56.68756	9.7
59.01374	13.3
61.98812	13.6
68.78218	12.3
71.17776	12.3
87.13255	9.8
121.20453	12.7
129.52969	12.4
176.25706	11.3
196.87550	12.5
209.11790	71.8
227.12828	25.9
251.47911	13.9
255.23108	14.3
277.21680	100.0
278.22052	20.9
279.09174	11.3
330.85944	10.7
759.40997	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	759.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95043	2.2
59.01389	2.5
59.36845	2.0
61.98832	100.0
71.01402	3.1
78.95878	2.1
87.98327	2.4
97.17306	1.9
98.20633	6.3
154.80449	2.0
209.11832	42.0
227.12964	13.5
234.40149	2.2
235.08188	6.4
253.09209	6.2
277.21729	58.8
278.22031	4.6
299.47760	2.3
327.47952	2.2
464.12463	2.3
470.47522	2.4
653.64374	2.2
723.43158	2.5
725.50220	2.5
759.41095	12.8
760.41846	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	759.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69872	3.3
56.13386	3.5
59.01388	25.2
60.99311	5.8
61.98830	86.5
62.87202	3.3
70.00047	5.7
70.00426	7.9
71.01390	10.7
72.99306	8.0
73.02934	5.5
83.01419	4.4
83.05048	3.7
83.81301	3.0
85.02970	4.1
87.00860	7.5
88.98811	47.8
96.96034	6.7
101.02457	7.8
109.03001	6.0
113.02442	9.1
121.02970	8.0
121.65680	3.9
123.04531	6.8
125.02411	12.1
133.02975	4.4
134.03755	5.3
137.02446	6.7
145.02960	7.2
149.02531	18.3
150.03239	12.7
151.04024	9.8
153.67670	3.7
161.02434	5.5
161.04622	4.3
163.04044	4.3
165.05545	10.8
166.05948	3.6
175.04074	8.2
195.06654	12.8
201.11278	28.8
205.05083	8.9
209.11835	100.0
210.12079	6.9
215.84656	3.3
227.12859	23.9
235.08240	5.9
249.97173	3.5
253.09290	15.0
258.95453	3.9
259.15442	14.3
270.21475	4.1
279.17587	3.7
289.07132	10.1
311.08853	3.9
341.06641	4.2
343.11826	20.9
357.13187	4.4
391.13651	4.4
437.20361	4.1
445.20734	14.4
629.31097	7.7
711.30457	4.2
759.35510	34.0
760.36542	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	759.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.1
61.98834	2.9
68.81236	1.4
68.99815	3.8
69.18054	3.5
69.18465	13.6
71.01379	4.3
72.99322	9.9
73.02947	1.6
81.03458	8.2
83.01390	5.8
85.02969	2.5
87.00878	17.9
89.02399	2.0
93.03441	7.3
95.01393	3.1
95.05029	4.3
97.02946	4.6
98.20625	2.5
99.04525	3.3
103.00382	4.7
106.26557	1.4
107.05030	4.4
109.02941	4.6
111.04551	3.6
113.02461	3.5
119.05038	20.0
121.02972	4.0
123.00849	1.6
123.04549	15.0
125.02441	15.5
135.04533	11.0
137.02455	7.9
137.06081	6.1
139.03990	10.6
141.75113	1.4
147.04532	4.0
148.99744	3.1
149.00931	55.4
149.06113	2.2
150.01193	2.1
150.03258	2.4
151.03984	4.6
153.05534	1.7
155.03552	2.1
161.06140	1.6
163.04005	7.8
164.04855	3.7
165.01952	4.4
165.05557	5.4
166.02705	3.1
167.03499	22.5
173.04536	11.1
177.05504	3.5
178.02711	1.7
179.03535	10.2
180.04306	3.5
181.04955	2.3
189.05574	3.1
191.03654	3.4
191.05478	1.8
193.05154	2.9
197.04630	4.9
202.08031	1.3
207.03036	3.8
207.06630	2.0
209.04565	20.2
219.02988	1.8
221.04486	3.5
229.08719	3.2
234.05281	1.6
239.05592	10.6
269.06537	1.9
353.08746	5.0
357.09705	1.7
435.12921	3.2
461.14413	1.7
477.14017	12.0
478.13934	2.0
489.14066	4.9
507.15112	3.9
519.15082	100.0
520.15424	13.9
531.15137	4.4
549.16180	74.0
550.16608	11.0
561.16003	4.9
579.17139	19.3
580.17828	3.6
591.17383	2.7
609.15869	1.6
621.18268	12.0
639.19153	20.2
640.19824	3.8
651.19159	5.8
669.20599	3.6
741.22144	2.3
759.23853	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	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72764	19.1
61.98829	32.4
65.42236	22.4
68.96423	17.0
110.46229	19.1
111.54131	21.8
128.05829	19.1
152.97104	25.6
187.29631	20.8
207.10213	31.1
225.11311	100.0
244.25221	19.3
255.23335	33.7
259.15381	33.0
277.21640	67.2
278.22009	25.4
425.15442	20.0
461.20599	34.3
721.41486	25.0
757.39716	64.3
758.39996	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	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01114	6.9
59.01370	8.6
61.98832	16.4
62.43466	7.2
65.11416	8.8
71.38338	19.2
78.95879	8.6
105.75318	8.6
133.17195	7.6
199.13370	21.4
209.11786	46.3
211.86089	7.5
213.14796	7.5
225.11353	30.5
255.23244	21.6
261.17038	9.1
277.21729	100.0
278.21964	11.1
359.85382	8.0
684.43054	9.9
721.41937	11.7
732.77277	9.2
757.39221	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.8
61.98833	100.0
69.29771	4.1
71.01381	5.3
82.21027	4.0
82.95417	4.6
83.56028	3.8
90.51118	4.0
91.13349	4.0
97.06604	5.2
98.19852	7.8
115.41540	4.2
125.02460	7.9
151.03993	5.0
161.60326	3.9
169.12430	6.1
169.38937	4.0
171.10310	5.5
185.11800	4.6
197.11826	8.5
197.23541	4.1
201.11252	6.1
209.11792	36.0
211.13423	55.8
227.12842	6.7
253.09200	10.7
254.82413	4.3
259.15472	6.8
309.20505	5.9
313.25821	4.1
327.21652	13.6
349.48660	3.8
382.88818	3.8
385.60208	3.8
429.46060	4.0
447.22333	7.1
463.60132	4.1
659.32178	6.3
737.77423	5.7
757.37964	29.8
758.38287	5.1
785.38049	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	757.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.1
59.01376	1.5
61.98816	1.0
64.04665	0.8
65.03963	1.1
67.01900	1.0
81.03467	2.4
83.01375	6.7
83.05064	0.9
93.03443	2.2
95.05053	1.0
97.02958	2.6
98.20745	2.1
101.02437	0.8
107.05024	6.0
109.02950	15.3
117.03519	1.0
121.02948	2.0
123.04526	7.5
125.02448	100.0
126.02802	3.6
133.02946	4.7
134.03767	1.0
135.04524	34.1
136.04906	1.3
137.02440	12.4
139.03995	1.7
147.04558	1.4
149.02458	4.0
150.03194	0.9
151.04010	28.2
152.04356	1.8
159.04472	4.4
161.02438	28.4
161.05975	1.9
162.03075	1.8
163.00357	1.8
163.04004	3.5
164.01120	3.9
165.01947	4.7
167.03497	1.4
173.06033	1.5
175.03990	5.9
175.07634	1.3
177.01981	4.7
177.05556	2.6
179.03526	5.8
183.04356	0.9
187.04016	4.0
188.04778	2.2
189.01881	1.7
190.02745	1.8
191.03459	2.8
199.04146	1.1
199.07674	0.8
201.05524	3.2
203.03516	3.6
203.07130	4.9
205.05086	4.9
213.05673	1.0
215.03467	1.9
219.06499	1.8
225.05611	1.4
227.03568	1.4
228.04312	1.6
229.04951	2.2
231.06512	1.1
243.03036	1.5
243.06480	1.2
244.03271	1.1
245.04535	13.9
245.08192	5.6
255.02965	5.4
256.03625	2.7
257.04520	1.9
269.04486	1.2
271.02533	2.9
271.06094	3.2
272.02765	1.7
273.03937	2.6
281.04520	5.7
285.04047	1.7
287.05606	26.0
288.05954	1.6
289.07153	27.0
290.07434	1.4
299.05621	3.1
300.02835	3.0
301.03152	2.3
302.03149	2.2
305.06628	17.6
306.07043	1.4
313.07202	9.4
315.08771	1.5
331.08301	1.2
339.08707	2.7
341.06882	1.5
381.09738	2.5
407.07721	30.1
408.08023	4.3
423.10303	0.9
425.08752	19.3
426.08975	2.4
433.09204	8.8
435.07095	2.8
451.10291	13.4
452.10458	2.1
453.08160	2.3
467.09821	10.9
468.10086	1.3
487.96823	0.9
577.13306	7.6
578.13678	1.0
587.12280	1.8
591.34119	1.1
603.15161	1.8
605.12976	5.8
757.18707	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	757.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.6
59.01374	1.1
65.03965	1.6
69.57875	5.0
81.03458	2.5
83.01390	5.8
83.05029	1.1
93.03471	1.6
95.05046	0.8
97.02952	2.3
105.03477	1.0
107.05023	6.2
108.02196	0.9
109.02956	20.6
117.03458	0.8
121.02964	3.0
122.03757	1.5
123.04519	11.2
124.01633	0.8
124.04784	0.7
125.02451	100.0
126.02786	3.1
133.02953	5.1
134.03679	1.1
135.04530	38.9
136.04871	1.5
137.02454	13.6
139.04007	1.1
145.03008	1.2
149.02475	5.4
149.06094	1.1
151.04004	32.8
157.06639	0.9
159.04553	3.6
161.02441	30.6
161.06129	2.1
162.03162	2.3
163.00401	1.8
163.03984	4.7
164.01155	2.7
165.01878	3.6
173.06042	1.9
175.04015	8.4
175.07626	1.3
177.01898	4.5
177.05565	2.7
178.02432	1.1
179.03471	5.7
187.04018	5.2
188.04814	1.7
189.01929	2.7
190.02641	1.6
191.03470	2.6
201.05563	4.0
203.03474	4.0
203.07190	3.9
205.01407	1.7
205.05019	5.0
213.05493	1.4
215.07343	0.8
217.05054	1.9
217.08551	1.3
219.02943	1.3
219.06551	1.7
221.08183	1.6
227.03423	1.4
227.07100	1.2
229.05009	1.7
241.05022	0.8
243.02977	2.9
243.06552	1.2
245.04539	14.4
245.08151	5.8
253.05077	0.9
255.02998	6.5
256.03580	3.2
257.04572	1.5
269.04639	2.4
271.02493	2.4
271.06134	4.1
272.02859	2.1
273.03897	2.1
281.04492	6.1
282.05072	1.8
283.02698	1.0
283.06091	0.7
285.04037	1.8
287.02353	1.0
287.05609	26.1
288.06073	3.1
289.07172	28.1
290.07623	1.8
299.05612	5.0
300.02798	3.3
301.03009	3.0
301.06613	1.3
302.03491	2.1
305.06647	20.2
306.06857	1.1
311.05829	1.2
313.07178	9.9
315.08713	1.0
331.08118	1.0
339.08713	2.7
341.06519	1.1
379.73801	0.7
381.09738	4.9
407.07669	30.0
408.08060	4.7
409.09229	1.2
425.08752	21.0
426.09003	3.3
433.03738	1.3
433.09259	9.8
434.09549	2.3
435.07181	2.3
451.10284	13.4
452.10452	2.1
453.08383	2.7
467.09821	10.9
468.10211	2.1
493.11490	1.4
559.12756	1.3
561.13995	1.0
577.13483	7.3
578.13745	1.5
587.12061	3.0
603.15295	2.3
605.13068	5.2
606.14294	0.9
739.17090	1.1
757.20093	6.2
758.18164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
60.25403	0.1
61.98832	100.0
62.98527	0.1
63.90517	0.1
63.99259	0.3
67.66427	0.1
69.72475	0.1
90.42297	0.1
125.09748	0.2
197.11861	0.4
198.12204	0.4
201.11284	0.1
209.11879	0.1
255.23503	0.1
259.15588	0.1
277.21799	0.5
278.22153	0.4
279.23148	0.2
355.50433	0.1
491.83472	0.1
492.64362	0.1
536.61646	0.1
559.14636	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	755.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06016	0.3
57.03434	0.3
58.00615	0.4
59.01380	6.4
61.98833	4.5
62.32541	0.3
63.54551	0.4
69.03463	0.4
71.01380	3.2
71.51752	0.6
73.02946	1.1
75.00896	0.3
78.95898	0.6
83.01392	0.4
85.02956	0.9
87.00872	2.1
89.02470	1.9
89.14525	0.3
93.73344	0.3
95.01382	0.4
97.02960	0.4
97.06584	0.3
99.25990	0.3
101.02435	2.9
109.06548	0.4
113.02471	1.7
117.58813	0.3
119.03532	0.7
123.31873	0.3
125.09701	0.7
127.11330	0.6
133.05051	0.3
139.11311	0.5
145.05089	0.8
155.10800	1.0
161.04523	1.8
165.09135	0.8
181.12349	1.2
183.10280	5.4
197.11790	0.5
199.13403	19.3
200.13719	0.9
201.11324	1.4
209.11781	2.9
215.12917	0.4
227.12862	2.5
235.08232	8.3
236.08444	0.4
253.09280	13.4
254.09541	0.5
255.23352	2.0
259.15491	61.9
260.15796	3.6
277.21713	100.0
278.22070	9.1
279.23260	0.7
435.21909	0.5
438.40689	0.4
459.34674	1.0
495.24393	0.7
513.30420	0.4
519.36798	1.2
755.42285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25877	0.2
57.03423	0.4
58.00586	0.4
59.01104	0.3
59.01379	3.5
61.98833	3.9
62.70996	0.2
71.01385	2.8
73.02949	0.3
78.95889	0.4
81.65739	0.2
83.01392	0.5
85.02933	0.6
87.00883	0.5
89.02444	2.3
97.42067	0.2
101.02452	2.3
109.06594	0.3
113.02470	1.2
119.03479	0.9
125.09710	0.8
127.11269	0.9
137.09698	0.6
139.11278	1.1
143.03497	0.3
153.09126	0.2
155.10767	1.8
157.12296	0.4
161.04616	1.1
163.11253	0.2
165.09209	1.2
165.12839	0.9
169.12469	0.3
175.23241	0.2
179.05547	0.3
181.12418	0.5
183.10251	8.5
184.10646	0.4
185.11821	0.4
191.10745	0.6
199.13393	4.2
201.11302	1.6
209.11826	4.0
219.91353	0.2
225.11331	0.6
227.12848	2.9
228.42970	0.2
235.08232	2.3
241.14488	0.5
253.09279	12.9
254.09557	0.7
255.23285	1.0
259.15485	100.0
260.15820	6.2
277.21713	61.1
278.22028	5.6
362.20587	0.3
460.98267	0.2
477.23303	0.3
495.24408	1.9
519.36914	3.5
520.36926	0.5
636.84271	0.2
755.42334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
59.01382	4.3
61.98824	0.6
70.63062	0.6
70.63397	0.4
71.01387	3.4
73.02946	0.8
78.95906	0.4
83.01395	0.9
83.05015	1.0
84.02161	0.4
85.02934	0.8
87.00872	0.9
87.32705	0.3
89.02445	2.6
95.01407	0.3
99.00896	0.4
101.02460	3.2
113.02449	1.8
119.03538	0.7
125.09759	0.6
127.11287	1.3
129.96655	0.3
133.05049	0.5
139.11278	0.5
145.04996	0.5
153.09283	0.3
155.10774	1.1
157.12352	0.8
161.04538	1.2
163.11252	0.7
165.09187	1.0
165.12894	2.0
170.33878	0.3
181.12325	0.6
183.10245	5.7
183.62090	0.3
191.10741	0.6
201.11322	1.4
209.11832	21.2
210.12125	1.3
227.12894	1.9
235.08228	6.0
236.08359	0.4
241.14417	0.8
253.09290	13.2
254.09767	0.6
256.15967	0.3
259.15491	100.0
260.15839	6.5
277.21719	79.4
278.22092	7.0
477.23569	0.4
495.24530	2.2
513.30878	0.4
519.36945	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	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.6
61.98830	3.1
70.58317	0.7
70.58647	1.2
71.01372	5.2
71.05023	0.5
71.54240	0.5
72.99316	3.4
73.02947	1.7
83.01387	0.9
85.02950	2.0
87.00879	1.2
89.02444	3.3
90.48135	0.6
91.29086	0.5
95.01366	0.6
97.06664	0.7
99.00870	0.6
101.02445	3.9
106.70215	0.5
106.98463	0.6
113.02464	2.3
119.03527	0.6
123.99037	0.6
125.09791	0.7
127.11292	0.9
131.03525	0.6
139.11290	0.9
141.12860	2.3
145.05052	0.7
153.12848	1.1
161.04544	2.0
169.12338	2.3
171.10222	4.4
179.05591	0.9
179.10727	1.0
185.11835	1.3
197.11855	7.9
199.09828	1.2
201.11340	0.9
209.11903	1.2
213.11343	1.9
215.12868	100.0
216.13295	3.9
235.08214	11.7
239.12891	0.6
241.10829	0.6
249.18619	0.9
253.09283	16.2
253.11864	1.1
259.15469	0.7
277.21710	97.8
278.22101	8.5
316.13919	0.6
433.20581	2.6
451.21680	3.4
475.35123	0.7
506.60208	0.6
513.30652	1.8
695.39325	0.6
737.41241	3.2
738.41473	1.0
755.42145	16.2
756.42841	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	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21938	0.3
57.03454	0.4
58.08786	0.3
59.01380	5.8
61.98827	1.0
63.67015	0.4
71.01389	3.9
71.05031	0.7
72.21848	0.3
72.99316	0.9
73.02938	0.9
82.32851	0.3
83.01391	0.5
83.05010	0.4
85.02966	1.1
87.00890	0.8
89.02436	2.3
101.02455	2.8
106.08703	0.4
106.58669	0.4
110.14577	0.3
113.02460	1.8
119.03513	0.6
123.08192	0.4
125.09703	0.9
127.11270	1.5
137.09718	0.3
141.12837	0.5
142.45955	0.4
153.09184	0.7
153.12891	0.8
155.10747	0.9
161.04590	1.8
168.60397	0.3
169.12344	0.7
171.10265	7.2
179.05652	1.5
179.10776	1.2
181.08716	0.4
185.11827	1.2
197.11803	8.2
198.12096	0.4
199.09749	4.1
209.11830	0.8
211.13382	1.5
212.13753	0.7
213.11371	3.1
215.12865	100.0
216.13251	5.3
235.08205	1.2
241.10835	0.7
253.09277	10.7
277.21716	41.9
278.22110	3.9
291.19601	0.7
292.19983	0.8
297.02890	0.4
372.68066	0.4
433.20883	1.8
434.21524	0.5
451.21851	8.0
452.22131	1.1
457.32898	0.6
475.34375	1.1
585.96143	0.4
695.40887	0.5
700.63416	0.5
711.42249	0.7
737.41486	2.5
755.42139	14.1
756.42700	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	755.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
62.20244	0.5
62.28344	0.5
71.01371	1.1
73.04712	0.6
84.60130	0.6
85.02948	0.7
86.50049	0.6
87.85894	0.6
89.61658	0.7
101.02396	0.7
109.02937	2.2
113.02447	0.9
120.62367	0.7
121.02886	0.9
125.02434	2.7
132.99146	0.6
133.02945	11.5
133.72603	0.7
135.00822	0.8
135.04544	1.7
137.02383	1.0
137.84859	0.6
143.86922	0.7
145.02888	0.7
149.02408	0.9
151.00258	0.7
151.04008	1.2
161.02368	1.3
163.00317	1.3
163.03975	2.3
165.01930	1.5
175.04012	2.9
177.01901	1.1
191.03516	1.6
191.05469	0.9
193.01338	1.4
199.04004	1.3
201.01889	0.9
203.03506	0.9
211.03987	0.7
213.05484	1.1
225.05536	1.0
253.04959	0.8
254.31367	0.7
255.02951	1.4
255.06503	0.9
257.04102	0.7
269.04529	0.8
284.03217	8.5
285.03934	7.4
289.07214	0.7
293.04559	0.8
297.03998	14.1
298.04749	8.3
299.05576	17.6
300.02652	0.8
300.05716	0.8
309.04108	0.7
311.05551	2.8
327.05066	100.0
328.05457	8.4
339.04971	3.3
341.06937	0.8
357.06134	25.8
358.06546	2.2
369.06207	2.6
384.79224	0.6
393.05884	1.3
426.31204	0.7
447.09296	93.3
448.09625	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	755.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35530	0.5
56.93284	0.6
59.01387	1.0
62.81307	0.5
65.00317	1.0
65.05319	0.5
69.69618	2.6
69.70031	1.1
71.01382	0.6
72.37866	0.5
73.02929	0.5
89.02385	0.5
107.01402	1.7
108.02166	1.3
119.29895	0.5
125.02453	1.2
135.00851	0.8
137.02406	0.7
148.01631	1.2
151.00351	5.4
163.00327	0.9
177.01945	0.7
178.99861	4.2
198.03261	0.6
199.03931	0.8
201.02051	0.6
201.23793	0.6
216.04156	0.8
226.02669	1.5
227.03511	2.9
243.02960	10.9
244.03485	1.0
254.02165	1.5
255.02969	27.4
256.03430	1.8
256.24203	0.6
271.02466	61.7
272.02890	5.5
299.02054	3.2
300.02731	100.0
301.03278	11.5
308.59454	0.5
318.06177	0.6
443.54572	0.5
448.78769	0.6
488.63641	0.6
755.20349	60.2
756.20715	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	754.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41586	0.1
59.01380	0.6
59.88461	0.2
61.98830	100.0
69.31874	1.3
77.07544	0.2
80.56105	0.2
98.19944	0.4
157.71817	0.2
167.15012	0.2
195.10271	0.5
196.10617	0.6
197.11880	1.6
198.12221	0.8
209.11797	0.2
216.46411	0.2
255.23358	0.3
277.21701	1.7
278.21988	0.9
279.22656	0.2
297.84430	0.2
311.03531	0.2
325.32541	0.2
355.21701	0.2
385.23798	0.2
439.46243	0.2
457.58624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34888	0.2
55.72689	0.2
59.01377	2.1
60.01699	0.3
60.22628	0.2
61.98832	100.0
64.63583	0.2
71.01411	0.2
78.95914	0.3
89.02452	0.3
117.88337	0.2
119.84471	0.2
126.68010	0.2
161.04514	0.2
169.12415	0.6
195.10315	0.8
196.10670	0.3
197.11845	11.2
198.12189	4.1
198.13910	0.3
235.08324	0.3
253.09320	0.8
255.23378	0.3
261.98898	0.2
277.21744	4.8
278.22098	3.5
348.86703	0.2
359.96500	0.3
433.20728	0.4
434.21414	0.5
754.39728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51718	0.1
59.01370	0.3
61.40211	0.1
61.98829	100.0
62.98537	0.2
67.97036	0.1
71.01394	0.1
71.43366	0.2
71.43726	0.2
78.95920	0.2
80.96539	0.2
96.72511	0.1
96.96029	0.3
96.96972	0.1
98.31979	0.1
108.54846	0.1
121.29076	0.1
125.02475	0.2
137.16528	0.1
160.12535	0.1
170.69379	0.1
171.10283	0.2
209.11859	0.6
327.21698	0.2
403.47961	0.1
581.40851	0.2
754.34546	0.3
755.36090	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51227	0.4
55.61065	0.4
59.01071	0.5
59.01379	14.5
61.98830	46.5
69.03448	0.7
71.01381	2.3
73.02937	0.5
78.95918	0.8
80.85729	0.4
80.96500	0.5
85.02950	0.7
87.00862	1.0
89.02457	1.4
97.06610	0.5
101.02438	2.4
113.02451	1.5
134.27351	0.5
151.11252	0.6
152.57668	0.5
153.12828	0.7
161.04610	0.9
169.12349	4.6
177.09135	0.6
179.05309	0.4
179.10713	0.5
195.10220	3.1
196.10620	1.6
197.11830	100.0
198.12183	5.2
229.13460	0.7
235.08246	1.7
253.09290	6.8
254.09581	0.5
255.23254	0.4
259.20480	0.6
277.21716	71.7
278.22052	8.9
279.22452	1.2
400.11661	0.4
415.19681	0.9
433.20740	4.2
513.30450	0.8
591.82660	0.4
693.42847	0.6
753.42468	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	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74496	0.8
55.01848	0.8
57.03446	1.7
59.01376	7.7
60.53934	0.7
61.98810	0.6
69.03456	5.5
69.17632	1.3
69.18040	5.8
71.01369	7.1
71.05018	2.0
73.02906	0.7
81.03435	0.9
83.01385	1.4
83.05037	1.3
85.02946	0.9
87.00859	1.8
88.00394	0.9
89.02454	3.8
89.42893	0.7
97.06574	1.9
98.20615	1.2
99.00917	0.8
101.02462	3.5
104.22335	0.7
111.08150	0.8
113.02428	1.9
121.86669	0.7
123.04516	0.7
123.08141	1.7
125.09705	2.3
149.09731	0.9
151.11296	3.3
157.95949	0.7
161.04539	1.7
161.09755	3.4
161.91336	0.7
163.11238	0.7
165.12808	1.2
171.10219	2.2
179.10750	8.7
181.12331	1.3
195.13855	6.0
196.14502	0.7
197.11832	52.0
198.12189	2.7
205.12224	0.9
209.11818	25.6
210.12207	1.2
211.13293	1.2
223.09766	0.8
223.13379	3.2
225.11406	0.7
227.12862	4.7
228.13286	0.9
235.08189	1.0
241.10855	2.4
245.19005	1.3
253.09302	4.2
255.92274	0.8
263.20123	1.3
275.20154	3.9
289.18063	3.2
293.21219	20.9
294.21616	1.7
307.19125	6.8
308.19373	0.8
423.49155	0.7
445.20966	1.0
459.18463	1.1
477.19727	1.6
492.74301	0.9
735.38623	0.7
753.40625	100.0
754.40967	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	753.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01371	6.0
61.98830	3.6
69.03461	1.7
71.01389	6.1
71.06746	1.3
83.05021	3.3
84.02145	0.8
85.02957	1.6
87.00909	1.2
89.02441	2.4
89.06772	0.8
91.74595	0.9
95.01387	1.5
95.05015	1.5
97.06608	2.5
99.39137	0.9
101.02469	2.4
103.62843	0.8
109.02917	1.1
109.06612	2.5
109.21154	1.0
111.08145	1.8
113.02499	2.2
123.04597	1.3
125.02456	1.5
125.09681	1.1
151.11299	3.4
153.09267	0.9
161.04515	1.2
163.11322	4.9
165.12790	4.6
169.12358	1.2
171.10287	3.2
179.10829	1.2
181.12361	4.3
185.11974	1.1
191.10754	2.7
191.14664	1.0
197.11832	4.0
198.12207	1.2
199.13518	1.6
202.69510	1.0
207.10248	2.8
209.11830	100.0
210.12190	5.5
211.13379	4.0
225.11369	3.7
227.12880	16.8
228.13121	1.1
235.08244	3.3
245.19220	4.5
253.09317	7.7
263.20154	5.7
289.07147	1.1
289.18198	7.6
290.18478	1.0
291.19739	2.6
293.20596	0.8
307.19162	24.5
308.19379	2.4
309.20734	1.9
317.02905	0.8
354.71008	1.0
369.59827	1.2
445.20801	4.0
459.18942	1.2
525.26605	0.9
543.27979	3.0
549.85895	1.0
655.32739	1.0
735.39557	1.2
753.40521	10.9
754.41089	1.7
777.32825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83385	0.9
55.01867	1.5
57.16515	1.0
58.00586	4.3
59.01380	100.0
60.01693	1.5
62.43757	1.0
69.42486	1.0
71.01384	72.2
72.01717	1.3
72.99310	5.1
73.02944	15.1
83.01386	5.1
85.02954	12.6
86.00095	1.4
87.00880	13.2
89.02445	80.4
90.02771	2.2
95.01401	1.7
95.35862	1.0
97.02973	1.4
99.00912	1.6
101.02444	43.2
102.02783	1.6
109.02897	1.5
113.02453	17.6
115.00346	1.2
119.03489	4.6
125.02463	5.4
126.02036	1.1
131.03505	46.3
132.03825	1.4
137.02443	1.8
143.03473	2.1
149.04561	45.1
150.04817	2.1
161.02367	2.0
161.04509	1.9
173.04523	5.0
175.02460	1.5
177.01936	1.7
191.05603	22.3
203.05472	1.2
207.30597	1.2
230.48038	1.1
233.06673	3.2
282.13782	1.0
293.08893	1.3
301.07248	1.2
311.09674	1.1
414.18762	1.4
455.19226	1.9
463.10138	1.1
517.26306	2.2
535.27338	1.3
649.30835	57.4
650.30920	10.0
667.31787	45.5
668.32190	6.3
709.32904	18.8
710.33215	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	753.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
59.01384	1.4
60.95647	0.6
64.04752	0.6
67.37060	0.7
71.51039	0.6
75.53415	0.6
81.03460	0.6
83.01410	0.8
85.02972	0.6
85.06593	19.6
87.04488	1.0
93.03488	0.9
106.68011	0.6
109.02954	4.1
113.06091	19.2
115.04019	45.4
116.04366	1.3
123.04511	1.9
125.02451	19.4
131.07158	2.9
135.04489	1.0
137.02438	4.1
149.02435	0.8
151.04042	2.3
157.05092	4.6
159.04498	0.9
161.02461	5.9
161.06068	0.9
173.04530	1.2
173.05951	0.7
175.06120	100.0
176.06406	4.0
177.01901	1.2
179.03557	1.0
179.63600	0.7
187.04054	1.4
191.05650	1.9
203.07097	1.9
205.05019	1.0
229.05063	0.8
245.04556	1.7
245.08179	2.8
245.10455	0.7
255.02989	1.4
273.03970	1.0
281.04605	1.3
287.05649	3.4
289.07138	13.4
290.07358	1.0
299.05698	2.3
339.09030	0.9
381.09708	0.8
407.07745	14.6
408.08148	2.0
425.08740	16.3
426.09186	2.0
429.74716	0.7
451.10226	3.7
452.10501	1.0
577.13733	8.3
578.13922	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	753.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.9
59.01376	9.5
61.98835	7.1
71.01383	6.3
71.21046	2.4
72.99302	1.7
81.03468	3.3
83.01390	8.0
85.02951	3.3
87.00891	3.0
89.02448	2.9
93.03473	3.4
95.05042	2.9
96.96004	2.2
97.02982	8.2
101.02433	2.4
105.03493	2.0
108.02169	6.3
109.02949	37.0
113.02433	3.9
117.03512	3.0
119.05011	2.2
121.02979	7.0
122.03745	2.2
123.04534	18.6
124.01723	1.8
125.02454	26.8
130.70943	1.5
133.02965	12.8
134.03763	4.0
135.04515	4.8
137.02448	37.9
139.04016	4.5
145.02965	4.2
146.03731	2.2
147.04533	2.4
149.02415	8.8
149.06169	2.5
150.03209	2.1
151.00436	1.7
151.04036	12.8
159.04482	6.7
160.01642	1.9
160.05313	3.0
161.02455	52.0
161.06076	5.0
162.03044	3.1
163.00409	3.6
163.04025	2.9
164.01186	5.1
165.01926	8.7
167.03467	3.0
171.04768	1.7
173.04611	2.0
173.06004	2.3
175.03949	8.0
175.07535	2.1
176.01079	2.8
177.01938	58.3
178.02602	2.4
179.03516	7.6
185.06209	2.0
187.03969	5.5
188.04803	4.5
189.01917	6.8
193.05009	3.7
195.06677	3.0
201.01868	1.6
201.05624	2.3
202.06384	2.3
203.03485	3.2
203.07120	15.5
205.01427	2.2
205.05020	9.8
213.05547	1.4
213.09642	1.4
215.03545	2.8
216.00623	2.5
217.01427	4.6
221.08177	3.7
227.03479	5.0
227.07195	1.8
229.01379	2.8
231.02861	1.6
234.39857	1.3
241.05022	3.5
243.02937	2.0
244.03760	2.1
245.08194	21.3
247.05925	1.4
255.03027	1.9
257.04532	4.8
258.05270	4.0
259.06091	5.0
269.04547	2.9
271.06094	4.2
281.04471	2.6
284.03250	2.5
285.04099	3.5
286.04794	2.9
287.05603	2.1
289.07202	100.0
290.07687	7.2
293.04706	3.5
295.02661	2.4
296.03293	2.0
297.03943	1.8
299.05539	5.3
301.07178	56.5
302.07516	3.9
307.02393	2.1
309.04065	2.2
311.05722	2.4
313.07266	1.7
321.03992	4.1
329.06851	1.8
339.05212	6.8
340.05682	2.8
341.06631	5.3
351.08691	5.6
353.06552	8.5
403.13690	1.4
433.09302	2.5
445.09045	3.8
449.08755	19.7
450.09262	2.4
451.10434	20.5
451.16470	2.8
452.10571	1.9
455.19217	2.2
459.07407	4.8
463.10422	35.4
464.10275	4.6
472.20386	1.6
505.10928	1.6
557.14648	2.5
583.12469	20.0
584.12897	3.1
601.13513	32.5
602.14008	4.9
687.30829	1.6
709.28979	1.6
735.16962	5.0
753.17938	33.5
754.18311	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	753.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.9
59.01390	8.0
61.98832	11.7
69.03447	1.7
69.74988	4.7
69.75402	2.4
70.24049	1.1
71.01384	5.4
72.99290	1.1
73.35144	1.0
76.85651	1.2
81.03465	4.6
82.77496	1.2
83.01375	7.4
83.05051	1.3
85.02951	2.8
87.00860	2.2
88.98805	1.2
89.02451	2.2
89.03969	2.7
93.03461	4.1
95.01399	2.5
95.05027	2.8
97.02923	7.6
98.20579	1.4
99.04591	1.6
101.02464	4.5
105.03431	1.5
107.05030	1.2
107.61194	1.2
108.02185	6.5
109.02953	35.1
111.00872	1.3
113.02467	2.1
117.03469	3.1
118.93282	1.1
119.05042	2.1
121.02953	4.8
122.03739	1.9
123.00912	1.3
123.04526	22.6
123.17236	1.3
125.02449	25.3
132.02153	1.8
133.02968	13.5
134.03694	2.0
135.04515	5.2
137.02454	37.6
139.04004	5.0
145.02954	3.8
147.04546	1.8
149.02449	8.4
149.06087	1.1
150.03197	1.7
151.00459	1.3
151.04002	11.9
153.02005	1.4
159.04501	4.8
160.01677	1.7
160.05330	2.7
161.02454	57.7
161.06059	7.5
162.03137	3.9
163.00391	3.0
163.03989	3.1
164.01147	4.7
165.01932	6.2
166.05058	1.2
167.03477	2.6
169.89755	1.5
169.97853	1.2
173.04608	2.2
173.06017	2.6
174.03197	1.4
175.03954	9.3
175.07599	3.7
176.01120	3.6
177.01936	56.5
178.02361	2.4
179.03503	7.7
185.06036	2.8
187.04018	7.7
188.04794	5.6
189.01967	6.5
191.05507	1.6
198.03149	1.2
199.03911	1.8
199.07629	1.3
201.05611	3.3
202.06308	3.0
203.03496	4.0
203.07137	18.2
204.07567	1.5
205.01396	4.3
205.05055	11.1
212.04692	1.9
213.05522	2.9
215.03500	2.6
216.00647	2.8
217.01463	5.6
217.05072	2.0
221.08191	2.4
227.03548	3.7
227.07080	1.9
229.01378	4.4
229.05034	2.0
231.03058	1.8
240.04242	1.3
241.05099	4.1
242.02202	1.7
243.02994	2.9
244.03743	2.3
245.04474	2.3
245.08185	19.9
246.08572	1.8
247.06047	3.1
253.05016	2.2
255.03001	1.8
255.06766	1.3
257.04523	4.9
257.08127	2.0
258.05289	5.3
259.06094	7.8
268.03943	1.7
269.04453	2.8
271.02399	1.7
271.06030	3.6
273.07632	1.7
277.05002	1.4
279.03024	2.3
280.03970	1.8
281.04593	2.8
283.02524	2.0
285.04132	6.0
285.07202	1.4
286.04691	2.6
287.05493	1.9
289.07181	100.0
290.07480	5.7
295.02496	1.7
295.06146	1.5
296.03271	1.4
297.03979	2.7
299.05780	6.2
301.07178	60.9
302.07452	4.9
306.07654	1.8
311.05573	1.6
313.07193	3.0
321.04071	5.0
328.58047	1.4
329.06766	1.7
338.04349	1.7
339.04990	9.7
341.06555	5.8
351.08832	5.2
353.06641	7.7
381.10062	1.7
407.11960	1.5
409.45996	1.3
433.09332	3.4
445.09164	3.3
449.08841	19.9
450.09286	1.3
451.10373	17.5
452.10907	3.2
459.07306	5.3
463.10324	30.8
464.10812	3.3
557.14453	2.1
583.12555	23.0
584.12732	4.4
601.13556	40.2
602.13794	5.5
636.24884	1.3
735.17206	4.4
753.17950	28.0
753.29547	1.5
754.18372	5.4
778.97485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19889	0.1
55.72646	0.2
59.01357	0.2
61.98831	100.0
63.99245	0.3
68.65727	0.2
68.99583	0.2
71.01392	0.3
80.96528	0.2
84.58620	0.1
88.98824	0.2
91.65680	0.1
96.96034	0.3
98.20699	0.2
101.02460	0.2
110.91618	0.1
112.98467	0.2
116.19738	0.2
123.59998	0.2
125.02479	0.2
125.09753	0.2
151.04016	0.3
159.98677	0.2
166.02528	0.2
171.10278	0.4
196.02255	0.2
197.11905	0.3
199.13393	0.3
204.40163	0.2
207.10342	0.3
209.11819	1.1
210.12224	0.2
211.13445	0.8
223.33296	0.2
225.11409	0.2
227.12909	0.4
253.09319	0.2
259.15521	0.4
260.15942	0.2
273.17126	0.4
274.17416	0.2
289.07190	0.3
289.18332	0.2
291.19928	0.2
303.67715	0.2
402.21326	0.2
519.16779	0.2
588.54718	0.2
753.34320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98833	100.0
69.96410	0.8
69.96820	0.7
71.01408	0.6
75.10192	0.2
80.96500	0.3
81.94844	0.3
85.02949	0.3
88.50290	0.2
88.98847	0.6
96.96021	0.4
97.10133	0.2
99.00884	0.3
101.02457	0.6
109.02983	0.3
110.70977	0.3
113.69090	0.2
119.05109	0.3
123.04574	0.4
125.02435	0.5
125.09710	0.3
131.94888	0.3
137.02444	0.3
145.36835	0.2
149.02478	0.4
151.04079	0.4
153.01974	0.3
153.48134	0.3
161.02547	0.4
161.04686	0.3
190.20036	0.3
197.11902	0.4
289.07178	0.8
465.82016	0.3
472.33054	0.4
473.15631	0.3
553.03851	0.3
590.62561	0.3
591.70325	0.3
752.37164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98831	100.0
62.98528	0.3
63.24123	0.2
66.13876	0.2
71.01391	0.6
75.65630	0.2
80.96538	0.4
83.04999	0.2
83.68299	0.2
85.02945	0.3
89.02454	0.4
96.96032	0.3
98.20652	0.5
101.02433	0.5
107.19600	0.2
113.02468	0.4
123.04522	0.2
125.02440	0.3
143.10823	0.7
151.04085	0.2
161.02580	0.2
171.10324	0.3
209.11838	3.0
210.12102	1.0
211.13460	0.3
223.13547	0.3
227.12894	0.5
228.13031	0.3
235.08461	0.2
253.09360	0.6
259.15500	2.0
260.15894	0.7
273.17078	1.9
274.17307	1.1
289.07321	0.3
364.93777	0.2
379.12082	0.2
397.13589	0.4
752.37183	0.5
753.34448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13958	0.3
56.73529	0.4
59.01382	21.8
61.98827	1.3
66.94213	0.4
71.01371	2.8
73.02943	0.5
80.96531	1.7
85.02952	0.8
86.17680	0.5
88.75200	0.4
89.02462	1.5
93.03481	0.5
95.85399	0.4
101.02452	2.2
113.02468	1.0
119.03484	0.8
123.08076	0.5
133.10237	1.2
149.09697	1.5
150.51779	0.4
151.11301	2.8
161.04605	0.7
167.10771	3.4
177.09209	9.7
179.05472	0.4
195.10262	100.0
196.10611	5.0
235.08224	3.1
237.14958	1.4
253.09293	8.4
255.15967	0.5
255.23254	0.4
277.21716	59.3
278.22061	5.3
326.51331	0.4
381.02368	0.4
413.18152	1.1
431.19272	6.2
432.19223	0.6
493.43463	0.4
544.62634	0.4
751.39911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03428	0.8
59.01379	6.9
60.07270	0.6
60.61110	0.8
61.98834	3.9
69.03449	2.8
69.26487	4.1
69.26915	2.7
71.01380	7.1
73.02962	1.0
77.17914	0.7
78.95066	0.7
83.05025	1.3
85.02943	1.5
87.00890	1.5
89.02456	3.9
95.05031	1.3
101.02434	4.8
106.26417	0.7
109.06586	1.6
111.08160	8.6
113.02451	2.6
119.03482	1.7
125.02473	1.1
141.09193	0.8
143.03517	0.9
149.09720	1.0
153.12914	1.0
161.04572	2.3
167.10799	4.1
169.12390	4.7
171.10318	1.9
177.12848	1.0
179.05696	1.0
179.10686	1.4
179.14355	3.0
195.13869	9.9
197.11832	48.9
198.12125	2.1
199.13319	3.4
205.12331	12.4
206.12541	0.9
207.10306	1.7
209.11896	1.0
211.13374	6.8
221.11830	3.3
223.13388	100.0
224.13795	6.9
225.11351	0.8
227.12820	1.1
235.08211	4.2
239.12872	2.1
253.09273	19.7
263.20117	3.0
265.18271	0.8
273.18613	1.0
289.07175	0.8
289.17834	0.8
291.16248	0.9
291.19647	21.8
292.19879	1.8
293.21173	2.8
309.20706	62.1
310.21069	6.8
376.03299	0.7
410.50760	0.7
417.38287	0.7
459.22318	7.7
515.34009	1.2
539.80914	0.7
545.29749	1.3
739.52094	0.9
751.41254	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	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01379	7.4
61.98833	5.7
69.03463	2.9
70.63644	1.3
70.87978	0.6
71.01385	5.6
71.05019	0.7
73.02942	1.0
85.02940	1.0
85.06596	0.9
87.00887	1.4
89.02435	3.4
95.01363	0.7
95.05034	1.0
97.02945	0.8
97.06575	0.7
99.08163	0.7
99.75039	0.6
101.02434	4.0
109.06620	1.3
109.72508	0.7
111.08167	8.6
112.72066	0.6
113.02435	2.5
119.03481	0.9
145.05046	0.7
146.03671	0.7
149.09666	1.6
151.11157	0.9
153.12827	0.9
161.04593	1.9
163.11346	0.7
167.10760	4.0
169.12325	3.5
171.10217	1.7
179.05634	0.6
179.10762	1.6
179.14380	3.5
181.12321	1.7
195.10483	0.6
195.13913	11.1
196.14168	0.9
197.11829	43.5
198.12112	2.8
199.13416	3.4
205.12321	9.9
207.10324	1.6
209.11900	1.2
211.13377	6.0
221.11870	2.0
223.13391	100.0
224.13762	7.0
225.11311	3.4
225.14981	0.7
227.12843	1.1
235.08206	5.3
239.12888	1.2
253.09299	15.1
263.20221	2.3
289.18213	0.6
291.19659	14.1
292.19873	1.4
293.21277	2.1
307.18958	1.0
309.20712	49.5
310.21030	4.2
319.27356	0.7
441.21353	0.8
459.22278	9.7
461.20508	1.0
473.30429	0.6
515.33929	1.0
545.30023	1.6
751.40521	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	751.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
57.89635	0.9
59.01382	7.1
61.98821	3.0
69.03468	4.6
70.85700	0.7
70.99311	1.4
71.01392	5.8
71.01719	0.8
71.05029	2.1
83.05043	1.7
85.02913	1.7
87.00874	1.0
89.02435	3.2
92.61298	0.8
93.88700	0.8
95.01400	1.3
95.05042	1.5
97.02953	1.3
97.06564	2.2
99.00914	2.1
101.02450	4.2
109.02942	1.6
111.08148	7.1
113.02438	2.5
119.03523	1.3
123.08182	2.0
125.02413	0.8
125.09721	3.5
137.02487	0.7
137.09741	1.2
144.78174	0.8
151.11273	3.2
161.04581	1.2
161.09682	3.3
167.10713	2.6
177.12831	2.2
179.10779	10.2
181.12332	1.6
185.11789	1.7
195.13847	4.7
197.11826	47.1
198.12193	2.2
207.10194	4.1
209.11887	2.2
211.13419	4.6
218.09882	1.0
223.09947	1.3
223.13371	8.7
225.11353	7.5
235.08195	1.2
241.10602	1.9
243.12340	1.6
245.19098	1.1
247.20639	2.2
253.09259	4.1
273.18607	2.0
289.07306	1.1
289.18103	2.7
291.19653	41.5
292.20001	4.2
307.19122	3.2
371.00113	0.9
461.20065	1.0
477.19946	1.7
482.46362	1.0
563.20245	1.1
653.31244	1.2
664.00031	0.9
702.01385	1.1
751.39087	100.0
752.39471	20.5
783.55133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98829	100.0
71.01383	0.2
83.76008	0.1
84.02164	0.1
93.12275	0.2
96.96024	0.2
98.19838	0.3
125.02539	0.2
125.09762	0.2
147.61879	0.1
163.11140	0.2
197.11871	0.6
209.11815	2.2
210.12102	0.9
211.13423	2.2
212.13705	0.7
217.18834	0.2
225.11371	0.3
227.12843	0.4
241.14322	0.2
253.09425	0.3
289.07156	0.2
310.54776	0.2
322.49744	0.2
731.17511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47485	7.7
61.98827	100.0
65.26953	9.8
70.34233	7.6
98.19853	20.7
103.46279	8.3
157.97954	8.5
171.10260	31.2
197.11804	14.4
218.30339	8.4
219.99196	8.4
229.96619	8.3
255.23331	11.1
277.21667	39.1
620.29840	8.6
684.39691	13.2
747.39893	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	748.376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.92397	0.3
73.21406	0.1
74.92531	0.2
93.53136	0.2
97.02971	0.2
105.63776	0.1
106.02322	0.2
120.39007	0.1
125.02467	0.6
211.13597	0.2
223.13445	0.5
225.26462	0.2
289.07205	0.4
340.55191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51907	1.4
52.91742	1.5
59.01376	28.0
61.98830	2.2
70.06915	5.4
71.01385	19.5
72.99310	2.1
74.65556	1.6
85.02927	3.0
89.02443	27.7
94.72691	1.5
101.02454	14.4
107.01320	1.4
113.02454	9.1
113.09783	1.6
119.03492	11.4
129.39474	1.6
131.03499	1.5
143.19092	1.6
149.04500	2.0
155.19276	1.4
161.04550	2.8
179.05606	8.7
225.22198	4.5
271.22714	3.3
278.24811	1.7
281.24521	1.6
296.25928	1.9
532.47473	20.1
533.47858	2.3
550.48358	6.4
712.53687	100.0
713.53821	23.0
748.51367	23.6
749.51178	6.4
774.74176	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	747.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50176	10.8
61.98821	62.0
70.57711	29.3
75.41216	9.7
78.95903	20.7
89.34023	10.1
99.70600	9.9
103.87084	12.2
117.54668	9.3
132.63368	11.2
145.30377	11.9
161.21431	11.2
171.10234	44.8
193.34645	11.6
197.11867	23.1
209.11807	18.6
227.12921	11.5
255.23320	31.0
277.21683	100.0
278.22174	11.4
747.40045	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	747.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.6
61.98826	38.4
62.64231	1.6
69.23663	1.5
71.01370	7.0
71.07322	2.6
71.07653	2.2
75.00890	2.3
85.02959	1.7
87.00871	2.2
88.98829	2.9
89.02448	3.7
96.96001	1.6
97.02935	6.8
99.00883	8.3
99.30695	1.4
101.02425	4.6
109.06615	1.5
113.02467	2.7
123.04535	1.7
125.02439	2.9
125.09685	3.6
133.17316	1.5
135.08089	1.4
142.02718	1.6
151.03947	2.7
161.04547	2.7
163.11244	8.7
171.10260	1.5
177.09169	3.0
181.12334	13.5
183.13890	6.2
193.48643	1.5
195.10257	26.4
196.10481	2.3
197.11929	2.5
207.10248	43.3
208.10591	2.7
209.11807	5.6
211.13383	100.0
212.13702	6.5
223.13293	4.3
225.11304	82.0
226.11639	7.3
227.12827	2.2
235.08246	3.3
243.12381	7.4
250.87004	1.5
253.09244	6.7
255.23198	1.7
273.17099	23.3
289.07166	3.4
383.22202	2.7
401.23264	4.7
431.18979	3.4
443.18973	3.3
447.22403	3.4
461.20300	32.1
462.20389	3.8
611.30518	3.8
619.31494	2.0
637.32336	14.3
638.32886	2.4
655.33441	31.9
656.33270	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	746.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76480	0.3
59.01382	0.5
61.98830	100.0
65.37442	0.3
69.37195	0.3
69.37525	2.4
71.01377	0.4
74.99780	0.3
77.96482	0.3
88.98837	0.3
89.02447	0.6
95.35215	0.3
97.06600	0.8
103.00498	0.3
123.08196	0.6
125.09727	9.7
126.10075	0.4
187.09749	7.7
188.10312	0.3
208.78078	0.4
255.23428	0.4
277.21716	2.1
387.71381	0.3
405.17889	0.4
423.18567	1.8
448.80255	0.3
683.40094	18.7
684.40350	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	746.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80268	0.3
61.98831	100.0
69.24112	0.8
69.24528	1.9
71.01392	0.4
78.95918	0.7
80.96548	0.6
86.46703	0.3
88.98828	0.3
97.06557	1.5
98.19840	0.6
101.02469	0.3
104.76411	0.3
123.08173	0.7
125.09730	7.6
125.10618	0.5
187.09772	3.2
255.23308	0.4
277.21686	3.6
278.22269	0.4
279.23401	1.1
281.24850	0.6
341.11557	0.3
419.52222	0.3
567.77655	0.4
604.37842	0.3
683.40094	16.9
684.40503	3.6
741.96692	0.3
746.45679	0.4
747.37903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20318	0.6
59.01373	1.4
62.96417	0.8
64.79113	0.6
66.33018	0.6
69.91402	1.9
69.91818	0.9
71.01386	2.1
72.99345	0.9
75.00873	2.9
78.95905	47.1
85.02962	3.2
87.00887	0.7
95.01443	0.7
96.48264	0.6
96.96981	1.4
98.18124	0.7
99.00895	1.7
103.01305	0.6
113.02448	3.2
121.02948	1.3
122.00136	3.0
122.03774	1.5
123.38510	0.6
134.98581	0.9
136.05272	0.9
140.01190	14.3
152.99586	5.7
167.14436	2.9
193.15927	1.3
196.03799	9.5
207.17528	1.3
209.11746	3.9
214.04720	0.9
223.20694	2.6
231.17320	0.7
249.18594	10.4
250.18979	1.1
255.23291	44.6
256.23718	2.6
257.15393	0.6
259.15591	0.6
267.19641	93.5
268.20004	8.0
273.16797	0.7
275.16501	12.8
276.16769	1.1
293.17590	44.8
294.17972	3.9
311.18643	42.0
312.19116	2.0
352.43600	0.6
375.75412	0.6
390.85382	0.6
391.22574	0.9
398.27710	0.6
429.16852	1.2
447.17789	1.7
452.27823	4.1
452.33472	0.8
463.21332	0.6
490.22073	8.3
491.22552	1.0
508.22998	1.0
694.03040	0.8
701.54602	0.8
715.42828	11.5
728.45038	1.0
746.46124	100.0
747.46094	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	746.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98831	100.0
78.95920	0.3
88.98834	0.4
89.02433	0.2
96.96048	0.2
110.07152	0.2
121.63849	0.2
127.78403	0.2
143.10887	0.2
151.04036	0.2
152.99536	0.3
160.60858	0.2
190.98663	0.2
195.13857	0.3
211.13391	1.8
212.13779	0.6
223.13373	1.7
224.13788	0.8
230.80087	0.2
241.14546	0.4
242.14932	0.3
253.09207	0.2
259.15668	0.2
289.07288	0.5
397.13345	0.2
460.22784	0.2
474.64352	0.2
579.05341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22933	2.1
54.42019	2.2
54.93380	2.0
60.99301	2.3
61.98832	100.0
71.50374	3.9
74.84357	1.8
78.95899	4.1
88.98804	14.3
89.02444	5.0
125.09718	6.0
144.47118	2.1
187.09793	7.0
195.10243	4.0
277.21783	10.4
321.49393	2.1
345.85913	2.1
405.13498	2.2
479.47427	2.1
683.39795	19.6
745.39844	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	745.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06371	19.3
59.01382	26.2
61.98830	100.0
71.51561	25.8
73.70782	19.1
78.95908	34.6
91.45999	22.9
95.33090	21.1
109.02863	19.4
152.99603	32.4
195.10258	85.8
220.32646	22.7
277.21588	72.7
281.24927	26.4
365.66483	22.0
532.77100	26.2
678.85217	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	745.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
59.01379	15.2
61.98829	8.6
69.03455	1.9
70.37773	1.4
70.92302	0.5
71.01387	3.2
71.04987	0.5
73.02951	1.0
76.41734	0.5
85.02940	0.8
89.02451	2.0
95.11422	0.5
98.33344	0.6
101.02438	2.1
109.06538	0.7
113.02459	1.8
119.03430	0.7
125.02460	1.1
161.02415	0.5
161.04527	0.7
167.10779	2.8
179.10881	0.8
179.14380	2.2
183.13893	6.3
193.12311	1.8
195.13878	7.7
203.07829	0.5
205.10547	0.6
205.12332	7.9
211.13385	100.0
212.13708	5.8
221.35912	0.5
223.13382	85.5
224.13727	5.2
235.08188	3.6
241.14252	0.7
253.09270	6.7
281.24823	0.8
399.25302	1.4
417.26239	1.3
429.21185	1.1
441.20969	2.9
447.22275	9.1
448.22992	0.9
459.22388	14.4
460.22580	1.3
506.34976	0.5
635.34570	3.9
653.35345	6.3
654.35760	1.2
745.49847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38110	0.4
59.01379	2.5
61.98834	7.4
65.55293	0.4
70.75937	0.8
71.01379	2.5
73.02956	0.5
81.46666	0.4
83.01387	0.7
85.02959	1.4
89.02439	0.9
93.03460	3.5
95.05049	0.6
96.96043	0.5
101.02450	0.6
109.02988	1.4
113.02412	0.8
115.00349	0.6
121.02963	6.7
121.03781	0.7
122.03746	14.5
123.00845	0.7
123.04535	1.2
124.01667	0.5
125.02446	0.9
132.03043	0.7
133.02942	2.2
134.03738	1.0
135.04510	1.9
136.01663	12.3
136.06454	0.4
137.02478	2.2
137.06030	0.5
147.04570	0.7
149.02441	17.8
149.06078	0.6
150.03229	94.7
151.00404	3.2
151.04015	12.8
152.04323	0.5
155.08301	1.4
160.05290	0.5
161.02431	0.9
162.03207	0.7
163.04045	1.0
164.04805	2.9
164.35638	0.4
165.05568	100.0
165.10278	5.2
166.02724	9.6
166.05890	3.9
167.03482	1.1
175.00348	0.5
175.04005	1.1
176.09480	0.7
177.01913	1.1
177.05557	0.4
180.04288	7.2
181.05074	10.2
189.05594	1.3
190.02765	0.6
190.06297	1.1
190.09869	0.4
191.03563	0.8
193.05098	0.9
195.06622	98.4
196.03098	0.5
196.06979	4.3
205.05048	1.0
206.05760	0.4
208.10866	0.8
209.11687	0.7
221.08295	0.8
237.97154	0.4
246.11115	0.6
278.18546	0.5
285.03922	0.5
297.04019	1.6
297.07635	0.4
299.05551	0.6
303.18268	1.6
321.19412	6.0
327.05276	0.6
329.10129	0.7
339.05151	1.2
342.11041	1.2
357.09631	2.4
357.13406	7.3
358.09787	0.6
358.13818	1.0
369.13187	0.6
372.12152	2.3
374.48761	0.4
387.14502	26.9
388.14905	2.4
419.19275	1.4
437.20465	2.3
438.20624	0.6
459.09171	0.9
460.09854	0.5
497.27817	0.5
505.18549	0.4
535.19727	5.7
536.19830	0.8
553.20459	1.4
565.20929	0.7
583.21863	17.0
584.22321	2.5
652.62433	0.5
745.31396	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27274	0.5
54.27522	0.6
57.03456	0.5
59.01385	4.1
61.98833	16.2
69.32436	4.3
70.87194	0.6
71.01366	3.4
72.99328	0.6
85.02962	1.3
87.00880	0.6
88.98823	0.6
89.02443	1.2
93.03452	4.0
95.01387	0.7
96.95999	0.8
101.02465	2.2
103.03963	0.5
104.18166	0.5
109.02968	1.4
113.02452	1.3
119.03510	0.7
121.02955	5.0
122.03752	11.4
123.04531	1.4
124.01657	0.8
125.02409	1.4
133.02954	2.1
134.03751	1.0
135.04514	1.6
136.01656	5.7
137.02431	2.1
139.04010	1.0
147.00957	0.6
147.04524	0.8
149.02435	19.3
150.03224	83.9
151.00362	1.3
151.04004	7.0
161.02361	1.1
161.04597	0.6
162.03242	0.8
163.04114	1.4
164.04805	5.6
165.05563	99.7
166.02715	4.8
166.05917	4.0
167.03345	0.8
175.00388	2.8
175.03984	1.3
177.01958	1.2
177.05519	0.6
179.03455	0.7
179.07204	0.6
180.04265	6.6
181.05037	4.8
190.02739	6.3
190.06306	1.1
191.03496	1.2
195.06618	100.0
196.06950	4.5
201.03836	0.6
205.05049	6.3
206.05328	0.8
209.11768	0.6
215.57402	0.6
223.06104	2.7
269.54697	0.6
289.06940	0.7
297.03989	0.9
357.09607	2.6
357.13663	2.6
372.12299	3.2
387.14493	19.7
388.14789	1.5
448.79089	0.6
535.19604	3.1
542.16785	0.6
549.19733	1.9
553.21686	0.6
583.13458	0.8
583.21808	9.6
584.21857	1.8
697.24811	1.8
727.25977	1.0
745.25562	3.2
745.38770	0.7
746.27960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93350	0.4
59.01378	2.7
61.98827	4.9
67.17549	0.4
71.01392	2.5
71.40427	0.7
73.02963	0.5
81.03452	0.6
83.01385	0.8
88.04075	0.9
89.02457	1.3
93.03446	4.2
98.01234	0.4
101.02421	0.9
108.02201	1.0
109.02983	1.1
113.02458	0.9
115.00400	0.7
121.02941	4.6
122.03740	13.8
123.00894	0.9
123.04552	0.6
124.01652	0.5
132.03040	0.9
133.02953	2.5
134.03659	0.9
135.04526	1.2
136.01656	10.1
137.02478	2.1
145.02913	0.5
149.01419	0.3
149.02434	16.4
150.03224	86.3
151.00409	2.4
151.04012	12.4
153.01869	0.4
155.08252	1.8
160.01610	0.6
161.02393	0.6
161.05904	0.5
162.03204	0.8
163.04033	0.7
164.04794	3.0
165.05566	100.0
165.10295	7.7
166.02705	8.6
166.05881	4.7
166.10678	0.6
167.03302	0.7
172.53177	0.4
175.03979	1.1
177.01865	0.9
177.05560	1.2
180.04282	6.2
181.05052	8.8
182.05275	0.4
189.05516	0.8
190.06287	0.8
195.06619	98.9
196.06920	4.3
201.11342	0.5
205.05042	1.2
205.08763	0.5
208.10841	0.9
209.11754	0.6
221.08134	0.7
235.30095	0.5
297.04153	0.8
297.07584	0.5
303.18195	2.1
309.07501	0.6
321.19299	9.8
342.10953	1.3
357.09567	2.7
357.13394	6.8
358.13834	0.5
369.13239	0.5
372.12161	2.1
373.12399	0.6
387.14484	28.6
388.14813	2.8
419.19284	2.3
437.20477	4.5
459.09305	1.0
535.19720	5.5
553.20905	1.6
565.20837	0.8
566.01941	0.5
583.21796	15.7
584.22388	2.6
637.88580	0.5
700.50769	0.5
743.13354	0.5
745.30988	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	744.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81817	0.2
56.06295	0.2
59.01379	1.3
60.99302	0.2
61.98832	100.0
62.98540	0.2
70.10559	0.2
71.01397	0.8
71.52431	0.3
72.99284	0.3
73.02962	0.2
75.00816	0.2
78.65006	0.2
83.01427	0.3
85.02975	0.3
88.98832	0.9
89.02448	0.3
96.96052	0.4
101.02464	0.2
113.02477	0.5
119.05016	0.3
123.04532	0.3
125.02469	0.3
134.03653	0.3
135.04544	0.3
137.02536	0.3
149.02403	0.4
150.03221	0.4
151.03975	0.3
152.87628	0.2
160.01695	0.3
161.02487	0.5
163.04102	0.3
165.05695	0.3
190.02853	0.3
195.06770	0.3
234.11292	0.2
289.07095	0.3
296.46344	0.2
453.52444	0.3
519.32037	0.9
583.23163	0.3
744.38428	0.4
745.36932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
61.98830	28.3
65.29860	0.9
69.24163	8.9
70.02966	4.1
71.01379	3.1
83.01384	1.3
87.00878	1.1
89.02446	1.5
89.52486	0.9
93.02676	0.9
93.03484	1.2
95.02512	1.7
96.00916	8.0
98.01211	4.7
101.02425	1.2
109.02953	1.5
113.02428	1.2
113.03577	11.1
114.01981	11.3
115.60731	1.1
117.74236	1.0
121.02921	1.9
122.03772	1.2
131.04623	18.6
133.02945	1.2
135.04471	2.1
136.01695	1.3
136.06375	3.5
143.68535	1.0
147.05652	6.0
149.02429	2.6
150.03241	8.7
151.03961	2.9
155.08284	25.6
161.02434	1.3
161.05861	1.2
163.04025	1.2
165.05594	9.0
165.10330	100.0
166.10606	3.0
173.04527	2.8
175.03929	1.2
176.09540	9.5
177.10207	3.7
181.04958	1.2
190.02641	1.5
190.09842	6.5
191.05585	2.4
195.06671	6.3
203.10573	2.3
205.05020	1.6
208.10916	15.0
209.09239	3.8
209.11154	1.2
212.32695	1.0
217.07300	1.1
226.12059	1.0
246.11147	7.2
260.17581	2.7
275.16568	1.6
276.16949	1.3
289.07147	1.3
303.18280	24.9
304.16516	13.4
321.19315	62.5
322.19528	4.3
347.21005	1.1
357.13266	1.8
387.14529	5.7
392.23056	1.4
418.20956	76.9
419.21237	9.1
436.22003	66.7
437.22113	7.0
478.23102	1.5
513.53522	1.1
535.19513	5.8
583.21405	3.3
744.33160	22.1
745.33209	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	743.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23898	20.0
61.98821	60.6
68.62116	15.6
71.51940	21.2
74.47990	18.2
75.99503	16.6
78.95899	77.3
92.00484	18.4
108.73429	16.8
113.25636	18.0
143.31216	19.4
152.99579	29.2
154.50728	18.4
155.73973	20.9
171.37248	18.5
174.10930	20.0
197.11710	19.1
211.13347	56.6
236.15387	17.4
255.23267	24.8
277.21704	38.5
279.23114	22.5
476.65875	18.4
514.82196	19.3
566.73120	19.8
743.45868	100.0
744.43787	25.8
752.76733	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	743.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
60.99318	0.9
61.98835	4.1
69.03450	1.7
70.62315	0.8
70.62697	0.9
71.01373	2.6
73.02944	0.7
78.95904	0.6
83.01362	0.6
88.98817	2.8
89.02456	2.5
93.03417	0.5
101.02455	2.4
109.06585	0.6
113.02441	1.5
119.03513	0.5
145.05077	0.7
152.99542	0.6
157.08766	0.9
161.04579	1.2
167.10756	2.3
177.12762	0.6
179.05672	0.9
179.10716	0.6
179.14526	2.6
195.13907	7.7
205.12367	6.1
209.11824	1.1
223.13396	75.3
224.13699	4.7
231.86974	0.6
235.08246	3.6
237.04860	0.5
241.14456	100.0
242.14825	6.9
253.09264	6.4
279.23236	1.7
415.03711	0.6
441.21249	3.7
459.22354	13.1
460.22638	1.0
477.23257	2.6
507.26721	0.7
683.36902	3.7
743.49023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81625	0.6
59.01365	1.5
60.99307	17.5
61.98832	3.8
70.64782	1.8
71.01376	0.9
72.99292	0.7
78.95890	1.0
82.22374	0.6
87.00903	0.9
88.00404	2.5
88.98805	100.0
89.01926	1.4
89.02444	12.7
89.99145	1.1
138.10959	0.7
152.99556	0.9
217.14558	1.3
255.23325	0.9
265.14868	0.8
277.21732	1.0
279.23257	1.2
307.19107	0.7
397.13699	1.6
484.28958	0.7
507.27875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	16.8
61.98830	100.0
70.64350	8.4
70.64722	8.3
71.01385	9.7
72.99319	7.7
88.98812	6.6
89.02422	4.7
96.95990	4.8
101.02430	6.9
107.51982	3.8
183.14061	4.3
195.17967	4.0
195.35570	4.2
197.11803	35.2
209.11758	21.5
211.13374	10.8
223.13309	4.6
227.89424	4.1
253.09312	8.1
259.15604	4.2
261.16138	4.7
277.35941	4.4
279.23154	4.6
327.21725	7.6
418.96317	4.5
455.36316	4.1
479.57544	4.1
507.27014	4.3
601.57452	4.3
743.36328	18.8
764.26465	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	743.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88467	1.0
54.89915	1.0
59.01395	2.9
66.98545	1.0
67.01881	4.5
69.03456	1.4
71.01376	2.8
79.80914	1.1
84.92052	1.1
85.02960	4.0
93.03463	25.1
97.05619	1.4
109.02940	3.3
111.04531	3.0
127.01804	1.2
127.04001	1.8
134.03760	3.0
135.04521	63.5
136.04825	2.7
137.02444	5.7
139.00371	1.1
149.06087	2.9
153.01921	1.6
154.02718	2.0
155.03459	5.8
161.02385	2.6
163.04036	1.8
169.05080	3.1
173.04546	100.0
174.04811	5.5
179.03488	60.2
180.03889	1.9
191.05611	37.1
192.05966	1.3
255.06305	1.2
353.08737	89.8
354.09085	8.0
359.07892	1.7
527.57819	1.4
533.12982	14.2
707.18152	12.9
708.18207	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	743.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01366	1.2
67.01882	3.1
69.03463	0.6
71.01380	2.6
71.08050	0.6
72.99294	0.5
81.03442	0.5
83.05011	0.4
85.02943	4.1
85.95155	0.3
87.00855	0.5
88.08285	0.3
93.03453	16.5
98.01895	0.3
109.02943	1.0
111.00829	0.4
111.04511	3.7
121.02888	0.3
122.64463	0.3
123.04518	3.3
127.03999	0.5
135.04518	34.2
136.04832	1.4
137.02435	4.0
153.05574	2.6
155.03511	3.5
167.03473	1.2
173.04536	100.0
174.04880	3.2
179.03513	2.4
183.14975	0.4
191.01952	0.8
191.05603	5.7
192.05882	0.4
197.04568	3.6
209.03027	6.8
210.03380	0.5
331.88919	0.3
341.08746	6.2
342.08838	0.5
353.08694	2.8
371.09814	47.9
372.06039	0.5
372.10181	4.3
378.97522	0.4
723.91785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30747	0.6
59.01372	5.4
61.98838	4.4
71.01382	4.3
73.02949	1.1
79.93362	0.6
80.02670	1.4
82.70926	0.6
83.05015	3.0
83.27422	0.7
85.02924	0.9
86.27663	0.6
87.00909	0.8
89.02447	3.2
92.86197	0.5
96.90079	0.7
98.19877	1.6
99.00896	1.1
101.02431	3.7
109.06641	0.6
113.02462	2.6
120.51500	0.8
125.09729	2.1
127.11266	2.0
139.11256	0.7
145.04970	0.7
149.83516	0.6
155.10785	0.8
161.04533	1.9
163.11266	3.1
165.03127	0.7
165.09119	0.9
165.12888	1.8
169.42921	0.6
170.34117	0.6
171.10228	1.7
180.62354	0.6
181.12268	0.8
182.12595	0.8
191.10794	0.9
193.07796	0.7
199.13347	0.8
201.11324	43.6
202.11673	1.6
207.10265	1.0
208.10625	1.1
209.11819	89.8
210.12221	6.1
225.11273	2.3
226.11769	1.1
227.12920	10.7
228.13126	1.2
235.08231	8.7
253.09271	12.9
277.21707	100.0
278.22064	9.2
419.19247	1.1
424.85611	0.7
437.20120	1.6
479.54333	0.7
741.43231	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	742.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
60.99303	0.5
61.72883	0.2
61.98830	100.0
71.01382	0.3
75.00893	0.2
83.05028	0.4
85.57119	0.2
86.58829	0.2
88.00381	0.5
88.98817	2.9
89.02443	0.6
101.02448	0.6
125.09760	0.3
142.43594	0.2
151.99205	0.2
163.11328	0.3
171.10214	0.4
188.38585	0.2
201.11310	4.3
202.11717	1.2
208.11020	0.2
209.11813	8.7
209.13803	0.4
210.12161	3.7
227.12865	1.0
228.13258	0.6
229.32376	0.2
235.08263	0.5
253.09256	1.5
254.09625	0.3
264.89655	0.2
277.21732	5.0
278.22055	3.6
279.22586	0.3
311.63623	0.2
316.20660	0.2
438.20117	0.2
742.43024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99815	7.4
59.07544	7.7
59.78395	6.4
61.98826	28.7
64.59742	6.3
68.58233	7.1
70.78793	20.6
71.01010	6.6
78.37318	6.6
78.95912	48.5
96.96925	7.5
136.18526	8.7
145.16791	7.5
152.99643	49.5
210.27983	7.9
247.00121	8.6
253.21709	25.6
277.21738	76.6
334.58212	8.8
505.25629	100.0
741.46808	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	741.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
59.01370	3.3
67.01883	4.1
69.03459	1.2
71.01377	6.6
71.06091	1.8
75.00859	1.5
81.03462	1.0
83.05018	1.1
85.02950	15.0
86.03284	1.2
87.00884	2.7
93.03458	29.6
94.03773	1.1
96.96026	1.0
99.00880	1.3
101.02319	0.9
106.57564	1.0
109.02938	2.5
111.00866	1.4
111.04528	5.0
113.02454	3.1
119.05074	1.0
125.02547	1.0
127.04014	1.2
133.02914	2.1
134.03745	1.6
135.04527	63.6
136.04836	2.5
137.02454	14.4
155.03496	3.5
161.02431	3.9
163.04074	0.9
173.04546	100.0
174.04886	4.0
179.03500	60.1
180.03819	2.7
182.32529	0.9
191.01973	1.8
191.05615	57.0
192.05920	1.7
206.28453	1.1
211.06068	1.7
224.89694	0.8
226.06363	1.5
227.06993	1.2
249.06152	3.7
267.07172	4.6
285.23532	0.9
353.08755	86.9
354.09119	8.1
387.09344	15.4
388.09402	1.4
389.12381	2.3
467.76471	1.0
487.12607	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	741.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
61.98828	100.0
70.64869	6.7
71.01392	2.9
72.99317	4.1
88.98799	8.8
89.02464	2.9
94.98088	2.4
95.36099	2.6
96.96011	7.3
104.30092	2.3
125.02433	4.1
128.57674	2.4
173.13385	2.6
209.11816	20.7
225.11125	3.2
227.12952	7.5
240.57507	2.8
241.14536	4.8
253.09285	3.7
259.15488	3.9
337.33020	2.8
385.92578	3.2
414.52826	2.7
513.05859	3.0
655.34247	2.7
687.36285	4.9
741.34198	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	740.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98830	100.0
62.98531	0.1
62.99260	0.1
82.50675	0.1
83.05034	0.1
117.90493	0.1
145.00078	0.1
155.74786	0.0
160.92958	0.1
220.99356	0.0
314.01010	0.1
678.50537	0.1
679.50647	0.2
680.50525	0.4
740.49390	1.5
741.49268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
61.98830	8.2
71.01404	1.7
71.20696	1.0
71.21003	0.8
72.99290	0.9
73.02940	0.9
75.00879	4.6
77.03950	3.3
83.05029	1.6
85.02891	0.7
87.23147	0.7
88.18777	0.6
89.02503	0.8
93.03455	1.3
95.57800	0.6
97.06596	0.7
97.55904	0.7
101.02441	1.5
111.40845	0.7
113.02467	0.7
121.02959	100.0
122.03250	3.2
123.04547	1.1
125.02405	0.9
125.09681	0.9
137.02477	1.4
144.77698	0.6
165.01932	73.7
166.02312	2.5
169.12386	0.9
171.10335	1.4
173.04538	2.9
180.05846	0.8
181.06564	2.4
185.11882	2.7
191.03551	1.7
195.13889	0.8
197.11832	1.6
209.11827	17.2
210.12184	8.2
211.13396	2.4
212.13792	1.2
213.11348	1.2
225.05579	2.1
227.12929	2.0
242.16188	0.7
253.09293	2.5
275.20218	1.3
276.20490	0.9
277.21451	1.0
289.07233	1.1
293.21249	8.1
294.21490	6.4
309.20673	1.4
313.07153	1.6
357.06146	10.1
387.82620	0.8
505.26038	1.1
598.07288	0.8
678.77167	1.0
678.89899	0.7
719.41254	0.7
740.40564	2.2
741.14630	4.7
741.41492	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	740.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27438	0.2
59.01375	0.5
59.62982	0.1
60.45834	0.2
60.92047	0.1
61.98832	100.0
62.98540	0.2
71.01389	0.3
87.15801	0.1
89.02448	0.3
101.02466	0.3
111.08171	0.3
113.02430	0.3
116.92863	0.4
125.02453	0.2
125.09740	0.2
171.10318	0.2
183.13934	0.5
185.11826	0.3
195.13939	0.2
197.11816	1.3
198.12215	0.4
199.13435	0.2
209.11761	0.9
211.13379	4.1
211.15395	0.2
212.13707	2.1
227.12912	0.5
228.13217	0.3
235.08298	0.3
253.09311	0.7
279.23227	0.2
280.23627	0.2
289.07275	0.3
291.19778	0.6
292.20068	0.5
293.21271	0.8
294.21466	0.8
309.20572	0.8
310.21051	0.7
505.36969	0.3
740.41589	0.4
741.41180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01377	7.0
61.18630	1.1
61.34303	1.0
61.98822	2.9
62.93040	0.8
64.69881	1.0
70.93536	2.4
71.01392	5.8
71.05017	3.7
73.02934	1.7
83.01402	1.0
85.02956	1.8
87.00846	1.9
89.02422	3.9
95.05042	1.8
97.02926	4.4
97.06611	4.8
99.00881	17.5
101.02428	4.1
110.03725	1.3
113.02423	1.6
123.08121	3.1
125.02487	1.3
125.09749	9.0
127.11253	1.5
153.12842	1.4
161.04620	1.7
163.11279	12.6
171.10275	19.6
181.12346	20.1
185.11804	1.2
197.11864	1.9
199.13399	6.6
207.10262	24.0
208.10477	1.1
209.11873	1.4
225.11311	38.9
226.11633	2.3
235.08112	2.4
243.12363	15.8
253.09332	5.2
277.21701	56.3
278.22025	6.6
279.23102	1.4
281.24887	1.8
397.13498	2.4
417.99924	1.0
461.20181	4.8
479.21152	4.5
648.67816	1.1
721.41174	1.7
739.42694	100.0
740.43042	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70018	0.3
55.58076	0.3
57.03440	0.3
59.01374	4.1
61.98829	38.5
63.99263	0.3
67.37846	0.3
70.52169	0.3
70.63335	0.3
70.63680	0.7
71.01379	3.0
72.99286	0.3
73.02953	0.5
80.02655	0.8
81.03468	0.6
83.01386	0.7
83.05021	3.7
84.02153	0.7
85.02950	1.0
87.00894	0.7
89.02439	2.5
93.03422	0.3
95.05042	0.9
97.06561	0.3
101.02446	3.8
108.02274	0.3
111.08172	0.6
112.23470	0.3
113.02452	1.1
119.03477	0.6
121.10237	0.3
125.06103	0.4
131.87427	0.3
135.08170	0.5
145.05011	0.3
151.03938	0.3
161.04553	1.2
163.11290	2.9
165.12866	2.0
167.10666	0.3
169.12378	0.4
171.10213	1.7
172.31821	0.3
177.12750	0.3
179.14429	0.4
181.12318	0.8
183.13887	0.6
185.11806	0.4
191.10791	0.9
195.13898	4.6
196.14471	0.4
197.11838	1.9
205.12341	0.4
209.11815	100.0
210.12163	5.3
211.11475	0.4
211.13405	6.2
223.13354	3.2
227.12868	11.8
228.13332	0.8
231.21091	0.4
235.08224	2.5
253.09276	13.2
254.09598	0.5
256.13187	0.3
275.20139	5.9
276.20596	0.4
277.44479	0.3
289.07166	1.0
291.19629	1.1
293.21216	57.1
294.21570	5.1
309.20694	2.0
445.20691	1.4
463.22348	0.3
503.33734	0.5
520.44977	0.3
546.88983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84422	0.5
59.01371	5.6
61.98820	1.9
69.03458	3.9
70.12505	0.5
71.01375	4.8
71.05015	1.1
71.38818	0.9
73.02934	1.6
78.95873	0.7
83.05005	0.7
85.02949	0.8
87.00866	1.3
89.02433	2.0
97.02939	0.9
97.06607	0.8
101.02457	3.4
110.35992	0.5
113.02428	1.5
116.63028	0.5
123.08133	1.2
125.09698	2.2
151.11264	1.9
153.12788	0.9
157.98398	0.6
161.04533	1.1
161.09694	4.0
179.10776	7.4
183.10271	1.0
197.11823	44.1
198.12141	1.2
215.11136	0.5
223.09659	0.7
235.08241	1.3
241.10823	1.6
253.09175	1.4
255.23337	0.9
261.21713	0.6
277.21649	2.4
278.22107	0.9
279.23270	71.1
280.23645	6.4
477.19965	1.0
555.56012	0.5
739.42676	100.0
740.43054	20.8
740.53503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57920	0.8
54.43146	0.8
59.01377	5.9
60.91687	0.7
61.98819	2.4
69.03449	2.7
69.92796	1.8
69.93192	1.3
71.01378	4.9
71.05027	1.8
73.02931	1.4
75.88617	1.0
78.95873	0.8
81.66315	0.8
85.02952	2.5
87.00887	1.6
89.02451	2.2
90.07899	0.9
95.01424	0.8
101.02460	4.3
112.00893	0.8
113.02442	2.2
123.08144	1.3
125.09675	2.1
133.23137	0.8
151.11281	2.0
153.12836	1.1
161.04529	2.0
161.09720	2.6
163.83011	0.8
171.10240	0.9
179.10745	6.2
185.11761	1.2
197.11824	84.9
198.12202	4.1
201.11409	0.8
201.14943	1.0
211.13281	1.1
225.11388	1.2
241.10794	3.2
249.18581	1.0
253.09280	3.2
255.23248	1.4
277.21680	3.3
279.23270	37.4
280.23593	5.1
359.10815	0.8
459.18805	1.0
477.19861	2.3
657.20605	0.9
739.42706	100.0
740.29907	1.2
740.43018	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	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99847	0.9
57.03445	1.6
57.39753	0.9
59.01373	10.9
61.98830	17.3
71.01379	9.1
71.43736	1.7
73.02916	1.8
76.76479	0.9
78.95898	1.9
83.01357	1.0
83.05021	2.2
85.02937	1.9
87.00871	2.1
89.02445	3.9
95.05028	1.1
96.45059	1.2
101.02444	7.1
103.43361	0.9
111.08154	2.1
113.02441	3.1
151.03963	2.4
161.02586	1.1
161.04503	2.0
165.12881	7.9
171.10274	3.5
179.05573	1.6
181.20724	1.0
183.13904	100.0
184.14218	4.5
185.11833	1.4
186.80649	1.0
195.13927	6.2
197.11821	3.8
205.12125	1.2
209.11829	13.8
210.12122	1.9
211.13451	13.2
212.13713	1.2
213.11528	1.0
223.13449	4.7
227.12868	11.0
235.08223	5.6
253.09259	10.0
265.21823	1.1
275.20218	7.9
277.21848	2.5
289.07236	2.2
291.19656	5.2
292.19934	2.9
293.21225	47.3
294.21597	3.4
309.20804	3.7
445.20761	2.0
463.21790	5.9
739.42712	96.2
740.43091	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87471	0.9
59.01382	7.0
71.01385	6.6
71.05011	2.9
73.02950	1.2
77.50612	1.0
83.04999	1.1
88.55682	1.0
89.02443	3.7
97.02944	4.0
97.06583	2.7
97.28008	1.0
97.79276	1.1
98.19883	2.7
99.00880	22.0
101.02440	3.2
107.94954	1.0
109.06571	1.9
113.02435	2.6
123.08166	1.6
125.09735	6.8
142.02658	0.9
163.11314	8.0
164.67804	1.0
171.10251	12.2
179.10657	1.1
181.12367	13.9
185.11797	1.3
197.11792	6.8
198.12160	2.7
199.13460	6.3
207.10258	27.9
208.10605	1.3
225.11319	49.7
226.11662	2.0
230.26189	1.2
238.51646	1.1
243.12369	30.4
244.12827	1.3
253.09290	3.1
277.21716	32.7
278.22122	5.7
279.22714	1.6
317.15878	1.0
331.41980	1.0
461.20200	2.9
479.21518	7.3
700.60449	1.3
739.42621	100.0
740.42896	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
59.01388	6.9
61.98822	3.2
69.85871	5.5
71.01384	7.3
73.02955	1.1
78.95895	1.5
83.05029	1.4
85.02930	1.7
87.00874	1.2
89.02454	3.6
95.01392	1.2
95.05059	1.2
97.02984	1.1
99.00910	2.0
101.02453	3.9
109.06579	1.7
113.02465	2.8
125.09755	2.9
145.05026	1.2
153.12828	3.9
155.23065	1.2
161.04625	1.3
163.11240	4.4
171.10274	85.4
172.10609	3.4
179.05666	2.0
179.10744	1.9
181.12364	10.3
185.11801	2.9
189.09227	1.4
197.11861	9.0
198.12167	2.4
199.13460	15.2
207.10220	9.3
225.11317	42.8
226.11694	2.3
235.08154	5.8
243.12408	6.7
253.09248	9.7
277.21722	100.0
278.22049	10.7
279.22879	2.6
291.16159	1.1
292.27106	1.4
345.14526	1.3
407.19345	2.1
443.19174	3.7
461.20276	8.7
479.21161	1.8
721.41522	2.5
739.42560	60.3
740.43042	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21227	0.8
57.03427	1.4
58.94135	0.9
59.01375	6.6
59.22651	0.8
61.40128	1.0
61.98802	2.1
70.11995	1.1
71.01382	5.2
71.05003	1.7
72.99282	0.9
73.02934	1.7
75.72086	1.1
85.02928	1.7
89.02450	3.3
90.05072	0.8
97.02937	3.2
97.06583	2.0
99.00884	20.2
101.02435	3.1
109.06592	1.3
113.02437	2.5
119.03406	1.0
123.08154	2.0
125.09737	6.1
127.82095	1.0
163.11282	6.7
169.40196	1.0
171.10265	15.5
181.12352	12.1
185.11789	1.5
197.11806	12.2
198.12161	3.9
199.09587	1.2
199.13550	5.3
205.08560	1.5
207.10249	24.0
208.10616	1.7
225.11314	47.0
226.11562	1.8
235.08138	2.0
243.12343	30.4
243.14662	2.0
244.12773	1.2
253.09261	4.5
277.21695	38.1
278.22031	6.0
279.22614	1.4
461.20184	3.4
479.21249	7.4
739.42566	100.0
740.42920	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	739.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57452	1.0
59.01365	4.9
60.99309	1.3
61.98831	100.0
63.60128	0.9
71.01381	2.0
71.52959	1.7
72.99282	1.1
74.22608	0.9
79.95726	1.1
80.96510	2.2
85.02969	1.8
87.00871	1.9
88.98797	8.4
89.02429	1.5
89.79733	0.9
96.96023	1.8
101.02459	1.5
116.92859	1.2
123.04542	2.1
125.02451	1.3
149.02322	1.1
154.70042	1.0
165.01778	1.0
207.10159	1.3
209.11813	8.5
211.13388	1.2
225.11285	3.2
227.12944	2.6
253.09296	1.1
259.15491	2.8
262.80151	1.0
307.09897	1.0
409.09003	1.0
464.75812	1.1
637.61676	1.2
671.32892	1.9
691.77637	1.1
739.33337	9.6
740.32916	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	739.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96141	1.2
59.01370	14.1
61.98834	10.7
66.40226	1.0
70.58069	2.8
70.58475	2.4
71.01379	5.7
80.02682	1.6
81.03442	1.9
81.36644	1.3
82.26672	1.2
83.01416	1.5
83.05017	4.7
84.02163	1.4
85.02963	2.9
86.11130	1.2
87.00851	2.0
87.57370	1.2
89.02450	2.8
95.05008	1.3
97.38571	1.3
101.02441	4.9
113.02437	3.2
115.09344	1.2
121.10210	1.7
123.04570	1.9
125.02464	3.2
128.04790	1.1
134.52425	1.2
151.03944	2.0
161.02477	1.1
161.04553	2.5
163.11249	3.6
165.12860	2.4
171.10248	3.7
185.11797	2.3
195.10301	2.9
195.13910	4.6
197.11861	6.9
203.17406	1.1
209.11816	100.0
210.12180	4.8
211.13417	18.9
217.14424	11.8
223.13414	4.0
227.12885	13.8
228.13243	1.3
235.08183	4.0
241.14507	1.4
253.09245	13.9
256.13263	1.5
256.92990	1.4
275.20148	6.6
289.07275	2.8
293.21213	64.0
294.21530	5.2
307.19138	2.2
309.20602	4.0
343.91882	1.2
367.24661	1.3
429.21051	1.4
445.20795	2.2
548.10742	1.2
570.31445	1.2
739.39252	5.2
759.94641	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	739.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
57.03448	10.4
59.01387	5.0
65.30973	1.4
71.01384	2.2
71.51080	2.1
72.99306	3.0
74.15564	1.2
75.00877	2.7
84.02177	3.1
85.02956	100.0
86.03304	1.6
87.00905	2.9
93.03491	3.0
96.56281	1.3
109.02942	2.2
110.28600	1.5
115.00357	1.3
117.85398	1.4
129.01953	6.2
133.03015	1.7
134.03757	4.5
135.04532	15.2
137.02440	2.0
147.03012	12.1
151.49208	1.5
173.04570	9.4
179.03493	7.8
184.55672	1.6
191.01996	56.3
191.05630	24.3
192.02452	1.8
193.05115	2.6
209.03069	13.9
231.79222	1.5
265.93835	1.5
347.08188	1.5
353.08783	13.0
371.24496	1.4
385.07748	23.9
401.81366	1.5
469.18015	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	739.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.6
59.01375	8.7
61.98837	15.2
69.16827	14.5
71.01390	5.3
72.99310	1.7
73.02940	1.6
83.01413	1.8
85.02969	4.0
89.02430	2.0
93.03468	3.0
95.05002	1.5
96.16078	1.4
96.96027	3.1
96.96972	1.7
98.20661	3.4
101.02438	2.5
108.02202	1.8
109.02964	24.5
113.02401	2.4
114.95523	1.6
117.03461	3.0
119.03761	1.4
121.02969	2.1
121.83997	1.4
123.04536	12.8
124.04870	2.2
125.02452	100.0
126.01903	1.5
126.02761	2.0
128.03503	1.3
133.02948	6.4
134.03717	4.1
135.04523	4.5
137.02507	7.8
139.04045	2.1
145.02931	13.5
147.04506	2.2
149.02435	5.0
151.04027	12.1
159.04579	2.4
160.01601	2.0
161.02448	41.7
161.03767	3.0
162.03159	5.8
163.00383	1.5
163.03978	6.7
164.01282	1.4
165.01897	3.5
166.05009	1.7
175.03999	3.7
177.01932	18.7
179.03432	1.7
187.04004	4.3
188.04767	2.4
189.01952	21.1
189.05528	1.7
190.02711	11.8
191.03447	4.3
203.03490	4.8
203.07066	2.1
205.05054	4.7
213.05550	2.2
215.03601	1.8
216.00668	4.4
217.01390	8.3
219.02960	6.0
227.07129	2.9
229.01228	3.0
231.02863	3.8
234.01669	2.1
241.04999	2.9
243.06726	2.4
245.04521	11.4
255.02979	2.3
255.06731	1.6
257.00757	1.7
257.04517	2.9
267.02960	1.9
269.04535	3.4
280.03711	1.4
281.04514	15.6
282.05319	3.2
285.04147	2.2
287.05676	11.4
289.07175	6.2
297.04456	1.8
297.07700	5.8
299.05588	5.7
308.03284	4.0
323.05685	3.0
325.03601	2.2
326.04391	2.1
335.05569	1.9
339.08707	2.5
340.02185	3.5
341.06665	59.3
342.06946	4.1
381.05951	3.2
389.06702	2.0
391.08078	9.5
393.06155	2.0
407.07782	2.1
433.09097	9.6
435.07092	13.8
451.10266	14.4
459.07175	29.0
460.07745	4.0
461.08722	9.3
477.07910	2.1
485.09036	2.2
501.12332	1.7
503.09799	15.6
517.24567	10.3
543.13043	8.6
569.10736	53.3
570.11536	7.2
585.14148	2.4
587.11847	20.5
588.12000	2.3
611.11743	3.5
613.13116	10.0
614.13629	2.1
629.13123	3.3
683.37000	1.6
721.15698	2.0
739.16608	19.4
739.32599	5.9
740.16302	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	739.1667
Annotation	Kandelin A-1
Peak:m/z	Relative Intensity
63.85737	1.0
66.14475	1.5
69.17558	13.2
69.17879	3.1
81.03466	2.0
83.01379	4.4
89.03960	3.4
93.03485	1.7
95.05004	2.0
97.02958	2.6
105.03391	1.3
108.02166	1.8
109.02956	25.5
121.02963	2.4
123.04520	7.9
125.02437	16.6
133.02934	10.9
135.04532	2.8
137.02440	20.6
139.03970	1.5
149.02467	4.4
150.03223	2.5
151.04016	10.3
159.04501	3.2
160.05302	1.7
161.02455	22.5
161.06087	2.3
162.03192	2.3
163.00381	1.6
163.73628	1.2
165.01968	2.3
175.03920	2.3
175.07608	2.0
177.01924	100.0
178.02252	3.8
179.03517	2.8
179.65585	1.6
187.03934	3.3
188.04713	1.9
189.01898	11.1
201.05566	1.8
202.06279	1.6
203.03453	3.0
203.07162	8.6
205.05005	6.2
215.03461	2.6
216.00566	3.5
217.01347	7.0
227.03467	6.1
227.07074	3.3
229.01370	5.3
239.03424	2.0
245.04495	2.5
245.08255	10.1
246.08644	1.7
270.04617	1.3
271.05951	1.5
281.04504	3.0
287.05545	6.9
289.07150	51.0
290.07480	2.7
297.03931	1.6
299.05710	1.6
307.02438	2.3
308.03061	1.5
321.04031	6.5
325.03531	3.8
337.07159	2.3
339.05038	31.3
340.05469	2.7
391.08063	1.5
417.06137	6.0
433.09311	2.3
435.07117	13.1
436.07187	2.2
449.08853	19.9
450.08908	2.5
451.10367	9.5
452.11234	1.4
459.06989	8.7
477.08307	2.1
543.12683	2.0
568.03412	1.6
569.10596	8.4
587.11914	24.7
588.12518	3.7
629.13055	2.8
716.67310	1.7
721.15637	1.7
739.16724	17.9
740.17090	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	739.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
57.56838	1.2
59.01380	3.1
67.01894	4.0
68.97456	1.2
69.27636	6.4
69.28059	3.7
71.01382	3.4
81.03462	1.7
85.02952	8.5
93.03466	23.6
95.05000	1.3
97.02883	1.2
98.19951	2.9
107.56673	1.2
109.02954	20.3
111.00877	1.7
111.04524	5.0
117.03480	2.6
119.05049	1.8
121.02974	1.5
123.04524	14.6
125.02454	2.3
127.04089	1.6
133.02972	5.2
135.04536	53.1
136.04872	1.3
137.02449	6.3
145.02971	2.9
147.04547	4.0
149.02490	2.4
151.04015	8.1
155.03505	4.7
161.02478	7.9
167.03514	1.4
173.04552	88.2
174.04868	4.0
175.03954	1.8
176.01105	1.5
177.01942	23.7
179.03503	43.1
180.03841	1.6
187.04109	1.5
189.01935	64.8
190.02736	13.6
191.01959	2.2
191.03543	9.9
191.05627	37.4
192.05896	1.7
203.03558	5.5
204.03996	1.6
209.02901	1.3
216.00624	7.5
217.01421	33.3
217.03502	1.6
218.02090	2.6
219.02972	14.1
223.04503	2.4
231.02953	11.4
232.03389	1.2
233.04655	1.6
341.06656	100.0
342.06995	7.5
353.08755	53.7
354.09128	3.7
385.05679	49.8
385.11383	18.5
386.05927	3.3
605.14569	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	737.6089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49294	0.5
59.01356	0.7
61.98826	2.6
64.48665	0.6
70.08925	1.8
71.25182	0.6
78.95883	1.7
85.95175	0.6
98.19962	0.9
119.11231	0.7
152.99559	1.0
252.49605	0.7
277.21747	3.0
279.23285	100.0
280.23672	9.2
281.24734	0.8
406.23956	0.8
568.90637	0.7
737.41425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64323	0.1
59.01380	0.2
61.98829	100.0
62.98540	0.1
68.31720	0.1
71.01381	0.2
85.29565	0.1
89.02457	0.1
98.20663	0.1
121.40517	0.1
125.02521	0.1
146.32030	0.1
207.91589	0.1
227.12914	0.2
278.22076	0.1
291.19739	0.1
293.21289	0.1
398.14087	0.2
399.13977	0.1
417.14877	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98830	100.0
62.98546	0.2
71.01405	0.1
83.86821	0.1
89.02453	0.1
97.40318	0.1
101.02455	0.3
117.36040	0.1
131.33124	0.1
143.69971	0.1
195.14049	0.1
209.11836	4.1
211.13423	0.2
227.12988	0.4
249.54074	0.1
253.09361	0.3
275.20279	0.2
289.07205	0.2
291.19901	0.1
293.21255	1.6
396.87955	0.1
399.13907	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12061	0.6
59.01380	13.5
65.61244	0.7
81.03455	5.5
83.05024	13.1
100.07668	0.7
104.66436	0.6
125.07170	0.8
135.92761	0.6
207.14999	1.5
224.17719	2.0
225.16078	11.2
226.16345	0.8
255.59995	0.6
262.87015	0.6
294.88568	0.6
309.21881	0.9
334.21625	0.8
341.28836	0.7
367.27267	1.1
433.31519	0.9
450.34677	1.0
451.32889	7.0
452.33099	1.4
550.43896	0.7
659.48553	2.2
677.49670	100.0
678.49933	23.9
681.05225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48833	14.7
58.22662	16.6
61.98821	31.6
70.98454	20.1
70.98769	19.3
78.95911	41.0
87.45058	16.1
88.43346	14.0
90.29428	14.9
97.69582	15.5
124.44707	16.2
151.80711	20.1
167.97894	15.6
199.13370	68.6
200.13916	17.4
209.11815	31.3
222.04550	14.8
223.13336	26.2
255.23358	100.0
277.21503	36.2
279.23294	55.4
281.24802	30.0
427.84579	19.3
541.28577	18.0
663.44000	27.8
687.45221	22.7
737.41736	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	737.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96886	1.8
61.98827	4.2
68.47318	1.9
71.01385	4.8
71.50987	1.8
71.51348	2.7
73.42419	1.9
75.67413	1.9
78.95910	35.5
79.95742	8.2
80.36903	1.7
80.96082	3.5
80.96526	38.2
82.96121	3.7
85.02947	3.5
89.36430	1.7
94.98073	8.7
96.96019	3.7
96.96978	2.6
97.02974	2.1
100.68858	2.1
106.98122	1.9
122.97603	5.9
127.92012	2.0
130.81071	2.0
134.97545	2.5
148.99161	4.6
149.05031	1.9
152.99608	42.1
161.57062	1.9
164.98598	6.8
171.00635	3.7
177.72179	2.0
179.90715	2.0
209.11812	5.7
221.11821	2.3
225.00714	9.0
227.03322	4.4
239.12895	2.8
253.21748	23.6
255.23293	13.5
273.17099	84.9
274.17413	4.9
277.21713	4.2
279.23346	12.9
291.58438	2.3
327.66959	2.0
409.16348	3.2
501.21121	89.2
502.21323	6.1
546.11566	2.2
677.72443	2.3
705.40070	3.3
714.05884	2.3
737.41650	100.0
738.41516	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
59.01386	5.8
69.03461	4.3
71.01384	4.8
71.05016	1.3
73.02926	0.8
77.08798	0.7
79.01727	0.7
83.01308	1.0
85.02965	1.9
89.02451	1.5
97.02956	1.0
101.02444	3.6
113.02476	1.7
123.08133	1.5
125.09714	2.4
141.09895	0.7
151.11253	2.6
161.09711	3.8
174.49008	0.7
179.10768	9.1
182.39522	0.7
197.11832	43.3
198.12157	2.9
223.09746	0.9
235.08136	1.1
241.10794	1.7
253.09247	2.3
277.21722	54.4
278.22113	4.3
375.47052	0.9
477.19644	1.2
737.41168	100.0
738.41522	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03441	1.1
59.01379	6.6
61.98850	0.4
69.03461	4.0
71.01379	5.6
71.05022	2.3
72.99309	0.6
73.02954	1.1
83.01418	0.9
83.05039	0.9
85.02969	1.4
87.00873	0.6
89.02432	2.9
95.01387	0.8
97.02946	0.6
97.06614	0.7
98.20721	0.5
99.00875	0.6
101.02436	4.5
109.28242	0.4
110.41039	0.3
113.02431	2.0
119.03538	0.6
123.08136	1.0
125.09697	1.7
137.09769	0.3
149.09700	0.4
151.11290	2.3
153.12857	1.5
161.04541	1.3
161.09723	3.4
169.12350	0.5
179.05560	0.5
179.10771	6.8
180.11073	0.6
195.10143	0.7
197.11826	95.8
198.12198	3.6
205.08723	2.5
213.11354	0.4
221.11884	0.5
223.09724	3.3
235.08203	1.1
241.10832	5.6
253.09270	4.1
274.52414	0.3
277.21713	33.3
278.22083	3.4
304.72946	0.3
412.97528	0.4
452.07657	0.4
459.18600	1.6
477.19736	3.2
575.36365	0.5
719.39655	1.2
720.40625	0.4
737.41132	100.0
738.41510	24.2
738.55084	0.8
760.13916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	1.5
59.01373	11.5
60.23784	1.1
61.98828	100.0
65.53191	1.2
71.01373	6.0
71.52650	1.6
72.99306	2.8
73.02952	2.1
73.50737	1.3
80.96505	1.6
83.01379	2.2
83.05025	4.7
83.83843	1.0
85.02949	3.4
87.00830	1.4
88.98813	1.9
89.02444	4.5
96.96009	2.8
101.02457	4.0
113.02408	3.3
120.05364	1.1
125.02443	2.0
125.09684	2.0
137.02412	1.2
145.02899	1.8
151.00595	1.1
161.04514	2.0
163.11281	4.0
165.12851	3.1
171.10271	7.3
185.11838	1.6
188.10732	1.4
190.02673	1.4
197.11795	9.3
199.09744	2.8
205.05089	1.4
209.11815	80.8
210.12192	5.0
213.11354	2.6
215.12862	96.6
216.13152	4.9
227.12871	15.4
228.13562	1.1
235.08122	3.4
253.09294	13.1
259.15479	7.6
395.45874	1.2
445.20670	2.5
451.21829	7.7
452.22141	1.6
575.94763	1.3
687.32416	2.4
688.98029	1.6
705.33606	10.0
737.36377	13.6
738.35968	1.9
764.03638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	24.5
61.98832	100.0
71.01372	4.9
76.00319	5.2
79.43201	4.3
85.00284	4.0
93.14620	4.3
98.19920	9.1
101.02419	6.1
109.03005	7.0
123.04543	5.3
125.02479	4.9
151.03984	6.0
169.67627	4.3
195.14023	5.1
197.11813	60.0
209.11835	43.5
211.13477	4.3
223.13434	28.6
227.12857	10.3
244.05026	5.2
253.09235	6.3
289.07153	6.6
291.19614	6.5
308.38986	4.5
433.20624	4.3
440.61948	4.5
459.22128	12.1
543.49304	4.6
595.61731	5.2
651.33942	7.1
737.35468	30.9
738.37061	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	737.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
61.98830	47.2
63.96242	1.7
65.07267	0.6
66.57919	0.5
71.01378	8.9
71.31333	1.2
73.02942	2.4
78.98589	7.4
79.95735	13.9
80.96516	80.2
81.03460	1.5
85.02960	3.1
87.00883	3.7
92.18669	0.6
94.98087	19.6
96.96002	2.6
97.02946	1.3
99.00888	1.1
100.23213	0.6
101.02467	3.5
106.80775	0.6
106.98113	4.3
109.41091	0.6
113.02452	0.9
121.01415	0.6
122.97595	4.9
125.02435	4.7
127.03991	1.7
129.16092	0.6
134.97574	6.2
136.99130	2.0
148.99123	7.1
151.04092	0.7
152.98654	7.7
155.84581	0.6
164.98631	16.7
165.00027	0.9
165.12817	1.5
183.13901	7.6
188.98677	0.9
197.11821	2.3
206.99698	4.3
209.11830	2.0
211.13402	0.6
225.00723	27.5
226.01091	1.0
227.12845	0.8
271.92865	0.6
289.07227	0.6
290.60724	0.7
291.19669	0.7
342.52017	0.6
509.16800	3.4
523.53699	0.6
737.30536	100.0
738.30792	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	736.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98829	100.0
71.01387	0.6
71.51114	0.6
71.51481	0.4
94.34158	0.4
98.36488	0.3
101.02473	0.4
109.02975	0.8
113.68171	0.3
123.04558	0.5
125.02470	0.7
149.98320	0.3
151.03989	0.8
186.52156	0.3
209.11813	2.5
210.12247	0.4
211.13377	1.0
227.12865	2.1
253.09183	0.5
277.21762	0.9
280.27634	0.4
289.07281	1.3
289.18210	0.8
291.19760	1.5
293.21350	0.5
321.38696	0.5
450.58115	0.4
736.40942	0.5
737.38995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41206	0.1
54.63729	0.1
59.01378	0.4
61.98830	100.0
62.98529	0.1
98.19866	0.3
113.02386	0.1
125.02468	0.2
131.57857	0.1
149.02444	0.2
151.03961	0.2
161.02513	0.2
163.11276	0.1
181.21834	0.1
209.11786	1.2
211.13422	1.0
212.13722	0.4
213.13960	0.2
227.12938	0.3
253.09245	0.3
263.37158	0.1
267.67743	0.1
277.21765	0.2
279.23367	0.2
289.07199	0.3
291.19571	0.9
568.47571	0.2
690.79840	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	736.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98832	100.0
70.39177	0.2
70.91631	0.2
71.01386	0.3
71.06745	0.5
84.58361	0.2
96.95998	0.2
197.11836	1.5
198.12225	0.4
209.11900	0.7
211.13506	0.4
227.13058	0.3
253.09319	0.2
289.07306	0.3
395.71057	0.3
537.56897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4326
Annotation	Nonactin
Peak:m/z	Relative Intensity
57.55750	2.6
59.01377	7.1
61.98833	5.3
67.76345	2.2
71.01392	6.3
73.02965	2.6
78.95905	7.1
88.31205	2.2
89.02453	3.2
98.20695	5.2
101.02451	5.7
177.12825	26.7
195.13896	57.5
221.11800	8.8
239.12721	6.3
253.09244	5.6
277.21725	91.8
278.22208	7.6
343.99524	2.4
457.20264	2.5
475.22070	2.6
735.43311	100.0
736.43176	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	736.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29086	0.2
59.01380	0.3
61.98833	100.0
70.83582	0.5
71.01424	0.3
80.96562	0.2
88.98808	0.3
98.10059	0.2
101.02420	0.3
113.02524	0.2
113.38590	0.2
116.92885	0.3
169.53915	0.2
195.10358	0.3
197.11856	0.6
206.93578	0.2
209.11833	0.6
211.13429	0.2
273.17065	0.2
321.28571	0.2
393.02795	0.2
423.12262	0.2
736.39386	0.4
736.77026	0.2
765.82306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78514	0.3
54.76396	0.3
57.03431	0.7
59.01112	0.4
59.01381	5.4
61.98838	0.6
64.23269	0.2
69.03448	1.8
71.01383	3.8
71.05014	0.7
72.99279	0.2
73.02948	0.6
83.01391	0.5
83.05067	0.3
84.28883	0.3
85.02957	0.8
85.06590	0.3
87.00873	0.9
89.02441	1.9
95.01443	0.4
95.05037	0.7
97.02973	0.3
97.06576	0.3
98.20643	0.9
99.00872	0.3
101.02439	4.0
103.78555	0.2
109.06579	0.5
109.25025	0.2
111.08186	0.4
113.02451	2.2
119.03495	0.7
121.10195	0.5
123.08164	0.4
125.09718	0.6
135.11812	0.4
143.03485	0.3
145.05048	0.4
149.09721	0.5
161.04547	2.0
161.13347	0.6
167.10786	3.2
171.10220	1.2
177.12852	1.0
179.05594	0.8
179.10783	1.0
179.14407	4.1
180.14781	0.4
195.13896	16.0
196.14255	1.2
205.12325	10.8
205.15512	0.3
206.12666	0.5
211.13393	0.5
221.11790	0.5
223.13387	100.0
224.13751	7.1
225.14952	0.9
228.13701	0.7
231.21196	0.4
235.08240	3.7
236.08589	0.4
247.33838	0.3
253.09277	18.0
254.09566	0.5
256.13202	1.3
275.20148	7.2
276.20496	0.7
277.21747	0.6
293.21225	82.9
294.21555	7.1
441.21024	0.3
459.22379	11.0
460.22708	1.3
492.22089	0.4
499.34003	0.8
529.30029	1.3
530.30695	0.3
538.23114	0.2
595.03552	0.3
642.12091	0.3
666.35541	0.3
698.35016	0.4
735.43427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	34.5
68.09215	14.1
70.37618	25.7
70.37984	44.5
76.86486	15.6
78.95899	27.8
87.36971	13.3
93.74573	12.4
102.40794	13.7
152.99564	14.4
164.53500	16.3
175.27708	16.1
221.11916	14.2
225.11273	18.6
255.23363	100.0
277.21671	60.6
278.22052	31.1
372.41989	16.2
427.53342	15.5
462.44278	16.6
499.19757	17.6
699.43524	33.1
706.65924	15.2
735.41034	57.1
736.40814	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	734.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84509	0.2
59.01381	0.6
61.98830	100.0
66.49050	0.2
70.31779	0.2
85.02947	0.2
88.98808	0.2
91.46510	0.2
99.00872	0.4
101.02466	0.2
116.92846	0.3
151.95636	0.2
188.38824	0.2
195.10216	0.3
196.10638	0.2
197.11826	1.3
198.12288	0.2
209.11874	0.9
225.11301	0.6
227.12862	0.2
243.12372	0.4
259.15649	0.4
273.17148	1.0
274.17422	0.4
289.07263	0.3
305.34998	0.2
485.02768	0.2
617.05511	0.2
734.37451	1.5
735.38708	1.0
745.32001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53655	0.2
59.01382	0.8
61.98831	100.0
65.90736	0.2
68.10132	0.2
70.04665	0.2
70.06535	0.8
71.01405	0.3
79.07848	0.2
125.22210	0.2
137.94235	0.3
143.10754	0.5
154.27298	0.3
175.92691	0.2
198.12338	0.3
209.11845	0.5
211.13385	2.3
212.13866	0.8
223.13470	0.3
291.02905	0.2
397.13647	0.6
689.98950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98832	50.6
63.81467	0.7
70.31126	1.3
70.31477	1.7
76.88213	0.6
78.36921	0.6
78.53335	0.6
83.04996	0.8
87.55911	0.6
88.98809	2.6
101.02425	0.8
111.08147	1.1
113.02424	0.9
165.12848	17.0
166.13150	0.9
183.13901	79.9
184.14243	3.9
209.11826	4.0
210.81247	0.7
226.11726	0.7
227.12880	100.0
228.13158	4.0
273.17145	0.8
327.15170	0.7
330.49057	0.8
361.16534	0.9
374.43195	0.6
396.83456	0.6
477.27979	0.7
564.20520	0.8
733.35687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.1
57.71714	1.6
58.85653	1.6
59.01373	10.2
59.01619	1.5
61.98833	17.0
69.54502	8.6
69.54916	2.6
71.01393	15.9
72.99303	4.8
73.02932	3.7
75.00882	16.8
83.01369	2.0
85.02949	20.6
86.27188	1.8
87.00881	4.9
89.02435	3.2
95.01367	3.1
98.20598	4.0
99.00889	11.5
103.00362	2.9
109.32823	1.5
112.25970	1.6
113.02457	21.4
115.00362	2.4
117.01943	1.8
127.11283	2.2
129.01932	2.9
134.39386	2.0
137.09619	2.2
163.11264	2.5
201.11339	17.3
209.11874	18.8
249.06039	2.2
255.23297	85.5
256.23566	8.0
277.21732	2.1
523.87329	2.1
620.53760	2.0
655.52655	2.0
689.41669	9.7
715.42834	55.4
716.42871	10.6
733.43774	100.0
734.43921	19.2
750.02209	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	733.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01376	6.7
61.98829	2.8
63.44645	0.4
69.03465	2.1
71.01379	5.1
71.05023	1.0
73.02964	0.8
73.70708	0.3
80.73660	0.4
81.03544	0.3
83.01385	0.8
83.05038	0.9
85.02936	0.7
87.00879	0.8
89.02448	2.8
93.03465	0.8
95.05036	1.1
97.02958	0.4
97.06577	0.7
101.02441	4.0
109.06597	1.0
111.08159	9.2
113.02432	1.7
113.09722	0.4
119.03497	0.9
123.08202	0.4
125.09686	0.5
135.04497	0.6
135.11795	0.7
137.09735	0.7
141.09171	0.9
145.05086	0.8
149.09711	0.8
161.04530	1.8
166.38429	0.3
167.10774	5.1
177.12843	2.3
179.05632	0.6
179.10805	2.8
179.14415	2.9
195.13902	16.1
196.14288	0.6
203.14357	0.4
205.12340	8.5
206.12608	0.5
223.13388	85.3
224.13716	5.7
235.08224	3.5
237.14920	1.1
247.20763	2.2
253.09291	9.7
254.09560	0.4
273.18613	1.0
277.18088	0.7
277.21500	0.3
291.19647	100.0
292.19977	8.7
338.21790	0.3
441.21320	1.1
459.22360	9.8
460.22623	0.9
479.31903	1.2
497.32672	1.4
509.27631	1.2
527.28546	7.2
527.36041	0.7
528.28979	1.0
621.32465	0.7
686.01367	0.4
715.40424	1.4
733.41541	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	733.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56471	1.2
57.03449	4.3
59.01385	7.0
61.98834	100.0
69.68123	6.9
71.01386	5.6
73.02945	1.4
74.99119	1.2
75.00878	1.4
83.01376	1.5
85.02970	6.4
87.00909	2.1
88.22566	1.3
88.98801	3.5
89.02464	3.6
95.01362	1.7
95.05003	1.3
96.96021	1.5
97.06610	10.6
101.02457	5.4
113.02451	2.8
123.08156	5.9
125.02415	1.4
125.09729	70.0
126.10082	2.8
157.06532	1.4
161.04628	1.8
166.07771	1.3
169.08699	2.2
171.10280	12.5
187.09782	42.8
197.11861	2.4
209.11844	15.4
211.13342	7.0
227.13013	2.3
229.14442	3.8
241.14491	2.9
251.66739	1.5
253.09286	4.8
261.39313	1.3
273.17087	2.7
327.21664	13.4
405.17578	1.7
423.18649	5.3
684.30286	1.5
733.40179	87.9
734.40588	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	733.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02485	0.3
59.01377	7.4
61.98829	15.6
63.21957	0.3
69.03426	0.3
69.74613	1.4
69.74908	0.2
71.01366	1.5
73.02933	0.4
77.91866	0.2
85.02924	0.3
89.02425	1.4
98.20693	0.3
100.37115	0.3
101.02447	1.7
111.69196	0.3
113.02437	0.6
119.42883	0.2
125.02390	0.3
139.33774	0.3
151.03918	0.3
158.96922	0.3
161.04523	0.4
165.12785	0.4
167.14439	0.5
168.68568	0.3
179.05630	0.4
183.13890	6.6
193.12321	1.8
209.11827	0.3
211.13383	100.0
212.13731	5.0
235.08206	1.4
253.09309	3.5
256.93777	0.3
279.58224	0.3
293.21112	0.3
295.75690	0.3
387.25513	0.4
429.21426	1.5
447.22363	10.7
448.22632	0.9
521.29749	0.3
597.32251	0.4
611.41760	0.3
623.34216	1.6
641.35553	0.9
642.35883	0.4
733.38007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22561	0.5
55.01871	0.9
55.29930	0.5
57.03450	0.8
59.01378	6.6
61.98831	28.7
69.03463	4.3
70.98752	1.3
71.01392	3.9
71.05022	2.1
72.89064	0.6
83.01371	1.5
84.02152	0.6
85.02952	1.1
85.43700	0.6
87.00865	0.9
89.02437	2.6
97.02962	0.9
97.06607	0.8
101.02438	3.8
113.02426	1.8
123.08141	1.3
125.02417	0.8
125.09724	2.2
133.71495	0.6
137.09727	0.6
137.67793	0.5
143.69992	0.6
151.11249	2.5
153.12773	1.3
161.04520	1.2
161.09760	3.4
179.10764	6.8
180.11133	0.8
191.10809	1.1
197.11827	71.3
198.12163	4.0
207.10109	1.0
209.11842	3.6
223.09714	0.7
225.11270	1.0
241.10770	2.4
241.14502	1.9
253.09227	3.2
271.85406	0.7
273.17068	54.8
274.17447	3.4
459.18790	1.2
477.19897	2.3
733.36499	100.0
734.36859	18.1
734.49768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03451	1.1
59.01377	5.5
59.37252	0.5
60.34956	0.4
61.98832	41.2
64.39164	0.5
67.13224	0.5
69.03458	5.1
70.42453	1.9
71.01379	4.9
71.05023	2.1
73.02959	1.1
74.40230	0.5
81.03445	0.7
83.01393	2.5
83.05018	0.8
85.02957	1.6
87.00847	0.7
88.98842	1.0
89.02446	2.5
95.01383	0.7
97.02981	0.5
97.06577	1.3
101.02448	4.4
101.05333	0.5
109.06647	0.6
113.02446	2.0
116.92865	0.8
119.03473	0.7
123.08161	1.8
125.09731	5.8
151.11284	2.3
153.12852	1.8
161.04559	1.2
161.09702	4.7
163.11304	1.2
165.12863	0.9
179.10773	7.7
182.13170	0.9
191.10822	2.8
197.11829	74.7
198.12175	3.6
209.11819	5.4
211.13385	0.7
223.09789	1.8
223.13405	0.9
225.11313	1.0
227.12910	0.6
241.10818	2.9
241.14452	1.7
253.09273	3.1
255.12424	0.8
259.15616	1.0
273.17072	50.2
274.17422	4.0
459.18808	1.2
477.19754	2.2
666.70422	0.6
706.39288	0.6
708.17889	0.7
733.36487	100.0
734.36810	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	733.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01378	6.0
61.98829	30.7
69.03452	4.6
69.49801	0.9
69.50212	3.3
71.01385	5.7
71.05013	2.0
72.99311	1.5
73.02936	1.3
75.00893	0.6
83.01387	1.8
83.05069	0.6
85.02956	0.9
87.00880	1.1
88.98804	1.6
89.02441	3.1
97.02942	0.9
97.06628	0.7
101.02439	5.3
111.08157	0.7
113.02457	2.0
119.03499	0.5
123.08157	1.0
125.09741	3.0
128.73088	0.5
144.21667	0.6
149.09758	0.6
151.11320	2.7
153.12823	1.6
161.04553	0.9
161.09729	2.5
163.11241	0.6
179.10771	7.7
185.53572	0.6
195.10226	2.2
197.11815	82.5
198.12186	5.0
209.11774	4.5
211.13362	0.6
223.09673	1.1
225.11195	1.0
233.00211	0.6
233.80830	0.5
235.08241	1.1
241.10834	3.4
241.14404	2.7
253.09267	3.5
259.15408	3.0
273.17044	46.5
274.17389	2.7
453.66025	0.6
459.18878	1.0
477.19629	3.4
580.32495	0.6
606.41461	0.5
632.49060	0.6
675.85071	0.6
715.35773	0.7
733.36462	100.0
734.36926	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	732.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98829	100.0
71.01383	0.5
73.02933	0.1
74.88696	0.1
83.01396	0.1
85.02962	0.2
88.98806	0.5
89.02448	0.2
96.96018	0.1
101.02440	0.2
110.31577	0.1
113.02451	0.2
119.03488	0.1
125.02486	0.2
132.16273	0.1
133.02988	0.2
135.04617	0.1
137.02510	0.2
148.31447	0.1
149.02469	0.3
150.03278	0.4
151.04056	0.1
165.05595	0.3
175.04070	0.2
177.01854	0.1
195.06619	0.2
285.04144	0.4
501.51361	0.1
525.29077	0.1
585.66327	0.1
658.10492	0.1
667.26062	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	732.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43825	0.3
59.01381	1.0
61.98832	100.0
63.99269	1.2
66.66437	0.3
71.01414	0.3
71.45518	0.3
71.50893	0.4
77.30907	0.3
78.95961	0.3
88.98789	0.4
125.02488	0.5
158.00558	0.3
164.20856	0.3
175.50890	0.3
211.13429	0.8
274.71091	0.3
289.07455	0.6
350.59070	0.3
643.82623	0.4
733.38849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
61.98830	100.0
69.03468	0.6
71.01389	1.1
71.51392	0.2
80.82762	0.2
83.01393	0.4
83.05078	0.3
85.02953	0.4
88.98817	0.4
89.02446	0.5
101.02457	0.4
106.81426	0.2
113.02477	0.4
116.92866	0.4
119.04969	0.2
121.64877	0.2
123.08181	0.3
125.02474	0.4
125.09754	1.3
130.22798	0.3
151.11319	0.3
161.09767	0.5
165.01976	0.2
171.10385	0.4
179.10764	1.0
191.10881	0.4
195.10425	0.2
197.10002	0.6
197.11829	11.0
209.11826	1.6
225.11369	0.6
241.10767	0.5
241.14502	0.3
253.09384	0.6
255.12505	0.3
259.15524	0.6
273.17078	7.5
276.10657	0.2
289.07404	0.3
293.06058	0.2
468.58261	0.2
477.19919	0.3
725.82678	0.2
732.37701	0.4
733.36499	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	731.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01382	13.2
61.98826	8.8
62.65167	0.9
69.03452	1.5
71.01361	3.1
83.01386	0.9
87.00870	0.8
89.02419	2.0
95.01360	0.9
97.02943	0.9
99.92562	2.0
101.02434	2.7
109.02970	1.3
116.92841	2.2
121.71635	0.8
123.04537	1.4
127.85973	0.9
146.14276	0.9
151.04037	1.2
153.12878	1.8
161.02484	0.8
161.04526	1.2
167.10785	1.9
169.12311	7.1
179.10756	2.4
179.14397	1.7
186.42389	1.0
195.13927	5.0
197.11827	100.0
198.12155	5.4
205.12384	4.6
209.11757	2.3
211.13399	4.0
223.13391	56.0
224.13704	3.6
235.08244	3.7
241.14438	1.5
253.09297	5.9
289.07150	3.0
327.57471	0.9
385.23956	1.0
433.20816	10.2
434.21082	1.9
441.21347	2.8
459.22403	6.6
460.22549	1.3
500.22836	0.9
530.15015	1.0
621.32434	3.4
639.33929	5.0
671.36017	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	731.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
57.88028	1.4
59.01375	23.5
61.98837	11.1
62.98424	1.5
66.15260	1.3
71.01402	4.2
71.05962	1.7
71.06297	2.0
72.99319	1.8
78.95921	1.8
83.05008	1.7
84.33202	1.2
89.02469	2.2
91.50304	1.4
93.06687	1.2
99.92595	3.2
101.02446	4.0
113.02439	3.0
116.92863	4.0
124.61556	1.3
125.02463	2.7
137.02530	1.4
151.04012	1.6
179.07512	1.4
183.13925	5.3
211.13393	94.0
212.13733	5.1
235.08127	3.2
241.14444	100.0
242.14786	7.0
253.09360	7.4
289.07101	4.8
331.26746	1.7
373.84808	1.7
407.27963	2.7
412.22403	1.5
429.21405	2.6
435.27383	5.0
447.22314	7.8
453.28391	5.1
477.23770	1.9
523.12463	1.7
550.57965	1.6
633.24530	1.5
656.10486	1.6
671.36572	20.2
672.37079	4.9
732.36554	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	730.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33097	0.2
57.03460	0.2
59.01387	0.6
59.33662	0.2
61.98831	100.0
70.45621	0.7
70.65678	0.2
89.02371	0.2
94.55570	0.2
96.68785	0.2
102.89793	0.2
111.24239	0.2
134.77434	0.2
139.25011	0.2
144.87335	0.2
151.03981	0.3
195.13907	0.2
197.11823	0.3
209.11897	1.5
210.12212	0.5
223.13382	1.8
224.13742	1.0
289.07281	0.4
517.62842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98829	100.0
62.98540	0.2
68.58450	0.1
71.01392	0.4
72.99306	0.2
73.02947	0.3
85.02966	0.2
88.98830	0.2
101.02443	0.2
113.02425	0.3
121.02987	0.2
128.03497	0.2
134.81032	0.1
149.02411	0.2
161.04680	0.2
175.02563	0.2
181.82245	0.2
190.02803	0.2
209.11853	0.3
227.12892	0.2
460.16745	0.2
525.22327	0.2
731.36438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94820	0.1
59.01379	0.7
61.98830	100.0
70.93058	0.3
71.01381	0.4
72.99317	0.1
76.82075	0.1
78.90347	0.1
85.02973	0.3
88.98831	0.2
93.03427	0.2
101.02429	0.2
113.02453	0.3
125.02411	0.1
149.06078	0.1
161.02412	0.2
171.10286	0.4
209.11906	0.7
241.79601	0.1
285.04126	0.2
286.04636	0.2
289.07266	0.2
451.34702	0.2
610.10760	0.2
640.11487	0.2
667.39459	0.3
730.38879	0.2
731.35077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82978	0.1
59.01374	0.3
61.98830	100.0
62.98532	0.1
79.67390	0.2
85.58376	0.2
92.55897	0.1
98.57130	0.1
136.13023	0.1
171.10283	0.6
172.10645	0.4
173.10847	0.2
253.21646	0.3
255.23375	0.2
259.15659	0.2
278.22183	0.3
279.23013	0.2
281.24985	0.3
391.54388	0.1
731.43585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59888	0.1
59.01381	0.3
61.98831	100.0
62.98544	0.2
76.97563	0.1
90.27005	0.1
96.40176	0.1
98.20731	0.3
152.08112	0.1
167.19975	0.1
171.10329	0.4
172.10605	0.2
213.11351	0.2
253.21811	0.4
255.23361	0.4
259.15640	0.2
277.21680	0.2
278.22137	0.3
279.22711	0.2
281.24948	0.4
327.18231	0.2
472.83606	0.2
591.88007	0.2
731.41736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02031	0.2
69.41399	1.7
78.83648	0.2
89.17389	0.2
91.05509	0.3
93.03463	0.6
98.19925	0.4
107.33987	0.2
119.05026	98.3
120.05356	4.2
135.04509	0.7
143.42506	0.2
146.91885	0.3
163.04007	100.0
164.04327	4.2
173.04625	0.3
197.56767	0.2
325.09271	13.8
326.09540	1.0
468.28629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82562	16.3
61.98833	100.0
70.53052	48.8
78.46657	16.1
78.95878	25.0
104.43858	19.4
109.52057	19.3
126.71844	16.2
136.62996	19.1
197.11780	86.5
255.23207	38.8
277.21631	27.3
289.62860	20.9
296.81683	19.7
305.23413	20.8
349.60181	22.5
364.17316	20.3
431.86810	18.3
470.96759	17.0
729.40991	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	729.407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79876	1.4
57.03442	2.0
59.01369	6.1
61.98837	7.5
67.99688	1.4
69.03429	3.4
69.22403	2.4
69.22816	10.9
71.01384	9.2
72.99287	2.7
73.02897	1.4
73.82300	1.3
75.00866	6.5
85.02954	8.5
87.00860	5.3
93.08895	1.6
99.00879	5.1
104.18486	1.4
113.02444	8.3
117.01969	1.9
132.42433	1.3
157.01431	1.3
168.62331	1.3
171.10196	1.6
179.10754	5.5
197.10223	2.1
197.11842	23.9
214.59041	1.5
241.10725	2.7
255.23303	45.1
256.23672	3.2
364.04941	1.8
536.19159	1.6
553.37311	2.9
639.16797	1.5
685.41742	1.6
711.39032	1.8
729.40680	100.0
730.41095	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	729.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34550	0.4
57.59634	0.4
59.01371	1.4
61.98836	2.7
66.26643	0.4
68.29573	0.3
69.31432	3.3
71.01382	1.2
73.02959	0.7
79.01882	0.4
83.01395	0.6
85.02955	0.5
87.00860	0.5
91.31483	0.4
93.03461	0.7
95.01392	0.7
101.02450	0.5
105.03451	0.6
107.01358	0.4
109.02988	2.3
113.02454	0.7
117.03493	4.0
119.05073	0.7
121.02943	0.6
123.04549	0.7
125.02460	0.5
131.05043	0.5
133.02969	19.0
134.03375	0.8
135.00888	1.2
135.04492	1.4
137.02444	1.4
147.04549	0.7
149.02455	2.4
151.00359	0.6
151.03998	0.9
159.04494	0.4
161.02443	8.5
162.02766	0.5
163.00389	6.3
163.04008	1.1
165.01932	0.7
171.04596	0.5
173.02501	0.7
175.02547	0.5
175.04018	6.9
177.01965	3.5
185.02443	0.5
187.04013	0.6
189.01836	0.5
190.02675	1.3
191.03416	1.3
195.08151	0.4
197.06139	0.5
199.04045	1.1
201.01913	2.5
201.05603	0.5
203.03523	3.7
205.01453	3.3
205.05096	0.6
209.06129	0.4
211.03940	0.7
213.05562	0.5
217.05090	0.5
218.02138	0.5
224.04803	0.8
225.05527	1.1
226.02696	0.5
227.03482	1.6
227.07202	0.6
231.23564	0.4
232.03854	0.5
232.45688	0.4
237.05551	0.7
239.03520	0.5
239.07100	1.7
240.04326	0.5
241.05035	1.0
243.02988	3.0
249.05779	0.5
251.03690	0.5
251.07181	0.5
252.04288	0.5
253.05032	2.2
254.05867	0.6
255.03116	2.1
255.06667	0.4
265.05112	0.9
267.03433	0.4
267.06635	1.9
269.04532	6.0
281.01453	0.8
281.04550	13.7
282.05029	1.9
283.06146	3.5
284.03336	0.7
285.04092	7.6
286.04532	0.5
293.04501	0.8
294.05167	0.6
295.06070	3.3
296.03046	0.5
297.04065	48.7
298.04520	5.0
299.05606	7.4
309.04257	1.8
310.04764	1.1
311.05576	7.3
312.06070	0.8
323.05573	5.7
324.05942	0.5
327.05096	16.6
328.05466	1.2
339.05109	38.0
340.05521	3.6
341.06653	2.1
349.07462	0.8
353.06732	0.9
357.06204	7.2
358.06567	0.6
366.07413	0.6
369.06155	3.1
370.06757	0.4
399.07358	0.5
429.08411	0.7
431.09772	1.2
443.09863	9.5
444.10117	0.6
447.09357	21.7
448.09424	1.9
459.09354	100.0
460.09735	9.8
499.12585	1.4
549.08258	0.5
587.57611	0.4
609.09296	0.6
619.16620	2.4
645.15491	0.4
729.15503	2.5
729.32581	0.8
730.14716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83102	0.1
61.98830	100.0
62.98537	0.3
70.70780	0.3
89.31628	0.1
171.08925	0.2
223.13422	0.4
224.13680	0.4
378.75668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66297	0.7
59.01382	33.7
60.01731	1.1
61.98827	2.8
68.51475	0.8
69.37359	2.1
69.37776	4.3
71.01372	3.9
73.02946	1.7
74.08720	0.7
76.85373	0.8
77.91194	0.8
78.95892	2.0
85.02970	1.0
89.02448	1.6
97.06593	1.0
98.19931	1.8
98.72106	0.8
99.08190	0.8
101.02426	3.7
105.98291	0.8
108.73382	0.8
113.02461	1.4
125.02457	1.1
125.09695	1.0
127.11253	1.2
136.34325	0.7
151.04001	1.8
151.11281	4.3
161.04524	1.3
169.12350	29.1
170.12679	2.0
171.10281	45.2
172.10548	1.3
180.22144	0.8
209.11778	1.0
213.11406	2.0
231.12433	1.7
235.08179	2.0
253.09218	4.1
255.23335	2.3
269.24850	1.4
277.21725	64.1
278.22076	5.2
279.22595	1.0
289.07135	1.5
319.54050	0.9
397.13583	1.7
449.20016	1.1
467.20978	0.8
565.38025	1.2
639.25085	0.9
709.41608	5.1
727.42737	100.0
728.43085	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	36.6
61.98820	3.1
71.01381	4.4
73.02950	0.9
78.95905	1.7
85.02935	0.8
87.00830	0.9
89.02431	2.7
92.73558	0.7
97.02969	0.8
97.06586	0.8
98.00796	0.8
100.64820	0.8
101.02434	2.5
113.02442	1.8
119.03521	1.0
123.04530	0.9
125.02470	1.4
125.09703	1.2
127.11292	1.9
151.03903	0.9
151.11247	4.3
161.04529	1.3
169.12334	32.8
170.12679	1.2
171.10265	93.8
172.10587	3.8
213.11359	3.8
231.12384	3.7
253.09299	4.6
255.23235	1.2
277.21692	32.3
278.22055	3.6
289.07202	2.0
449.20154	2.0
467.21457	3.6
709.41522	5.1
710.42401	1.0
727.42706	100.0
728.43054	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67608	0.4
59.01381	20.0
61.98829	1.4
64.12874	0.4
71.01405	2.3
73.02960	0.5
85.02938	0.6
89.02464	1.4
96.19776	0.4
101.02454	1.8
104.61172	0.4
113.02466	1.1
119.57868	0.4
125.09697	0.5
127.11314	1.4
161.04610	1.1
171.10274	90.8
172.10612	3.1
209.11758	0.8
220.23112	0.4
235.08257	3.3
253.09271	7.1
255.23378	0.7
277.21719	100.0
278.22028	8.4
281.24854	1.1
407.19223	1.1
513.30719	1.0
542.31659	0.5
727.44269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.5
59.34158	0.3
60.01712	0.4
60.55462	0.3
71.01398	1.6
73.02958	0.3
85.02952	0.4
88.80772	0.2
89.02459	1.0
89.54942	0.3
101.01752	0.3
101.02406	1.5
109.57446	0.3
113.02441	0.8
119.03514	0.5
125.09708	0.5
127.11304	1.5
128.96584	0.3
153.09171	0.5
161.04556	1.0
171.10260	100.0
172.10591	4.0
183.13957	0.5
184.14102	0.4
209.11760	0.4
217.18802	0.3
229.05167	0.3
235.08223	1.7
253.09293	5.8
255.23224	0.5
275.19809	0.3
277.21704	50.6
278.22092	4.7
281.24902	0.3
374.60477	0.3
407.19217	2.4
408.19199	0.4
513.30432	0.4
517.67761	0.3
550.41412	0.4
727.43787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19900	13.4
55.37936	12.1
59.01382	17.1
61.98837	19.9
69.37222	59.4
69.37648	44.2
78.95914	27.0
87.66056	14.3
91.42764	13.2
152.99590	31.5
170.92889	12.4
171.10268	28.6
195.10248	15.5
201.63385	14.5
209.11845	82.8
210.12111	36.4
227.12914	23.5
255.23215	41.8
277.21686	46.7
279.23248	34.5
280.23700	37.5
281.24850	100.0
340.72510	14.5
576.60449	16.4
727.44641	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	727.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.9
59.83984	15.0
61.98836	25.5
62.07161	17.8
62.51160	14.2
70.06647	79.8
71.01393	20.7
78.95894	18.2
87.02156	16.0
95.24664	15.7
98.19918	20.5
171.10316	22.3
195.10164	19.5
199.21977	17.6
209.11906	100.0
210.12103	23.2
253.09192	22.9
255.23155	21.0
277.21646	84.4
279.23138	50.6
280.23660	34.6
281.24768	71.6
407.36160	21.2
474.70374	16.3
750.35004	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	727.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71818	1.1
56.36627	1.2
57.03423	1.6
59.01370	13.9
61.98837	9.8
69.03443	2.1
69.13633	1.3
71.01371	4.3
71.84283	1.2
89.02450	2.3
97.02943	4.5
98.19924	2.4
99.00862	7.9
101.02440	5.4
105.01913	2.3
109.06573	2.2
119.03532	1.2
125.02384	1.9
125.09699	3.7
142.02736	1.7
163.11272	5.8
167.10751	2.7
171.10371	1.9
173.04634	2.6
179.10664	1.5
179.14381	4.4
181.12347	12.6
182.12656	1.3
195.13843	10.7
197.11795	2.3
201.11320	10.6
205.12305	10.7
207.10242	31.7
208.10530	1.6
209.11736	1.6
211.13342	2.7
223.13379	100.0
224.13692	5.5
225.11304	63.0
226.11671	4.2
235.08157	2.2
243.12389	9.1
253.09210	3.8
287.14322	1.4
288.60504	1.3
289.18066	2.6
307.19272	1.7
443.19138	2.8
459.22385	8.9
461.20242	14.0
462.20605	1.6
472.32950	1.2
557.60083	1.3
576.36517	1.3
597.29663	2.1
649.31903	3.8
667.33264	26.6
668.33600	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	727.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09121	1.1
55.21181	1.0
58.61316	1.0
59.01370	2.9
60.99313	18.4
61.98833	26.9
64.22074	1.0
71.01379	1.3
71.51058	2.0
87.00874	1.0
88.00407	1.7
88.98808	100.0
89.02463	7.0
97.08224	1.0
99.02628	1.2
102.30789	1.0
113.02400	1.0
137.34795	1.0
209.11839	2.7
211.13356	3.6
246.91449	1.2
397.13336	1.1
482.83734	1.3
493.62064	1.2
511.13098	1.1
563.74500	1.1
581.33350	1.2
595.44763	1.1
601.38617	1.3
727.35925	3.2
754.04535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03440	5.7
57.93445	1.2
59.01379	100.0
60.01718	1.3
61.98826	10.7
69.03454	2.5
69.39387	10.6
71.01381	43.7
72.99300	2.7
73.02943	9.1
74.29940	1.2
75.00866	2.5
81.03459	1.2
83.01395	5.1
85.02951	25.5
85.03458	1.4
86.00090	1.4
87.00873	6.2
88.98820	2.2
89.02443	12.8
93.03444	3.9
95.01387	6.2
96.96011	2.1
97.02945	4.4
97.73344	1.2
98.20617	3.0
99.00875	4.3
101.02443	24.5
101.05389	1.3
109.02945	5.0
111.00858	2.6
112.01653	2.7
113.02450	25.3
115.00282	1.9
116.92847	1.6
118.11066	1.1
119.03501	4.8
119.05029	3.0
121.02967	1.3
123.04501	2.1
124.01656	4.0
125.02442	21.4
130.49101	1.4
135.04530	4.3
137.02451	5.0
138.73517	1.4
143.03484	5.5
149.00923	2.7
149.02420	1.9
151.04047	3.2
161.02444	5.8
161.04536	4.6
161.05946	2.0
163.04002	2.7
173.04604	4.1
175.02576	1.7
175.03940	3.2
177.01990	2.5
179.03383	2.4
187.04103	2.0
190.02617	2.4
191.05586	3.8
191.37108	1.5
205.05008	1.9
217.98245	1.4
231.19656	5.6
242.05762	2.9
243.06723	1.4
245.04654	1.4
245.08022	1.5
267.07233	1.9
271.09644	2.3
289.07162	3.9
293.04401	2.4
298.46011	1.5
311.05670	2.3
349.07181	1.4
375.23846	8.2
393.24792	6.4
445.24283	2.0
455.19366	2.4
471.26263	2.0
501.27142	2.3
519.28137	50.9
520.28412	5.4
537.29169	84.9
538.29559	9.7
553.13605	4.1
555.30249	23.1
577.12769	1.9
579.30157	25.7
580.30548	5.4
597.31317	28.0
598.31714	3.1
641.37451	1.5
667.38647	3.2
727.18951	5.6
728.18799	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	727.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03462	6.9
59.01381	33.7
67.01884	4.1
69.03458	8.4
71.01381	19.6
71.51518	2.0
72.99307	13.3
73.02948	12.6
75.00889	1.2
81.03461	4.9
83.01395	5.0
83.05023	3.7
85.02956	68.3
87.00883	100.0
93.03471	6.7
95.01384	21.1
97.02953	23.3
99.00870	2.3
99.04511	3.9
101.02428	3.0
103.00376	3.5
103.04017	9.1
108.02213	2.3
109.02951	11.6
111.00889	8.2
111.04508	1.7
113.02445	22.2
115.00365	9.3
115.04038	1.7
116.92819	2.1
119.05049	2.7
123.04532	2.6
125.02441	4.8
127.04015	21.6
129.01915	1.8
135.04517	4.5
137.02470	6.9
139.00383	13.4
145.05072	9.9
149.00923	69.5
150.01224	1.6
152.01057	1.7
153.01936	2.8
155.03526	4.9
157.01416	9.7
162.10892	1.3
163.03970	3.8
167.03468	8.3
169.05061	3.4
173.04559	12.8
175.02473	44.0
175.03992	2.5
179.03554	2.3
181.01389	1.5
191.01991	3.1
191.05594	4.0
196.69241	1.3
199.02480	54.6
209.03044	10.0
217.03506	18.2
241.03397	1.8
289.07227	1.9
301.05637	2.8
303.07248	16.2
321.08182	6.6
327.06778	1.3
345.08237	5.1
387.09344	19.5
405.10297	7.5
407.07901	1.6
521.11499	2.3
563.12421	3.2
590.91852	1.3
623.14484	7.9
650.50104	1.3
657.56921	1.3
667.17395	1.8
709.18402	23.5
710.18976	2.8
727.19427	12.9
728.19196	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	727.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90189	1.1
55.01883	3.2
57.03444	5.5
57.62510	1.2
59.01382	37.7
64.59296	1.2
67.01898	3.5
68.99838	1.3
69.03465	11.1
69.32124	6.9
69.32550	3.6
70.41230	1.1
71.01382	19.3
72.99321	4.7
73.02950	14.2
81.03466	5.2
83.01403	4.7
83.05027	2.8
85.02505	0.8
85.02956	60.2
87.00882	100.0
88.01253	1.5
93.03465	5.9
95.01388	20.9
95.01939	2.2
95.37335	1.2
97.02956	32.0
98.20779	1.2
99.00880	1.9
99.04540	4.2
103.04013	8.5
108.02196	1.9
109.02955	7.8
111.00896	8.1
111.04530	1.9
113.02462	18.6
115.00383	13.8
115.04025	2.4
121.02905	1.3
123.04541	1.6
125.02475	4.0
127.04025	17.3
129.01923	1.8
135.04517	1.2
137.02425	3.4
139.00385	13.1
141.05663	1.7
145.05080	6.1
149.00961	11.7
155.03523	2.9
157.01457	7.3
169.05040	4.4
171.03073	1.5
173.04578	3.7
175.02487	55.7
176.02859	1.2
179.03502	1.6
181.01491	2.5
199.02496	36.4
200.02942	1.5
217.03546	20.8
285.06076	2.7
301.05637	1.6
303.07196	17.8
321.08356	7.1
345.08258	9.0
387.09354	17.2
405.10355	5.7
441.57910	1.2
563.12225	3.4
623.14636	9.4
709.18420	16.3
710.18536	2.7
727.19446	20.1
728.20068	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	725.4476
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
59.01377	5.2
61.98840	3.1
65.61337	1.4
69.94106	5.2
71.01392	4.2
73.02952	1.9
78.95941	1.5
80.96528	5.4
83.01371	1.4
87.00900	1.7
89.02483	1.5
101.02451	3.2
104.26289	1.5
111.08163	1.4
113.02477	1.9
119.12731	1.2
151.59645	1.3
159.50079	1.1
164.98631	1.5
165.12875	9.9
183.13895	64.3
184.14282	2.9
209.11792	6.7
210.12149	1.9
227.12929	2.7
235.08284	2.7
253.09396	4.6
279.23288	100.0
280.23636	9.4
302.32675	1.3
463.21884	2.2
725.45282	76.5
726.45502	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	727.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79379	1.0
59.01374	9.9
69.86355	4.5
71.01379	18.0
72.99310	3.0
73.02943	1.4
85.02956	1.4
87.00870	2.5
88.58116	0.8
89.02443	11.9
93.03455	3.5
98.20039	1.3
101.02445	3.5
105.13708	1.0
109.02957	1.4
113.02428	1.8
115.00372	27.9
116.92839	2.5
119.05027	23.2
125.02442	2.8
131.03488	5.1
133.01431	100.0
133.02863	6.2
134.01807	2.3
135.04465	1.4
149.04575	5.0
161.02472	1.9
163.00378	1.9
163.04013	26.9
164.04353	1.2
175.03967	2.3
191.03560	1.0
191.05611	2.3
201.02007	1.1
208.35587	1.1
213.05658	1.5
225.05653	1.0
239.06792	1.0
255.03021	1.7
267.07059	0.9
279.05157	3.7
284.03299	3.9
285.04044	9.4
293.04630	2.2
294.04749	1.3
297.04053	11.6
298.04788	9.3
299.05576	7.7
311.05667	3.5
325.03387	1.4
327.05081	45.0
328.05365	2.9
339.05115	3.8
341.06570	1.5
357.06131	34.7
358.06448	2.4
369.06143	1.5
429.08255	2.8
447.09299	91.2
448.09744	10.5
595.15637	4.2
667.31879	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51087	1.3
57.03436	4.8
59.01369	7.9
60.13515	1.4
61.24093	1.4
61.98820	6.1
71.01378	4.9
71.43471	3.3
73.02959	1.9
77.71946	1.4
78.95898	3.5
83.01341	1.4
83.05029	3.0
85.02965	2.0
87.00838	1.6
89.02435	3.4
95.05029	1.5
97.06588	3.0
97.12260	1.5
99.99068	1.4
101.02413	6.2
113.02442	3.1
123.08199	2.2
125.09701	6.1
139.11301	3.2
141.12886	2.9
154.07187	2.0
161.04530	2.4
167.10719	5.0
171.10246	2.3
173.04713	1.8
185.11826	60.2
186.12161	3.8
201.11305	8.4
209.11842	28.7
210.12132	6.7
211.09724	3.7
227.12857	10.9
228.13184	5.3
229.10678	1.7
235.08228	3.5
253.09317	11.4
255.23232	6.5
277.21719	93.7
278.22101	17.4
279.23199	22.5
319.22852	2.0
430.00995	1.4
707.38556	2.5
725.41046	100.0
726.41614	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	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01377	10.3
61.98818	3.5
69.03476	1.5
69.33112	1.1
71.01369	8.4
71.50770	1.4
75.00846	1.7
83.05016	1.5
85.02937	2.7
89.02449	3.7
97.06626	1.4
99.03128	1.4
101.02444	5.0
113.02443	2.9
125.09695	3.4
139.11263	1.8
141.12851	1.5
161.04530	1.4
167.10681	3.7
171.10248	3.8
173.04440	2.0
185.11826	100.0
186.12129	5.0
187.04213	1.3
194.34372	1.5
201.11307	6.0
209.11842	15.3
210.12056	3.9
211.13370	2.8
227.12888	14.1
228.13155	7.8
229.10724	2.2
229.13464	2.5
235.08186	3.7
238.63397	1.2
253.09312	8.1
277.21722	56.4
278.22137	14.9
279.22620	9.0
460.40259	1.4
465.19400	2.6
725.41193	92.2
726.41681	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77721	1.6
55.81032	1.6
57.03452	1.8
59.01380	9.1
61.98830	100.0
67.89556	1.6
71.01368	2.4
78.95892	14.1
87.00887	2.2
89.02471	3.4
101.02483	2.8
121.89845	1.7
125.02459	2.6
131.03465	2.8
132.28308	1.5
161.04590	1.9
173.17101	1.6
183.07431	1.8
183.13872	2.0
209.11754	9.9
211.13397	11.7
227.12860	3.8
241.01224	2.8
264.56485	2.3
273.16519	2.2
339.60373	2.0
447.22379	3.3
725.36078	5.8
725.76935	8.3
726.27509	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	725.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	16.1
61.98833	100.0
66.27580	3.7
71.01383	10.8
79.50266	3.5
80.00143	3.6
87.00886	4.2
89.02430	5.8
96.96040	4.1
98.48991	3.2
98.56328	3.7
101.02431	7.3
102.55253	3.1
109.02896	4.0
111.08150	3.3
113.02453	6.0
116.92867	4.3
163.45816	3.5
195.13797	4.6
201.11339	5.4
211.13376	5.4
223.13313	6.7
239.12836	4.0
289.06970	4.4
291.19672	50.3
397.13452	33.8
415.14584	13.6
474.39749	4.3
689.33740	21.7
712.47479	4.1
725.32288	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	725.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80481	0.5
55.37799	0.6
57.03430	0.7
59.01382	9.5
61.98828	0.7
68.53070	0.6
70.95628	0.6
71.01381	4.2
71.51549	0.8
72.99310	1.4
75.00873	0.9
85.02955	2.0
87.00873	2.3
89.02455	3.2
93.03429	1.3
95.01392	0.7
101.02451	1.2
112.98816	1.2
113.02448	1.8
117.03465	6.8
119.03464	0.5
119.05051	0.8
123.04560	0.7
125.02435	2.3
130.99834	0.8
131.01344	1.0
133.02948	1.3
135.04486	1.0
137.02437	0.8
149.00917	2.0
149.02374	0.9
161.02426	2.3
161.04399	0.5
163.03976	1.2
173.02428	5.0
173.04553	1.9
175.00394	7.0
175.01924	0.8
175.02458	0.6
175.04030	0.7
191.05634	2.0
209.04445	0.7
225.05713	0.7
243.10243	0.6
249.05563	1.0
251.03908	0.8
253.08611	1.0
267.07312	0.8
269.04581	2.7
281.04544	2.1
282.05203	0.7
283.06073	6.5
289.07239	0.9
293.04541	100.0
294.04886	10.6
295.06134	1.5
299.05582	0.8
311.05594	11.6
312.06061	1.6
314.04303	1.5
323.05536	2.3
327.05078	2.5
335.05579	1.9
341.06647	2.3
353.06580	0.9
357.05963	0.9
413.08737	28.7
414.09122	3.1
447.09259	1.3
473.10867	4.3
510.07010	0.5
533.12848	1.7
548.72235	0.7
575.14996	0.6
593.15100	66.5
594.15533	9.5
681.26605	0.8
725.15674	7.5
725.27789	1.1
726.16272	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
58.00590	0.6
59.01377	5.8
61.98828	0.7
69.53674	2.2
71.01379	5.5
73.02954	1.3
78.95884	0.4
78.97159	0.4
81.03473	0.6
83.01382	0.7
83.05038	1.0
84.02115	0.4
85.02962	1.4
87.00880	0.6
89.02435	3.4
97.06606	0.5
99.00926	0.4
101.02447	4.6
109.38800	0.4
111.08122	0.7
113.02431	2.4
119.03535	0.8
125.02450	0.4
133.05095	0.6
134.85776	0.4
145.05013	0.5
161.04552	1.5
163.11311	0.7
165.12845	6.4
179.05592	0.7
183.13889	100.0
184.14233	5.5
191.10764	0.4
196.77798	0.4
199.13350	0.6
209.11818	18.0
210.12155	0.9
227.12860	11.4
228.13148	0.5
235.08235	3.3
253.09259	6.1
277.21707	48.8
278.22052	4.5
332.22882	0.4
419.23068	0.7
445.20963	2.1
446.20697	0.4
463.21936	4.9
464.22000	0.7
533.97235	0.4
723.43201	57.5
724.43597	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	723.4321
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01864	0.8
55.55082	0.6
57.03441	0.8
59.01381	8.1
59.60960	0.5
60.17701	0.5
70.92683	0.9
70.92994	0.7
71.01377	6.4
73.02947	1.6
83.01389	0.9
83.05029	1.0
85.02956	1.6
87.00874	1.8
89.02447	4.4
97.06598	1.1
101.02439	5.1
111.08154	1.1
113.02467	2.4
119.03484	0.9
130.32826	0.6
134.44131	0.5
145.05000	0.8
146.66348	0.6
148.23404	0.6
151.76189	0.6
161.04552	1.9
165.12837	11.1
166.13181	0.8
183.13895	87.6
184.14268	4.1
191.28079	0.6
209.11842	9.6
210.12117	0.7
227.12869	7.3
235.08260	3.0
253.09271	7.6
277.21713	100.0
278.22101	8.5
384.28351	0.6
445.20871	2.5
463.21988	4.1
480.96249	0.6
723.43207	90.3
724.43610	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
59.01384	3.9
71.01382	3.2
73.02960	0.4
73.54419	0.2
78.62643	0.2
80.02688	0.9
81.03468	1.0
83.01392	0.4
83.05031	4.4
83.05544	0.3
84.02161	0.6
85.02965	1.0
87.00876	0.6
89.02446	1.9
94.39088	0.2
95.01389	0.3
95.05019	0.4
97.06538	0.2
99.00867	0.2
100.84782	0.2
101.02438	2.2
109.06611	0.3
113.02482	1.4
119.03501	0.4
122.18083	0.2
125.06100	0.4
131.08075	0.2
133.05125	0.2
135.08163	0.4
136.49409	0.2
145.05060	0.3
147.11810	0.3
161.04532	1.3
161.70827	0.3
163.11293	3.5
164.11690	0.3
165.12839	2.5
176.33014	0.2
178.76277	0.3
179.05484	0.3
181.12358	0.4
191.10753	1.0
199.13390	0.3
209.11824	100.0
210.12166	7.0
215.51659	0.2
227.12878	11.1
228.13214	0.8
233.22820	0.3
235.08189	2.8
253.06642	0.5
253.09294	9.7
254.09621	0.5
257.45581	0.2
259.20569	0.3
275.20163	0.4
277.21713	74.9
278.22058	7.5
286.83801	0.2
423.33011	0.3
445.20764	0.7
468.62772	0.2
510.95544	0.2
559.07495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89244	1.6
59.44321	1.7
61.98822	6.4
64.12191	1.9
71.08144	3.9
78.95909	47.1
83.05034	7.5
96.96948	3.7
102.53693	2.0
139.80937	1.9
152.99609	58.0
160.91948	2.3
162.24893	1.8
163.11279	5.4
165.12822	4.0
171.00623	5.9
193.03288	1.8
209.11835	100.0
210.12241	5.0
227.03273	7.1
227.12975	14.1
253.21729	26.7
259.15482	24.9
363.12253	3.4
395.14746	3.5
437.15976	5.1
455.16925	9.3
487.19528	94.3
488.19821	7.6
534.97986	2.0
660.21576	2.1
691.38184	7.1
723.40948	75.7
724.40778	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	723.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.2
61.98830	100.0
69.75420	15.1
70.80640	2.9
71.01385	4.1
71.49483	2.1
81.92973	2.4
83.03033	2.8
88.98783	5.8
89.39667	2.6
98.19967	3.6
109.02934	3.1
114.12672	2.2
123.04501	4.2
125.02460	5.2
135.30272	2.4
137.02411	3.7
143.10773	4.6
151.03951	3.1
171.10294	28.3
182.86780	2.6
193.54793	3.0
195.10207	12.3
197.11853	7.0
199.13376	7.4
203.12849	9.9
209.11797	9.4
211.13365	10.8
225.11368	3.5
226.38782	2.9
235.08266	3.2
241.14404	12.6
253.09239	7.9
273.17010	24.2
289.07117	7.2
397.13129	3.4
452.30414	3.0
570.10413	3.3
655.33813	2.7
723.33319	12.0
724.34448	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	723.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02698	1.8
56.16788	1.8
57.03449	2.0
59.01376	4.9
61.98830	100.0
62.98534	2.0
67.07330	1.5
67.63635	1.7
71.01379	2.7
71.52569	1.6
71.52981	2.1
82.60168	1.8
92.88988	1.7
101.02451	2.2
117.73172	1.8
121.02918	2.5
122.03737	2.0
123.04584	2.4
137.02406	4.3
161.02336	2.8
165.01904	4.1
167.23767	2.3
171.10226	3.2
175.02541	2.1
181.31102	2.0
197.11853	2.3
201.11320	7.3
209.11807	11.6
223.13416	13.5
227.12871	2.7
235.08397	2.3
253.09207	1.9
283.16373	1.8
289.07117	3.1
374.39166	1.8
379.62006	1.8
412.04062	2.0
445.20938	2.6
459.22018	2.9
469.59589	1.9
579.13220	2.3
592.74652	2.1
622.94971	2.1
643.33282	5.5
651.33972	2.5
705.34943	2.8
723.35181	16.4
724.35144	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01379	34.4
61.98834	7.7
62.46978	1.1
67.01881	1.4
71.01383	6.7
71.52333	1.8
72.99328	5.1
83.05022	3.1
84.99309	3.4
85.02940	4.0
85.51664	1.4
87.00879	24.7
88.98833	1.7
89.02435	2.9
93.03462	2.4
96.96043	2.0
101.02459	4.1
103.00378	20.5
109.02940	3.0
112.98817	38.2
113.02447	3.8
125.02445	7.3
130.06631	1.1
130.99863	6.3
133.02959	3.5
135.04498	4.1
137.02431	3.7
141.09221	100.0
142.09503	3.6
149.00928	3.1
151.03961	2.4
155.03389	1.3
161.02432	7.8
163.04039	1.3
173.04527	12.0
177.01906	5.0
179.03607	1.3
189.01971	2.9
193.05154	1.4
204.03207	1.1
215.34016	1.4
243.16934	1.4
267.07187	6.3
273.09802	81.7
274.10159	3.0
289.07190	2.0
335.07642	2.5
341.06482	1.8
553.11542	2.2
613.13739	1.5
621.47650	1.3
677.49677	10.0
723.29114	1.4
723.50531	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	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14668	0.9
55.01847	1.0
57.03450	1.0
59.01379	100.0
61.98830	33.0
71.01379	18.4
72.99303	1.7
73.02943	4.0
83.01379	2.1
84.02161	3.4
85.02930	6.4
89.02445	7.2
94.59467	1.0
95.01373	1.8
95.90309	0.9
98.19852	1.8
99.00859	1.8
101.02441	10.7
113.02448	10.2
116.54011	1.0
119.03500	2.3
161.04596	1.7
171.10289	1.0
179.10625	0.9
179.86702	1.0
185.06067	1.0
192.59875	0.8
195.10260	2.6
197.11829	2.7
209.11758	1.2
211.13417	1.5
455.35327	1.2
599.39233	2.7
617.40631	26.8
618.40863	3.6
635.41541	7.3
636.41644	1.4
659.41620	11.8
660.41681	2.2
677.42542	23.6
678.42755	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	723.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01366	0.9
59.32706	0.3
67.01889	3.6
69.03451	0.8
69.43916	0.4
69.44317	1.8
71.01379	2.7
81.03452	0.6
83.05028	1.0
85.02964	2.3
87.00902	0.7
93.03459	19.3
94.03796	0.4
95.05034	0.4
105.03468	1.8
107.05025	0.8
109.02944	1.2
109.80240	0.3
111.00848	0.5
111.04526	3.4
122.03672	0.4
123.04520	4.1
127.03970	0.7
133.02956	17.5
134.03641	0.7
135.04536	7.4
135.73512	0.3
137.02444	2.9
151.03996	2.6
155.03479	2.8
161.02432	0.5
173.04543	100.0
174.04866	3.4
177.01915	3.7
179.03496	7.1
179.04976	0.6
180.03915	0.5
186.10184	0.3
191.05600	14.7
192.05917	0.6
195.01198	0.7
195.02975	12.2
196.03357	0.7
281.54138	0.3
307.08194	0.5
351.07205	1.8
353.08746	9.2
354.08969	0.8
369.08215	17.4
370.08572	1.5
558.37769	0.4
638.64178	0.3
665.48047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58117	0.6
56.26490	0.6
58.56812	0.6
59.01103	0.9
59.01375	9.2
61.98833	3.0
64.93192	0.6
71.01376	7.2
71.51875	1.0
73.02937	1.7
81.03458	1.0
83.05026	1.8
85.02931	1.8
87.00883	1.7
89.02451	4.6
95.01376	1.9
95.05054	3.9
97.02959	3.9
97.06572	0.9
99.04552	0.9
101.02445	5.1
106.04237	0.9
109.02977	0.8
109.06593	7.2
110.03735	1.3
111.04533	1.8
113.02482	3.2
119.03510	1.5
120.51446	0.6
123.08168	0.9
125.09705	1.9
127.07627	0.6
134.43387	0.7
135.08186	1.0
138.87123	0.7
145.05078	1.7
149.09665	0.9
153.12895	0.6
161.04532	2.3
161.09711	2.0
163.11284	9.7
165.09187	0.9
179.05608	2.9
179.10756	2.0
181.12329	1.5
189.09212	5.7
197.11894	1.3
207.10251	30.9
208.10603	1.5
209.11787	2.0
211.13408	2.0
225.11314	100.0
226.11667	4.2
235.08218	8.6
253.09290	10.0
254.09566	0.8
277.21713	73.6
278.22067	6.7
291.19650	1.7
443.19254	9.1
444.19211	1.4
461.20282	18.8
462.20929	1.7
612.13165	0.7
683.40149	2.2
721.41772	11.6
722.42212	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.78185	0.2
57.03446	0.6
59.01377	4.5
61.11388	0.2
61.98837	0.6
65.23438	0.2
69.03472	0.7
70.37450	0.9
71.01380	4.0
71.05016	0.9
73.02939	1.1
73.59671	0.2
78.95930	0.3
79.26102	0.2
83.01387	0.7
83.05035	0.5
85.02946	1.3
87.00884	0.8
89.02450	1.3
91.04021	0.3
95.01385	0.3
95.05036	0.6
97.02950	5.1
97.06590	1.5
99.00883	8.7
101.02440	2.8
101.87359	0.2
107.46423	0.2
109.06616	1.5
110.03754	1.0
111.04596	0.3
113.02463	1.2
119.03482	0.2
123.08176	0.8
125.02478	0.7
125.09715	2.2
127.07616	0.4
129.02048	0.3
135.08182	0.6
135.74107	0.2
136.05295	0.6
142.02673	1.5
145.05028	0.4
145.10181	0.3
161.04538	0.8
161.09720	0.5
163.11296	5.3
164.11623	0.3
179.10768	0.5
181.12340	9.0
182.12686	0.6
189.09218	0.4
197.11864	0.5
199.13409	0.7
207.10257	32.7
208.10616	1.5
225.11320	61.0
226.11647	3.3
235.08237	2.7
243.12381	7.7
244.12677	0.6
253.09309	3.8
259.20758	0.3
267.12323	0.5
275.20102	0.6
277.21713	100.0
278.22058	7.6
281.13956	0.3
299.14975	0.5
345.15756	0.3
366.14410	0.3
443.19180	4.6
444.19226	0.4
461.20297	7.4
462.20636	0.9
513.30731	0.4
577.37451	0.7
721.41626	19.8
722.42200	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	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01376	3.1
61.98824	0.7
69.03448	0.4
69.35399	1.2
69.35802	0.8
71.01382	3.5
71.05016	0.9
73.02944	0.7
81.03439	0.4
83.01400	0.6
83.05034	0.7
85.02959	0.8
87.00875	0.7
89.02445	1.4
95.01391	0.3
95.05025	0.3
97.02949	5.6
97.06600	1.2
99.00883	9.3
101.02437	2.7
109.06570	1.4
110.03744	0.8
111.04534	0.3
113.02491	1.6
119.03497	0.7
121.94820	0.3
123.04526	0.6
123.08158	0.6
125.02465	0.7
125.09737	2.2
135.08128	0.9
135.18369	0.3
136.05327	1.0
142.02698	1.6
143.03479	0.4
145.05046	0.6
159.84491	0.3
161.04582	0.6
161.09778	0.5
163.11272	5.3
164.11588	0.3
168.35593	0.2
179.10756	0.6
181.12338	9.9
182.12546	0.3
187.12825	0.3
195.13861	0.3
197.11763	0.4
199.13406	0.5
207.10251	32.5
208.10562	2.1
209.11900	0.3
223.13519	0.3
225.11311	58.7
226.11633	3.9
233.22656	0.4
235.08224	3.2
243.12361	9.2
244.12704	0.5
253.09283	3.8
259.20569	0.4
267.12527	0.5
275.20087	0.6
277.21707	100.0
278.22046	7.5
281.14148	0.3
299.15070	0.3
337.74936	0.3
405.17603	0.4
443.19211	4.9
444.19528	0.7
461.20255	7.5
462.20505	0.6
577.37482	0.5
721.41638	19.0
722.41962	3.6
752.26263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35897	0.9
54.17091	0.9
56.86796	0.8
57.72388	0.9
59.01379	8.5
61.98819	3.9
69.26942	1.9
69.27351	5.6
70.64748	1.2
71.01374	7.3
72.99277	1.2
73.02924	1.2
74.14342	0.8
78.95901	1.1
83.05029	1.7
85.02954	2.6
87.00871	1.5
89.02439	5.5
89.97106	0.9
95.01354	2.0
95.05005	4.3
97.02935	4.3
97.06587	1.3
99.04535	0.9
101.02448	5.7
101.13138	0.9
109.06606	8.1
110.03733	1.6
113.02419	3.0
119.03477	1.2
125.09719	3.4
135.08211	1.2
145.05083	1.7
145.10286	1.0
161.04613	2.3
161.09691	3.1
163.11298	8.6
169.12320	1.1
179.05644	1.2
179.10818	1.9
180.49367	1.0
181.12419	2.1
189.09125	4.2
197.11807	1.4
207.10260	31.2
208.10558	1.9
209.11794	1.8
211.13290	1.7
225.11311	100.0
226.11609	5.3
235.08252	10.3
253.09259	9.7
277.21719	77.4
278.22025	6.2
281.24142	1.2
443.19131	7.8
461.20285	15.3
541.83545	0.9
683.39923	3.3
684.40967	1.2
685.40356	1.1
721.41608	12.7
722.42285	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62946	1.1
57.03426	1.9
59.01373	9.6
61.98829	100.0
69.03470	1.7
71.01384	7.5
71.05009	4.0
71.53216	2.1
74.83536	1.2
80.96529	1.3
83.05031	4.3
83.06637	1.4
84.02174	1.4
85.02969	4.4
87.00883	3.1
89.02435	4.6
97.02946	4.1
97.06583	3.0
99.00872	17.5
101.02448	5.5
109.02937	2.0
113.02422	3.6
119.04991	1.5
125.02500	1.6
125.09713	7.9
153.12866	1.3
161.02388	1.5
161.09747	1.4
163.11275	13.2
165.12843	1.6
171.10258	10.3
173.04510	1.9
181.12347	21.7
193.05103	1.6
197.11821	12.8
199.13394	10.6
200.13580	1.2
203.65805	1.3
205.04976	1.3
207.10249	28.0
209.11826	45.7
210.12102	2.2
225.11307	39.7
227.12869	4.9
229.01479	1.2
234.58852	1.4
243.12347	23.0
253.09291	3.9
259.15497	5.7
289.07175	2.7
459.81131	1.3
461.20245	1.9
479.21228	6.3
671.32275	1.6
685.31818	1.8
687.32336	17.6
688.32770	3.3
689.33850	92.4
690.33948	15.5
721.36816	16.7
722.37262	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	721.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18790	8.5
59.01376	33.8
61.98835	100.0
70.58969	28.1
71.01377	16.4
76.74498	7.9
92.14009	10.1
109.03013	12.9
123.04532	14.2
125.02364	12.9
134.31720	9.2
161.02313	12.2
171.10112	9.4
182.22174	10.1
195.10277	23.6
209.11722	19.0
211.13365	57.9
213.39366	8.9
217.57397	9.1
223.13435	21.0
289.07278	23.3
337.47632	10.2
366.41257	9.9
537.84369	10.5
656.04480	10.0
721.35138	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	721.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09958	0.5
57.03444	0.7
57.50081	0.5
59.01373	1.8
64.20955	0.6
67.01888	1.6
69.56592	2.9
71.01395	2.7
81.03442	0.8
83.01393	0.6
83.05007	1.1
85.02957	9.4
87.00875	2.2
89.04002	0.6
93.03462	11.7
98.19961	0.6
99.04543	0.5
102.36256	0.4
105.03421	0.7
108.02190	0.5
109.02958	2.6
111.04519	3.5
115.00407	2.7
117.03468	3.7
121.02972	1.1
122.03746	1.6
123.04543	1.2
124.01720	1.1
125.02469	7.6
126.02802	1.1
127.04064	2.5
133.02960	4.2
134.03752	32.4
135.04552	14.7
135.11627	0.5
136.04868	1.0
137.02466	3.3
147.04587	0.7
148.05304	1.2
149.02449	1.6
149.06093	2.7
151.04074	1.5
155.03502	3.2
161.02434	2.7
161.06110	1.5
163.04021	1.1
165.01932	0.6
173.04558	33.6
174.04980	1.0
175.03970	0.9
177.01903	1.4
177.73975	0.5
179.03517	13.2
179.14211	0.7
180.03828	0.6
191.05624	100.0
192.05937	3.5
193.05067	45.0
194.05379	2.7
203.50954	0.5
205.05138	0.5
217.05061	0.7
219.03258	0.5
241.05089	0.8
242.05884	5.4
243.03033	0.9
243.06348	1.0
245.04535	0.5
257.08215	8.7
258.08328	0.8
270.09048	1.9
285.11331	8.2
287.05646	1.2
289.07159	1.7
324.58563	0.6
329.10275	1.1
347.56723	0.5
352.07620	0.6
353.08783	13.9
354.09210	1.2
355.04468	1.0
367.10364	20.2
368.10544	2.4
373.05038	0.8
373.09348	11.0
374.09689	0.5
442.63635	0.5
529.09851	0.7
547.14606	5.3
554.71521	0.5
721.20032	7.8
722.20325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	7.5
59.01386	1.4
65.41211	1.3
70.02993	6.0
71.26835	1.2
71.52473	1.4
72.00916	2.7
74.02479	38.5
89.14976	1.2
93.03486	2.2
98.02490	8.3
116.03546	8.2
116.05080	14.9
117.03490	5.7
121.02981	1.5
130.06674	1.5
135.04530	1.9
142.06625	3.5
149.02505	2.2
149.79190	1.1
159.04526	1.9
159.09323	3.0
161.02480	3.3
163.04021	3.2
173.04565	1.2
201.10266	2.8
203.08270	40.2
203.70116	1.4
204.08531	1.4
221.50327	1.3
239.07024	2.1
245.09328	100.0
246.09689	6.4
268.03842	2.5
269.04556	3.6
281.04565	3.1
282.05292	1.4
283.06128	42.4
284.06445	4.0
293.04678	1.4
311.05646	66.2
312.06024	5.0
323.05594	3.9
341.06647	11.3
431.09854	94.7
432.10144	9.8
486.76950	1.4
731.21246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03443	0.6
59.01380	5.9
61.98827	4.7
64.01215	0.2
68.49953	0.2
69.03455	2.0
71.01378	3.8
71.05010	0.6
73.02968	0.6
81.03448	0.3
83.01409	0.4
83.05035	0.7
85.02961	0.9
85.06560	0.3
87.00874	0.6
89.02440	2.6
93.03500	0.3
95.01408	0.3
95.05032	0.4
98.20727	0.5
98.80199	0.2
99.00880	0.3
101.02444	3.0
106.74631	0.2
109.06594	0.5
113.02450	1.6
119.03525	0.7
123.08231	0.2
125.09708	0.4
127.07660	0.3
135.11816	0.3
138.79106	0.2
143.03473	0.3
145.05086	0.3
146.40144	0.2
149.09720	0.7
157.59207	0.2
161.04558	1.3
161.13362	0.2
167.10799	2.5
177.12796	0.4
179.05659	0.7
179.10762	0.9
179.14410	3.3
183.49123	0.2
187.11209	0.4
195.13899	9.7
196.14284	0.5
205.12331	10.2
206.12708	0.4
215.35440	0.2
223.13383	100.0
224.13721	4.6
235.08192	2.8
253.09270	9.1
259.20776	0.3
277.21707	77.7
278.22031	5.9
289.16550	0.2
397.37744	0.3
441.21155	1.8
459.22382	8.9
460.22781	0.9
513.30347	0.3
652.30914	0.3
693.90607	0.3
719.43304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52721	0.5
56.49245	0.6
57.03429	1.2
59.01376	5.6
61.98829	22.3
69.03471	3.7
69.21830	5.4
71.01380	4.5
71.05013	1.2
73.02967	1.4
76.43391	0.7
83.05020	1.0
84.02166	0.8
85.02962	1.7
86.74881	0.6
87.00883	1.4
89.02441	2.0
93.03443	0.6
97.02928	1.2
97.06595	0.7
98.19861	1.3
101.02428	4.4
113.02427	1.8
115.00356	1.1
119.03493	0.6
123.08161	1.6
125.09718	3.5
137.09691	0.8
139.11324	0.9
145.05032	0.7
151.11267	2.5
153.12877	1.5
155.10771	2.1
161.04530	0.8
161.09691	3.5
163.11227	1.1
165.09256	0.7
165.12865	1.3
175.02321	1.4
179.05527	0.7
179.10716	5.9
183.10223	8.2
185.11859	0.8
195.10269	0.8
197.11821	59.4
198.12161	3.1
199.13367	0.9
201.11333	1.3
209.11823	11.3
210.11978	0.7
223.09753	1.0
227.12857	6.1
236.09315	0.7
241.10762	2.8
253.09233	3.1
259.15475	50.0
260.15848	2.4
273.17044	6.7
477.19992	1.7
485.36276	0.6
687.32404	6.9
688.32654	1.1
719.34930	100.0
720.35229	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	719.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03549	0.9
59.01186	1.4
59.01511	3.6
61.98608	2.8
61.98970	7.2
69.03607	3.9
70.46191	2.1
71.01121	1.3
71.01544	3.9
71.04821	0.8
71.05150	1.3
73.03067	1.2
80.02793	0.7
81.03196	0.7
81.03602	1.5
83.04669	1.7
83.05214	4.4
83.96088	0.6
84.02303	1.0
85.03129	1.2
87.01038	0.9
89.02119	1.3
89.02618	2.0
96.18224	0.7
97.06705	0.9
98.19948	0.8
101.01927	1.1
101.02652	4.9
113.02636	1.3
123.08318	1.0
125.09960	2.9
151.11507	2.1
153.13065	1.6
161.04755	0.9
161.09982	3.4
163.11559	3.9
165.13087	2.2
179.11057	8.9
180.11325	0.8
181.12540	0.7
191.10886	0.8
197.10136	3.5
197.11835	69.6
198.12218	4.9
209.11824	58.6
209.48314	0.8
210.12195	4.7
223.10023	1.2
227.12906	4.7
235.08394	0.7
241.10815	4.3
241.77295	0.7
253.09636	3.0
259.15836	2.1
273.17236	1.2
459.18524	0.9
477.19861	2.1
687.32294	100.0
688.32788	17.7
719.34900	29.8
720.35205	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	719.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.8
61.98832	100.0
68.52494	1.5
71.51182	2.1
71.61105	1.7
71.66579	1.7
74.81754	1.6
91.93073	1.7
98.40838	1.6
109.97713	1.6
110.42229	1.5
209.11794	4.3
211.13365	4.4
217.14453	17.2
223.13390	10.6
235.08408	2.1
241.14412	3.2
253.09323	2.5
255.23331	2.3
273.16971	2.7
319.22406	1.9
483.26917	2.0
487.43384	1.9
520.17291	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	719.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34206	1.0
53.14883	0.8
57.03446	9.9
59.01355	3.4
61.98845	5.3
66.24137	0.9
71.01376	2.3
71.52781	1.4
72.47594	0.9
77.03977	1.3
81.03429	1.4
83.01385	2.6
83.31401	1.0
85.02939	1.2
87.00858	1.2
89.02458	2.0
93.03459	2.3
95.04996	1.6
97.02934	1.3
101.02422	2.0
108.02194	1.2
108.11463	0.8
109.02954	15.4
113.02441	1.8
117.03464	6.3
121.02947	3.8
123.04500	5.6
125.02448	100.0
126.02752	3.2
129.91602	1.0
133.02922	3.3
135.04532	2.5
137.02440	5.3
147.04523	1.1
149.02419	2.6
150.03188	3.0
150.95139	1.0
151.03981	4.4
160.05257	1.0
161.01125	1.8
161.02441	30.4
162.03082	2.6
163.00421	1.1
163.03958	2.5
164.01134	2.5
165.01913	5.2
165.05573	1.3
166.05060	1.7
175.03995	2.5
177.01962	1.1
187.04036	1.3
188.04585	1.4
199.03999	2.6
203.03395	1.0
203.07098	2.7
205.05029	4.3
211.04030	1.8
211.07756	1.3
212.04720	1.1
213.05540	7.2
213.13309	0.9
221.08069	1.3
225.05518	2.1
237.05556	1.4
239.07056	1.6
240.04195	1.0
242.02203	1.2
243.02963	11.0
243.06636	1.4
245.08185	5.0
253.05002	1.5
255.02991	10.9
255.06717	1.0
256.03561	1.9
257.04562	12.3
267.02924	1.6
269.04547	14.5
270.04819	1.3
281.04501	7.5
282.05206	4.2
283.06094	40.4
284.06311	3.0
285.04053	32.2
286.04376	2.3
287.05643	17.4
288.05969	1.8
289.07190	36.9
290.07449	2.3
293.04315	1.2
295.06134	6.6
297.04044	12.5
298.04233	1.2
299.05664	2.3
309.04053	4.5
311.05597	68.6
312.05951	5.6
314.04321	2.3
315.05127	28.8
315.08646	2.8
316.05386	2.5
323.05600	10.0
325.07233	1.3
327.05194	1.3
339.05267	1.5
341.06659	19.3
342.07074	1.2
351.05038	1.5
353.06595	3.0
387.07260	2.8
405.08063	2.7
425.12259	1.3
431.09821	56.7
432.10272	5.5
437.08875	1.3
447.07236	8.8
473.08948	5.9
477.07977	2.0
503.09988	1.5
549.10394	2.3
555.12494	1.5
567.11377	23.3
568.11761	3.6
577.80133	1.0
593.13037	13.0
594.12994	1.9
599.11737	2.4
675.16846	1.8
701.15015	1.4
719.15674	19.6
720.16638	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	718.402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31148	0.1
59.01378	0.4
61.98832	100.0
83.09272	0.2
85.81045	0.2
85.86776	0.1
106.67742	0.1
154.00046	0.2
159.10286	0.7
160.10640	0.3
161.10675	0.2
165.09201	0.2
205.08792	0.2
210.12238	0.2
221.11900	0.4
254.22063	0.2
255.23154	0.2
277.21643	0.7
278.22141	0.3
279.22711	0.2
354.63913	0.2
477.66446	0.2
709.80334	0.2
718.43146	0.2
719.39752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47307	0.2
59.01379	0.6
61.98831	100.0
78.95896	1.5
79.57116	0.2
81.93862	0.2
98.19911	0.4
100.38531	0.2
109.93568	0.2
140.01204	0.4
147.08118	0.2
159.10281	0.4
169.64964	0.2
196.03865	0.3
203.74409	0.2
205.08653	0.4
209.11832	1.8
221.11882	0.4
222.12254	0.3
222.70305	0.2
227.12856	0.3
253.09314	0.3
254.22205	0.2
259.15521	1.0
277.21744	2.0
278.22208	0.9
279.23285	8.4
280.23642	0.9
456.20032	0.3
509.06311	0.2
541.06830	0.3
577.17255	0.3
686.40302	0.6
718.43097	2.8
719.42426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20689	0.1
59.01379	0.2
61.98830	100.0
62.98528	0.1
67.70236	0.1
69.48700	0.2
69.49103	0.7
71.01399	0.3
88.98843	0.1
95.93786	0.1
98.20722	0.2
113.10851	0.1
165.10954	0.1
209.11865	0.2
215.12984	0.2
227.12978	0.5
241.14584	0.2
259.15634	0.2
266.74130	0.1
273.17050	0.6
471.23093	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	718.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09742	0.1
59.01394	0.2
60.88207	0.1
61.98831	100.0
71.01389	0.3
76.99292	0.1
85.02982	0.2
89.26202	0.1
96.17439	0.1
101.02449	0.2
146.60114	0.1
157.53764	0.1
171.10294	0.5
175.81003	0.1
183.13910	0.2
209.12019	0.2
211.13400	0.2
223.13321	0.2
225.11383	0.2
227.12978	0.4
253.09393	0.3
273.17212	0.5
290.90656	0.1
336.19455	0.1
415.24564	0.2
522.91876	0.2
625.16412	0.1
656.86194	0.2
718.34344	0.3
719.36597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59570	0.2
54.05423	0.1
61.98832	100.0
85.15327	0.1
94.08313	0.1
138.30339	0.2
157.08665	0.8
158.09041	0.3
159.09288	0.2
197.11755	0.1
217.82152	0.2
229.29321	0.2
255.23166	0.3
277.21658	0.2
278.22058	0.3
716.42719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44567	0.3
59.01391	0.8
61.98830	100.0
62.75932	0.3
70.60136	0.4
71.51601	0.6
76.69450	0.4
167.49272	0.4
171.10258	0.4
183.13951	1.3
197.11877	0.5
204.18835	0.4
209.11821	2.4
210.12247	0.7
211.13379	3.1
212.13799	1.0
227.12894	0.6
273.17206	1.5
288.06586	0.4
377.74561	0.4
391.29352	0.3
631.11737	0.4
718.39722	0.5
719.39673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03048	0.1
59.01374	0.3
61.98830	100.0
62.98537	0.1
89.02425	0.1
129.83699	0.1
150.13953	0.1
186.38370	0.1
191.97960	0.1
198.96446	0.1
255.23152	0.1
256.23627	0.1
321.16592	0.1
618.94757	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.1
61.98830	100.0
62.98538	0.1
68.80204	0.1
71.50283	0.1
79.38235	0.1
82.70140	0.1
126.51947	0.1
179.55762	0.1
227.72725	0.1
233.42673	0.1
249.84093	0.1
255.23232	0.2
256.23773	0.1
287.26315	0.1
398.13907	0.1
399.13885	0.1
424.16025	0.1
448.40543	0.1
457.47037	0.1
624.06067	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34066	0.2
59.01386	0.4
60.69972	0.2
61.98830	100.0
62.91907	0.2
88.80379	0.2
108.15971	0.2
122.37203	0.2
126.41953	0.2
128.73297	0.2
157.08694	0.4
161.96881	0.2
183.30728	0.2
255.23441	0.3
277.21750	0.4
279.23062	0.4
397.13669	0.3
465.71954	0.2
532.71704	0.2
716.43866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.98831	21.5
63.02383	1.0
65.00316	1.4
69.85326	1.7
69.85732	2.8
71.01360	2.2
72.99303	0.7
83.01373	1.4
85.02924	1.1
87.00895	1.0
88.98798	2.6
89.02462	1.6
93.03454	0.7
96.12432	0.6
101.02462	1.6
107.01395	1.9
109.02952	1.8
113.02451	1.2
119.04984	0.8
120.01261	4.4
121.01132	0.7
121.02932	2.0
123.04493	0.8
123.34818	0.7
125.02466	1.6
133.02975	5.5
134.03738	0.7
135.04485	1.6
137.02432	1.3
147.00896	1.3
148.01648	1.0
149.02435	3.7
150.03223	2.6
151.00322	3.6
151.03941	0.7
163.03981	0.9
164.03491	0.7
164.04805	1.6
165.05583	1.6
175.00331	3.6
175.04012	2.6
176.01154	6.1
177.01859	1.1
179.03485	1.5
190.02715	8.8
191.03464	9.4
192.04344	0.9
192.59862	0.8
194.02129	1.1
199.04013	1.9
205.05107	5.2
209.04477	2.7
213.05424	1.0
217.05124	0.8
227.03476	1.1
241.05153	0.8
255.02922	2.0
256.03793	1.4
284.03262	42.3
285.04025	93.3
286.04355	6.2
289.07141	0.7
299.05591	18.8
300.05966	1.2
327.04724	0.9
343.89182	0.8
353.08643	5.7
370.10858	0.8
653.15094	100.0
654.15302	11.6
715.30762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69273	0.7
57.03468	1.7
59.01385	7.6
61.21261	0.8
61.98824	0.9
69.31860	0.7
70.45126	1.6
71.01389	11.5
72.99306	2.9
73.02967	1.3
75.00875	12.1
79.99326	0.8
85.02956	11.4
87.00892	4.7
89.02428	2.2
90.04531	0.9
95.01382	3.0
97.06493	0.7
99.00891	7.2
103.00372	1.4
111.08180	0.8
113.02451	10.0
115.00331	1.0
117.01911	2.2
129.01959	1.0
155.88968	0.7
157.01318	0.8
165.12874	4.3
175.02492	2.3
183.13913	41.8
184.14252	2.3
192.73521	0.7
193.03441	0.8
209.11809	2.5
227.12938	1.5
249.06169	1.5
255.23311	64.7
256.23624	6.4
459.38483	1.8
471.50262	0.8
505.29980	1.9
506.30637	1.1
539.39459	2.4
653.42767	6.0
654.42828	1.5
670.78094	1.0
671.43085	1.0
697.42133	1.8
715.42761	100.0
716.43073	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	715.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23017	0.4
55.04472	0.5
58.58082	0.5
59.01381	12.8
61.98839	2.7
71.01388	1.6
71.08852	0.8
73.02951	0.5
78.57942	0.4
83.01390	0.5
85.02940	0.5
87.00876	0.9
89.02460	1.5
101.02406	2.3
113.02458	1.4
113.09721	4.4
133.02986	0.8
135.04535	0.6
143.20409	0.4
145.05077	0.6
157.08768	0.8
159.10268	70.0
160.10663	2.6
161.02444	1.5
161.04529	1.2
174.64803	0.4
179.05606	0.6
228.02209	0.5
235.08244	4.9
253.09283	13.0
277.21716	100.0
278.22055	8.6
339.39072	0.5
395.19000	0.6
419.31610	4.4
513.30658	1.3
514.31213	0.6
715.43799	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	715.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39651	0.5
55.01884	0.5
56.70421	0.5
59.01376	5.2
64.58347	0.6
69.03460	4.2
71.01385	4.2
71.05019	1.5
71.28693	1.1
73.02948	1.6
85.02961	1.7
87.00896	0.7
89.02455	2.3
90.48529	0.5
95.01405	0.7
97.02987	0.7
97.06594	0.8
100.04108	0.5
101.02445	3.3
108.02211	0.5
111.77137	0.5
111.99984	0.5
113.02451	1.6
123.08172	1.0
125.09730	1.8
151.11252	2.6
153.12823	0.9
161.04553	1.5
161.09697	3.9
179.10759	6.8
197.11821	39.8
198.12151	1.6
214.27888	0.5
223.09720	0.9
235.08246	0.7
241.10783	2.1
253.09184	2.7
255.23283	75.0
256.23621	5.6
329.87457	0.5
372.25125	0.5
459.18790	0.9
477.19958	1.1
569.87817	0.5
715.42700	100.0
716.43079	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	715.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17294	0.5
59.01381	11.9
61.98819	1.2
63.73398	0.4
69.77388	0.4
71.01382	1.8
77.45650	0.5
89.02434	2.1
92.49759	0.5
101.02440	2.0
113.02429	1.0
113.09734	5.5
141.09285	0.7
153.43048	0.5
156.30452	0.4
157.08755	0.5
157.52727	0.4
159.10268	100.0
160.10619	4.0
161.04553	1.2
226.22815	0.4
228.95517	0.4
235.08234	1.7
253.06699	0.7
253.09291	14.1
254.09694	0.5
255.23250	0.7
277.21713	52.2
278.22061	4.8
302.22189	0.4
336.09702	0.4
350.57291	0.6
395.19370	1.2
419.31735	10.5
420.32123	1.8
513.30249	0.5
742.55676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64449	1.2
57.03451	2.0
58.04543	1.2
59.01377	10.1
61.91776	1.0
61.98546	1.5
61.98832	20.1
69.03461	5.4
71.01383	8.0
71.05044	5.4
72.99300	1.3
73.02968	3.0
83.04984	1.8
85.02940	1.8
87.00867	1.8
89.02435	4.2
96.96005	4.9
97.02922	2.2
97.06605	2.1
97.25216	1.1
99.00893	1.4
101.02450	7.8
113.02421	2.4
123.08131	5.7
125.09721	4.1
134.75589	1.4
140.89505	1.4
151.11293	2.6
153.12833	1.7
161.09683	4.9
171.10202	1.5
177.09138	1.7
179.10764	19.5
181.80292	1.2
197.11821	71.4
198.12125	4.6
211.13364	31.9
212.13770	1.9
223.09792	3.3
237.11320	1.2
238.50876	1.4
241.10802	4.8
253.09271	3.2
255.12358	15.0
256.12717	1.3
380.37601	1.2
398.01224	1.2
459.18900	1.7
477.19693	2.3
595.24237	1.2
611.34381	2.2
629.35272	2.1
664.82874	1.2
715.31769	100.0
716.32208	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	715.1691
Annotation	Catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
52.26201	0.7
52.46485	0.8
69.03437	0.8
69.62589	3.8
71.01372	2.8
81.03464	3.1
83.05042	6.9
85.02972	1.2
87.00886	5.0
93.03468	17.1
94.03838	1.0
98.19915	1.7
108.02194	4.3
109.02953	11.2
111.04533	23.2
112.04881	1.5
113.00527	1.2
113.27368	0.8
115.00363	2.1
119.05018	3.2
120.05412	1.0
121.02934	2.9
123.04549	2.2
127.03992	2.2
135.04543	5.4
137.02455	4.8
137.04114	1.1
138.50391	0.9
148.05325	2.3
149.06126	1.8
155.03511	23.7
156.03969	1.0
161.02431	1.0
161.06087	3.8
163.04060	3.0
164.04347	1.2
173.04556	6.4
174.04927	1.1
179.03456	2.7
191.05574	1.8
198.04524	1.1
199.04213	14.8
200.04631	1.1
241.05142	1.2
242.05905	12.7
243.06525	5.9
268.05182	0.9
269.04678	9.5
270.05020	1.0
271.09760	7.3
272.10242	1.0
297.04202	1.7
309.07883	1.6
337.07529	2.3
353.08694	1.2
354.08633	1.9
355.08459	30.6
356.08765	2.4
373.09427	2.5
410.22754	0.9
425.10962	1.1
526.16144	0.9
715.16980	100.0
716.17194	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	713.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41750	8.2
74.07578	1.0
98.20689	1.9
118.96959	1.0
118.97855	1.0
119.76985	1.0
133.78745	1.0
146.49773	1.4
371.71420	1.2
677.49603	2.7
713.47363	100.0
714.47571	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	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05223	0.4
58.00612	0.4
59.01381	19.4
61.98837	0.7
67.28910	0.5
71.01384	2.2
72.99298	0.4
73.02946	0.5
82.49996	0.4
84.78848	0.4
85.02953	0.6
89.02455	1.6
94.37203	0.5
95.49921	0.4
97.33486	0.4
98.53237	0.5
99.11652	0.4
101.02431	2.2
109.06594	0.6
111.08155	2.0
113.02452	1.2
113.09727	1.9
119.03496	0.5
139.07660	3.2
157.08704	83.8
158.09019	3.3
161.04585	0.7
235.08261	3.9
253.09279	7.5
253.21742	1.3
277.21719	100.0
278.22046	8.6
289.03580	0.5
393.17676	0.7
513.30432	1.4
540.38348	0.5
713.40894	2.5
714.41138	0.9
716.09192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.4
59.01373	11.5
71.01376	16.5
72.99294	5.7
75.00529	1.5
75.00878	17.4
78.95878	3.2
85.02953	20.8
85.25198	1.5
87.00891	6.8
89.02428	4.5
95.01376	6.0
96.96963	1.7
97.02939	2.9
98.19836	2.2
99.00883	14.5
103.00357	1.8
113.02466	17.3
114.19499	1.2
115.00351	2.4
117.01932	2.4
125.09690	1.6
125.90522	1.1
129.01939	1.7
140.01190	1.3
163.11250	3.1
175.02391	3.7
181.12312	8.4
193.03398	1.7
207.10245	16.0
225.11302	24.9
226.11742	1.5
249.06139	2.9
255.23285	76.3
256.23572	9.3
277.21677	11.4
278.22046	8.3
279.23111	1.4
457.17252	1.9
505.30118	4.5
669.42126	4.4
713.41052	100.0
714.41345	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	713.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.64143	0.4
57.03432	0.5
59.01381	17.0
60.94972	0.5
61.98847	0.6
69.03444	1.7
71.01385	3.6
73.02959	0.7
85.02957	1.1
89.02455	2.5
94.35704	0.5
98.20694	0.9
101.02466	2.7
111.08167	2.2
113.02457	1.9
113.09715	3.6
119.03503	0.8
125.09695	0.7
139.07668	2.1
143.03426	0.5
143.10794	0.5
151.11299	1.4
157.08699	100.0
158.09048	3.2
161.04559	1.1
161.09732	1.3
179.10789	2.8
188.95367	0.4
189.93069	0.6
197.11830	16.7
235.08244	2.2
239.13855	0.6
253.09271	7.2
253.21724	30.4
254.22000	2.0
264.81198	0.5
277.21716	51.2
278.22107	4.2
291.19727	0.5
307.48578	0.5
393.17703	2.0
713.41174	35.3
714.41711	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	713.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.2
59.01381	8.1
61.98833	24.1
71.01396	6.9
71.51323	1.5
71.51771	2.5
81.03453	1.9
83.01382	1.6
83.05015	1.6
87.00876	2.2
89.02443	3.8
95.04989	2.9
96.95998	3.0
97.06582	18.2
101.02439	6.0
113.02444	3.7
116.09927	1.6
123.08176	10.4
125.09724	100.0
126.10023	3.4
161.04619	2.5
163.11246	1.6
171.10374	2.0
185.11781	2.1
187.08116	2.9
187.09755	52.5
188.10017	1.8
201.11285	4.9
207.10252	3.6
209.11813	20.2
221.15305	1.9
223.13194	1.6
225.11264	1.9
227.12860	4.1
235.08145	2.6
245.18985	3.3
253.09273	5.9
289.18021	8.6
293.21356	1.8
307.19113	7.3
321.82562	1.6
405.17517	8.0
423.18793	13.1
440.03452	1.5
479.48447	1.6
495.31125	1.7
518.91309	1.6
526.77692	1.6
597.28857	3.1
615.30316	4.9
695.36713	2.3
707.11340	1.9
713.37531	65.4
714.37817	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	713.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47480	1.0
53.45670	1.0
54.55087	1.0
57.03446	1.1
59.01379	1.8
65.72697	0.9
67.01888	4.4
69.26709	4.9
69.27130	4.0
71.01382	6.2
72.13288	1.0
74.02470	2.8
83.04999	1.5
85.02953	6.9
87.00886	1.5
93.03468	28.0
98.02485	3.1
100.35571	1.0
105.25369	1.1
108.02197	14.1
109.02959	35.7
110.03278	1.1
111.04533	5.7
115.00365	3.1
115.54731	1.0
121.02962	4.6
122.03727	1.9
123.04516	2.4
124.01630	1.2
127.04010	2.5
133.02963	3.8
134.03738	4.1
135.04530	73.8
136.04860	2.8
137.02438	4.6
146.03763	1.0
147.04544	1.4
148.05304	3.5
149.06087	5.8
155.03484	5.9
160.69128	1.0
161.02438	3.8
161.06116	10.2
162.06871	1.9
163.07677	2.8
173.04552	100.0
174.04890	3.1
179.03503	68.8
180.03848	3.2
181.96811	1.0
191.05617	44.8
192.05945	1.2
213.05568	1.7
241.05092	3.7
242.05861	49.5
243.06560	9.6
269.08249	6.1
270.08484	2.4
271.09756	67.2
272.10095	3.9
315.08798	1.5
353.08765	84.6
354.09113	4.9
358.16003	2.8
359.07709	73.9
360.08075	5.7
630.50055	1.3
683.26495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64333	1.3
59.01371	2.6
67.01894	4.0
71.01377	6.9
74.02490	1.3
85.02961	5.6
87.00883	2.5
92.21036	1.2
93.03465	25.1
93.75436	1.0
98.20628	4.6
98.97921	1.1
103.98913	1.1
107.04962	1.5
108.02158	10.3
109.02956	27.7
111.04510	4.2
112.70837	1.2
115.00391	5.1
121.02991	5.2
123.04490	3.6
125.02447	2.1
127.04006	1.9
133.02979	3.5
134.02113	1.0
134.03796	6.2
135.04535	83.1
136.04832	3.8
137.02448	6.2
147.04485	1.8
148.05324	2.7
149.06076	8.4
155.03493	5.0
159.04533	1.4
161.02408	3.5
161.06078	9.2
162.06850	1.4
163.07654	1.9
167.35190	1.2
173.04555	100.0
174.04832	4.3
177.05591	1.6
179.03505	72.6
180.03860	2.5
182.44804	1.1
191.05624	46.8
192.05914	1.4
193.05045	2.4
213.05580	1.2
226.06380	2.1
241.05048	3.8
242.05853	28.7
243.06595	25.4
269.08243	5.4
271.09760	45.6
272.10089	4.0
282.22632	1.4
315.08612	1.4
353.08771	83.9
354.09125	6.8
359.07706	78.1
360.07996	6.2
481.77545	1.1
492.31528	1.2
521.11163	1.3
568.76154	1.4
585.06018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01388	4.2
69.03460	2.2
71.01384	3.6
71.05038	1.5
71.50999	1.5
71.51360	1.5
73.02933	3.0
74.11794	1.4
81.03450	12.2
83.01387	14.8
84.60301	1.2
85.02956	2.7
93.03436	3.0
95.01409	3.7
95.05054	8.1
97.02946	10.4
99.04523	6.7
101.02444	2.1
101.43521	1.5
106.51971	1.2
107.05046	2.8
108.02169	1.5
109.02944	10.4
111.04517	4.2
113.02458	4.8
121.02980	5.8
123.04527	35.6
125.02451	37.9
133.02971	25.0
135.04520	8.1
137.02443	12.0
137.06084	2.8
139.04016	5.2
140.60266	1.3
147.04474	2.6
149.02454	5.0
151.03975	6.2
153.05624	3.6
161.02393	3.0
163.03996	4.0
165.01985	2.7
165.05560	6.1
167.03493	49.7
168.03830	2.5
173.04668	2.0
175.04024	3.3
177.01932	9.4
177.05528	2.5
179.03505	13.0
181.05106	2.4
191.03522	2.5
191.05559	2.0
192.00940	1.6
193.05092	1.7
197.04523	12.0
205.05161	3.1
206.02213	2.9
209.04546	100.0
210.04890	5.0
219.03000	2.0
220.03668	1.7
221.04578	5.9
223.58408	1.4
235.02446	4.4
239.05614	69.2
240.06007	2.6
243.02960	2.1
247.02393	2.4
251.05624	6.3
263.05679	2.3
269.06668	23.3
277.03519	19.0
281.06622	2.7
289.03986	1.8
293.06705	2.5
307.04596	11.5
311.07779	4.3
323.07745	2.6
329.08630	8.7
337.05511	1.8
353.08658	3.7
359.09946	2.3
371.09738	6.1
387.07199	69.5
388.07416	6.1
397.07599	2.8
399.07312	2.5
401.11023	1.7
407.07770	5.3
417.08258	33.9
418.08542	4.0
425.08902	1.7
429.08020	1.8
447.09177	6.8
459.09265	1.5
471.09653	1.9
489.10611	3.8
491.14246	4.0
507.11456	13.7
519.11316	2.4
521.11334	4.2
531.11188	1.5
549.12323	5.5
559.13208	2.1
627.94659	1.6
669.16852	2.6
713.16302	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	713.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01368	5.0
61.98831	30.9
63.02405	3.1
70.53433	3.9
71.01379	2.2
73.02939	1.7
80.07974	1.0
80.96548	1.0
85.02955	1.1
93.03468	2.1
101.02395	1.6
107.01389	3.1
109.02944	1.7
113.02495	1.3
117.03464	19.2
117.04261	1.4
119.04977	2.0
119.79076	1.2
121.02859	1.3
125.02431	2.9
135.04552	2.1
137.02444	2.2
145.03014	1.1
147.04462	1.6
149.02460	5.5
151.00327	1.2
151.03961	1.8
159.04498	3.1
161.02457	26.8
161.04478	1.6
163.00420	5.3
163.03983	3.8
173.02367	1.3
175.03975	6.7
177.01877	4.9
181.06564	1.3
183.04494	1.3
185.02394	1.4
190.02708	1.5
191.03502	2.2
195.10310	1.3
196.51825	1.0
197.06035	2.7
198.54520	1.1
203.03508	1.9
205.01405	3.7
209.11789	3.1
215.03426	1.3
223.07703	1.9
225.05589	2.3
227.03470	1.4
268.03775	2.4
269.04544	82.0
270.04889	5.4
281.04562	37.2
282.05084	2.9
283.06165	20.3
284.06393	1.8
289.07172	2.7
293.04471	2.9
294.05374	1.7
295.06104	14.0
296.06396	1.2
311.05600	35.9
312.05972	2.8
320.70108	1.2
323.05579	47.3
323.09406	2.3
324.05963	3.9
341.06726	4.5
353.06787	1.8
431.09692	12.2
434.20233	1.3
443.09827	33.9
444.10281	2.7
539.84448	1.4
593.10956	12.4
713.15063	100.0
714.15637	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	711.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76982	1.6
57.03446	3.0
59.01374	13.7
61.98838	9.6
63.83025	1.5
69.03460	2.3
70.97868	4.4
71.01376	15.8
72.99314	4.9
75.00876	16.9
80.96523	5.1
81.61833	1.6
82.96093	3.6
85.02947	19.3
87.00868	6.9
89.02448	3.2
91.65134	1.6
95.01385	4.9
99.00870	9.8
103.81682	1.7
113.02449	21.9
167.10915	2.2
175.02486	4.8
179.14418	2.1
195.13910	4.5
205.12360	2.8
220.25932	1.8
223.13431	14.8
249.06128	3.4
255.23285	66.5
256.23602	3.9
391.10446	1.8
454.12241	1.9
487.28940	3.0
505.30087	7.8
688.95428	1.8
711.43243	100.0
712.43414	22.2
736.10925	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	711.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11159	2.7
59.01373	15.9
61.98829	100.0
64.49461	2.6
68.45284	2.6
71.01370	4.4
71.51842	5.2
101.02445	3.2
109.02965	3.6
120.78362	3.0
123.04490	2.9
125.02438	5.4
125.09698	3.0
137.02438	11.5
149.00049	2.5
151.04008	3.4
157.08727	3.0
161.02402	4.5
178.35237	2.7
197.11798	7.8
209.11819	9.9
211.13303	7.1
217.84518	3.1
223.13319	3.1
227.12895	3.8
247.60814	2.8
269.32837	2.8
289.07101	17.7
318.49249	3.5
419.07712	5.0
541.18317	5.5
617.31775	4.2
651.41010	2.9
711.33551	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	711.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01375	3.8
60.99304	0.8
61.90892	0.5
61.98831	6.4
67.01891	4.3
69.03453	1.0
69.75441	3.1
71.01382	5.6
73.02937	0.7
81.03474	1.1
83.05030	1.2
85.02936	1.9
87.00899	0.8
89.02449	1.1
93.03465	28.3
96.95980	0.8
99.00896	0.8
101.02470	1.4
108.02166	0.9
109.02946	4.0
111.00900	1.2
111.04532	4.2
113.02484	1.2
119.05016	0.8
121.02959	1.3
123.04539	0.7
125.02472	1.3
134.03711	2.0
135.04529	14.7
137.02464	9.2
145.02979	1.2
151.03995	0.7
155.03496	4.8
159.04466	1.3
160.01674	1.9
161.02411	0.8
161.06058	1.5
163.03996	0.9
173.04550	100.0
174.04892	2.1
175.04007	1.6
177.01923	0.8
179.03511	0.7
191.05568	3.0
206.08369	0.5
218.71733	0.5
234.35658	0.6
267.06650	1.0
289.07224	0.7
297.11414	1.3
305.08032	0.7
309.11514	0.6
310.12109	0.7
427.11673	1.4
442.14041	3.5
445.16656	7.2
446.16934	0.9
453.19104	0.7
457.16592	17.6
458.17078	2.1
463.17700	2.3
475.17847	4.6
475.93716	0.6
501.15591	0.8
519.16919	1.3
693.21893	1.4
711.22302	1.2
711.33130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68920	0.7
53.14442	0.6
55.82016	0.7
56.30460	0.7
57.03460	1.3
59.01381	9.9
61.98816	3.4
69.03452	0.8
70.25185	0.7
71.01380	6.2
73.02937	1.6
78.95905	8.0
81.03456	0.7
82.96908	0.7
83.01383	1.1
83.05017	1.3
84.81306	0.7
85.02946	1.8
89.02454	3.9
95.05016	0.7
97.06584	3.4
101.02464	3.7
113.02456	2.9
113.74849	0.8
125.09684	1.8
127.11259	1.0
151.11290	14.7
152.99590	12.5
155.10777	1.3
161.04535	1.6
169.12341	98.2
170.12639	4.4
170.26912	0.7
171.10265	2.1
178.73198	0.8
179.05493	1.1
185.11812	2.9
195.10223	2.9
201.11308	11.3
209.11823	10.3
213.11320	14.6
214.11620	0.8
227.03172	1.4
227.13017	1.6
235.08232	2.0
253.09241	2.7
253.21707	2.3
255.23322	4.3
275.19827	0.7
277.21701	33.5
278.21960	2.3
285.23062	0.8
295.83383	0.8
303.23279	2.7
381.12961	1.1
431.19202	3.4
449.20322	9.2
453.14963	0.9
455.16846	2.7
473.17932	9.4
691.38202	2.2
709.41370	100.0
710.41693	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	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
57.03446	2.5
59.01384	6.0
61.98812	2.9
69.03454	0.9
69.08345	0.9
71.01379	5.8
73.02937	1.3
78.95906	14.9
82.49174	0.9
83.05022	2.8
85.02914	1.9
87.00861	1.5
89.02440	2.5
95.05037	2.1
95.88203	0.8
96.96978	1.1
97.06586	6.1
101.02466	4.6
103.64848	0.8
113.02431	2.4
113.31956	0.8
125.09724	2.8
127.11277	1.9
145.04994	0.9
151.11281	16.8
152.99593	18.5
155.10725	1.3
161.04576	1.5
163.11194	1.2
169.12338	45.5
170.12685	1.8
171.00665	2.2
171.10228	2.2
185.11823	3.3
195.10217	3.8
201.11319	19.7
201.13210	1.3
209.11838	23.8
210.11998	0.8
213.11337	10.7
227.03307	1.3
227.12865	2.9
235.08130	2.2
253.09271	3.5
253.21722	3.8
255.23271	3.3
277.21725	61.1
278.22076	5.1
279.23267	1.0
303.23230	3.1
381.13135	1.6
431.19232	2.3
437.16190	1.1
449.20343	2.9
455.16672	5.1
473.17923	16.4
474.18384	1.2
581.00262	0.8
633.86255	0.9
662.93463	1.0
691.38336	2.4
709.41211	100.0
710.41638	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.5
59.01389	9.1
61.98816	7.8
68.99812	14.3
69.21899	15.0
71.01380	9.3
78.95883	3.2
83.01403	2.6
89.02442	3.5
97.06577	12.6
101.02439	7.6
113.02422	5.2
119.40894	1.7
123.08147	6.5
125.09727	60.3
151.11293	4.5
152.99660	2.4
161.04526	2.7
161.95657	1.7
171.10231	7.6
171.67728	2.0
185.11826	84.2
186.12088	1.9
187.09729	7.9
195.10265	16.6
211.13455	3.3
212.13594	1.9
213.11325	35.6
232.03116	1.8
235.08136	5.4
241.29707	2.1
243.12558	2.4
253.09253	6.5
255.23291	4.9
266.87082	2.4
277.21722	100.0
278.22092	9.0
318.68478	2.0
405.17599	6.6
430.47446	1.9
431.19199	7.5
432.19870	1.9
449.20251	14.1
665.39014	2.2
691.37720	2.8
709.41614	91.0
710.42023	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46727	0.6
57.03443	0.7
59.01155	0.6
59.01384	6.6
61.98809	1.9
65.00317	1.5
67.34869	0.6
68.99810	1.3
69.03444	0.6
71.01385	7.1
71.51107	1.0
71.51514	0.6
73.02945	1.8
78.95896	1.2
83.01385	1.6
83.05023	1.5
85.02956	1.5
87.00873	2.0
89.02445	2.2
97.06535	0.7
99.52018	0.6
101.02438	4.7
107.01373	2.6
113.02481	1.4
125.02475	0.8
125.09729	3.0
135.04523	6.9
139.11293	1.0
141.12845	0.8
145.05106	1.0
149.09700	0.7
150.22246	0.8
151.00363	13.0
151.11313	3.1
152.00693	0.6
152.99608	0.6
155.10771	1.1
161.04527	1.3
167.10707	2.5
167.90810	0.7
171.10233	2.8
185.11826	35.1
186.12137	1.4
195.10258	28.4
196.10596	1.9
209.11827	5.3
213.11319	16.2
227.12859	1.1
235.08145	1.0
240.41335	0.6
253.09358	3.6
255.23227	2.5
259.15146	0.6
263.20169	5.4
277.21713	50.0
278.22061	4.9
287.05582	14.7
287.15051	1.1
288.06100	0.9
300.49533	0.8
303.23257	2.3
311.48792	0.7
431.19232	1.8
449.20212	7.6
709.41632	100.0
710.41968	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50674	0.6
58.00605	0.7
59.01379	8.4
61.98821	1.5
63.67232	0.7
69.44688	0.7
70.81407	0.6
71.01382	8.5
71.51780	0.8
73.02956	0.9
81.03443	0.7
83.01357	0.8
83.05018	2.8
85.02913	2.0
87.00848	0.7
89.02457	4.1
91.42003	0.7
101.02433	5.2
113.02426	2.2
119.03487	1.3
125.09735	1.4
141.12823	1.7
151.11272	3.1
161.04561	1.1
163.11235	0.8
167.10788	3.4
169.12222	0.7
171.10254	3.2
177.09158	1.2
179.05478	0.8
185.11819	73.6
186.12245	3.6
195.10258	32.3
195.11789	0.5
196.10564	0.8
209.11821	15.9
213.11307	33.5
214.11482	1.0
227.12874	2.3
235.08269	1.5
253.09294	5.5
254.02003	0.8
255.23334	2.5
263.20172	12.7
264.20468	0.9
269.13736	0.8
277.21707	34.3
278.22061	3.8
279.23270	0.7
287.14929	1.2
303.23248	4.0
431.19254	1.6
449.20203	12.1
450.20691	0.9
637.84607	0.7
709.41632	100.0
710.41974	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	709.357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	67.6
60.96114	9.3
61.98836	100.0
70.63081	24.5
75.07124	9.3
79.67355	9.9
80.23387	9.9
83.13436	10.8
92.15851	9.4
95.71987	9.0
121.67416	9.3
150.46417	9.5
179.91411	8.7
197.11810	16.5
211.13467	71.7
242.34656	10.1
709.35815	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36712	0.6
57.03445	0.7
58.17161	0.7
59.01377	7.6
61.98841	4.3
69.03458	1.4
70.64362	1.5
71.01388	3.2
74.30327	0.6
85.02966	1.1
89.02453	2.9
101.02458	3.1
113.02463	1.4
120.10740	0.6
132.17310	0.7
141.09232	0.7
153.12932	1.3
161.04573	1.9
169.12347	6.7
195.10347	1.1
195.13956	5.3
196.10609	1.0
196.14326	0.7
197.11836	100.0
198.12248	4.8
199.13457	0.7
209.11839	2.8
223.13367	3.5
235.08234	2.7
253.09305	15.8
255.23265	1.4
256.13467	0.9
263.20230	2.1
275.20172	5.6
276.20532	0.7
279.23364	0.7
293.21231	71.4
294.21603	6.2
303.23291	3.1
433.20950	4.1
473.32367	1.0
641.11279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03458	2.5
58.00588	3.4
59.01379	100.0
60.01707	1.8
60.62885	0.5
64.71957	0.5
69.03449	2.3
71.01380	73.2
71.52808	0.8
72.01703	1.1
72.99310	5.3
73.02946	15.2
81.03486	0.7
82.29072	0.5
83.01389	6.6
85.02950	17.0
85.03464	0.9
86.00096	1.0
87.00874	13.2
89.02443	92.6
90.02751	1.6
93.03445	2.9
95.01376	1.2
96.96010	2.4
97.02942	2.1
98.95600	0.9
99.00887	2.4
101.02440	43.5
102.02760	1.2
109.02953	0.8
111.00864	1.5
113.02443	17.8
114.02722	0.6
119.03507	5.3
124.01732	0.5
125.02451	6.7
129.01875	0.6
131.03502	46.2
132.03847	0.6
135.04478	1.0
137.02432	0.6
143.03502	2.4
148.52437	0.6
149.04550	58.5
150.04852	1.2
155.03455	0.8
159.92560	0.5
161.04468	1.9
173.04544	10.1
179.05557	1.2
191.05608	26.6
192.05852	0.9
193.06041	0.5
203.05582	0.8
205.07164	0.6
213.09206	4.0
215.05534	1.1
221.06552	1.0
229.12222	2.3
233.06689	4.1
239.07133	0.9
263.19098	0.5
273.11261	1.2
281.08453	0.5
293.04504	2.5
293.08698	0.8
299.09012	1.2
311.05426	0.5
311.09744	1.3
315.53677	0.5
317.10101	1.8
355.21164	0.8
480.42340	0.6
491.15057	0.8
517.12836	1.6
517.25916	2.7
529.26074	0.6
535.14459	3.8
535.27112	2.2
577.15698	2.6
593.14435	0.7
649.30762	49.2
650.22198	0.6
650.30963	6.3
667.31793	44.7
668.32062	5.2
709.21173	0.8
709.32776	7.6
710.32312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55343	3.3
52.94178	3.5
57.60754	4.7
59.01373	16.0
61.98834	100.0
71.01389	8.0
72.99309	5.4
88.98782	4.6
89.02458	4.8
89.55289	3.8
98.20773	7.4
103.48280	4.1
104.53804	4.2
107.26257	4.4
109.20573	3.6
113.60836	4.4
125.09683	4.8
157.08673	6.4
161.02332	4.2
195.10252	6.4
207.10304	5.3
209.11871	13.6
211.13315	6.1
229.07239	3.9
304.64398	3.4
401.55603	4.2
485.71796	3.8
625.82758	4.1
637.31989	12.2
647.32642	8.3
659.31140	5.8
709.32379	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	709.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50853	2.0
59.01384	31.9
61.12158	1.7
67.01882	2.7
71.01388	8.9
71.52087	2.5
72.99306	5.8
73.02971	2.3
76.69472	1.8
79.63464	2.0
85.02958	16.7
87.00873	14.6
89.02444	2.8
93.03448	19.5
96.96004	6.1
101.02446	2.4
103.00359	2.5
109.02940	9.0
111.04503	5.4
112.98775	2.5
115.00339	2.7
125.02444	2.6
127.03999	3.9
127.07645	2.2
133.02895	2.2
135.04520	7.5
137.02426	5.6
149.00932	15.4
149.06062	3.5
150.01242	2.4
155.03531	6.2
161.02312	2.6
173.04549	46.9
175.00429	2.7
175.07700	2.4
179.03494	2.9
185.06035	4.9
187.07658	2.7
191.05605	100.0
192.06001	3.7
198.06819	4.4
199.07594	2.2
211.07596	4.4
213.07159	2.9
213.09195	53.2
214.09534	3.3
227.10698	2.6
229.12297	27.0
237.09317	3.6
239.07092	14.1
255.10370	9.0
257.08243	4.4
259.08228	4.8
261.04126	2.1
273.11307	15.5
283.06119	3.1
293.04507	35.4
294.04910	4.7
299.09183	12.9
311.05505	5.1
317.10248	25.6
323.05521	2.7
327.05130	3.8
341.06616	3.8
343.08139	2.5
361.09180	8.4
413.08844	10.4
413.13846	2.5
447.09271	4.3
448.09677	2.3
491.15543	8.5
517.13593	14.3
535.14630	31.9
536.14398	3.6
577.15631	68.0
578.15674	9.1
709.19702	66.5
710.20209	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	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22557	0.6
53.77419	0.7
59.01379	3.4
61.98827	1.4
63.05013	0.7
69.47000	4.2
71.01369	3.1
75.89531	0.7
77.98321	0.6
78.95898	2.6
85.02956	1.0
87.00895	1.2
89.02457	1.3
98.19899	1.5
99.68178	0.8
101.02446	1.8
112.16689	0.7
113.02447	1.3
119.03418	0.9
144.54005	0.8
152.99585	3.8
161.04568	1.3
176.66652	0.8
183.13892	6.7
193.12338	2.1
211.13387	100.0
212.13687	5.9
235.08226	3.0
253.09296	8.3
277.21722	79.6
278.22064	7.8
336.99548	0.9
341.13818	1.0
401.71460	0.8
447.22250	2.8
453.14987	0.8
630.70209	0.8
689.36530	1.3
707.37891	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47097	0.1
59.01380	2.3
61.98834	0.4
69.03456	0.3
70.98150	0.3
71.01367	2.3
71.01720	0.2
73.02934	0.4
78.95927	0.8
83.01373	0.2
83.05035	0.4
85.02962	0.6
87.00889	0.5
89.02444	1.6
98.01519	0.2
98.51221	0.2
99.00931	0.2
101.02448	2.1
113.02465	1.2
119.03516	0.4
132.72388	0.2
145.04968	0.2
152.99564	0.6
155.10757	0.3
161.04605	0.9
165.12802	0.3
167.10797	0.3
167.14409	0.5
179.05571	0.3
181.12360	0.2
183.13895	6.7
184.14287	0.4
193.12363	1.9
194.12627	0.2
199.74976	0.2
208.48621	0.2
211.13387	100.0
212.13736	5.4
225.11374	0.3
233.22798	0.2
235.08319	1.4
253.09277	6.7
254.09547	0.2
277.21710	48.9
278.22058	4.3
429.21313	0.6
447.22314	4.1
447.28055	0.3
448.22809	0.4
453.15384	0.2
689.36725	0.3
707.37732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36209	18.5
58.02925	17.7
59.01381	28.9
61.98821	100.0
62.88070	19.5
67.44219	15.6
70.40054	15.0
71.01392	16.7
77.78791	19.9
78.95915	20.6
78.99068	14.8
98.20631	53.9
104.05914	16.3
116.92883	40.1
157.10565	16.0
173.04422	15.9
191.05592	21.6
197.11835	34.0
229.05014	19.6
277.43713	17.2
283.95886	19.9
289.07477	24.3
310.28839	18.3
375.15610	20.3
564.57330	19.5
707.35309	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	12.8
56.41060	2.1
56.44547	1.8
57.03453	65.4
58.95644	1.8
59.01385	100.0
61.98845	3.5
64.16048	2.1
69.03470	2.5
69.20509	13.4
69.20923	5.1
71.01382	31.0
72.99298	3.1
73.02943	9.0
74.24962	1.7
75.00878	35.3
81.03444	3.0
83.01395	7.5
84.82242	1.9
85.02943	17.5
87.00864	4.7
89.02447	14.1
93.03463	6.8
99.00867	3.7
99.04528	73.6
101.02448	38.0
103.04019	2.4
109.03009	3.0
113.02465	12.5
119.03496	2.3
119.05019	2.2
124.01656	2.2
125.01525	3.8
125.02448	54.1
129.01955	13.1
135.04533	6.6
137.02409	3.4
143.03496	8.6
147.02995	6.2
149.04559	5.2
150.50021	1.8
161.02432	5.3
161.04611	13.7
165.04060	52.9
173.04535	13.9
178.62193	2.4
179.03519	5.9
191.05618	15.0
196.83153	1.9
207.05040	2.5
231.05081	2.6
234.69803	2.3
249.06097	2.2
251.09212	3.3
269.10321	10.7
278.13577	2.2
335.07758	3.0
341.06680	3.5
353.08505	2.4
371.13452	7.0
397.15012	12.3
415.16113	44.4
416.16525	4.8
449.20062	2.3
457.17233	16.7
515.11774	6.1
515.20795	2.5
533.13135	2.8
559.20154	28.5
560.20477	4.3
707.24072	68.5
707.62897	2.3
708.24548	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	707.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11390	0.3
56.41122	0.3
57.03434	0.4
59.01377	1.9
60.98761	0.3
67.01889	1.8
69.03463	0.6
69.28529	2.5
69.28926	0.4
71.01379	5.1
73.02941	0.7
81.03463	0.7
83.05022	0.7
85.02948	10.1
87.00872	2.1
93.03456	13.8
96.95999	2.1
99.04497	0.5
108.02171	6.1
109.02953	13.1
111.00882	0.7
111.04519	3.6
115.00375	7.4
117.08608	0.3
121.02966	3.1
122.03748	0.4
123.04519	1.3
127.04012	2.6
129.01924	0.5
133.02954	1.2
134.03741	0.8
135.04521	19.5
136.04831	0.6
137.02441	2.5
143.85442	0.4
147.04497	0.8
148.05309	1.2
149.06090	4.3
149.10669	0.4
150.41298	0.3
155.03488	2.8
159.04460	0.4
161.02394	0.8
161.06078	5.8
162.06755	0.6
163.07657	0.9
171.02957	0.6
173.04541	31.8
174.04909	1.1
175.04051	0.4
177.05608	0.4
179.03491	12.4
180.03754	0.5
187.04068	0.7
191.05600	100.0
192.05946	3.0
213.05547	1.0
225.05534	0.4
226.06387	0.9
241.05066	2.0
242.05826	18.7
243.06577	14.5
244.06938	0.9
253.08653	0.7
255.06573	0.8
269.08212	1.5
271.09738	22.5
272.07565	0.4
272.10004	2.3
282.05292	0.4
289.05566	1.5
297.07660	2.4
299.05365	0.3
315.08743	1.6
321.38489	0.4
341.06647	2.0
353.08722	11.0
354.09091	1.0
359.07690	24.9
360.07986	1.7
390.52054	0.4
463.11078	1.7
467.41098	0.4
489.13980	1.8
501.12146	0.4
515.11877	0.9
533.12970	20.2
534.13635	2.4
707.18176	19.0
708.18463	3.2
716.89386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50359	1.1
56.12474	1.0
59.01386	3.1
67.01895	4.1
70.81572	2.9
71.01397	5.7
83.05064	2.0
85.02969	10.6
85.37146	1.2
85.77530	1.2
87.00853	1.8
88.07520	1.0
93.03464	27.7
105.90092	1.0
108.02187	5.0
109.02959	15.6
111.00845	1.2
111.04537	8.4
115.00391	5.6
121.02995	1.7
123.04513	2.5
127.04028	3.4
134.03777	3.0
135.04536	48.9
136.04814	2.3
137.02480	4.9
140.35962	1.1
142.00620	1.1
148.05280	1.4
149.06082	3.7
155.03532	4.1
161.02477	2.4
161.04977	1.2
161.06068	7.4
161.32742	1.2
163.07681	1.4
173.04553	84.4
174.04877	3.5
179.03505	43.8
180.03835	2.7
191.05621	100.0
192.06001	4.1
216.52232	1.1
241.05093	3.2
242.05840	16.9
243.06609	12.0
271.09784	23.1
272.10153	2.1
297.07788	2.1
315.08667	1.6
341.06454	1.5
347.63251	1.4
353.08780	48.2
354.09055	4.6
359.07727	20.8
463.11252	2.4
489.14056	2.4
533.12952	16.4
534.13446	1.5
619.32300	1.4
707.18243	16.3
708.18475	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	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01373	5.4
60.99135	0.5
61.98833	23.6
68.01463	0.5
70.95084	0.9
70.95434	0.8
71.01383	4.9
72.99319	0.7
73.02932	0.7
80.02672	1.1
83.01384	0.7
83.05027	4.5
85.02941	1.4
87.00883	1.1
89.02454	3.4
95.05025	0.5
97.06578	0.7
99.00883	0.7
101.02465	3.8
109.02936	0.9
109.06612	0.8
113.02458	1.8
125.02487	0.7
125.09721	1.4
127.11321	1.3
139.11278	0.6
141.01961	0.8
145.05098	0.6
147.31580	0.5
155.10776	1.1
157.12396	0.6
159.10272	2.2
161.02461	0.5
161.04512	1.5
163.11319	4.1
165.09134	0.9
165.12894	2.8
171.10310	1.4
181.12331	0.9
183.10286	4.1
183.13895	0.8
185.11909	0.9
191.10887	0.8
197.11829	4.9
199.13411	2.3
201.11317	2.7
202.11574	0.6
205.18007	0.6
207.10313	0.8
209.11835	100.0
210.12155	5.5
211.13359	1.3
225.11336	1.7
227.10732	1.1
227.12903	18.2
235.08299	4.3
241.14479	5.6
253.09280	11.8
254.09402	0.8
259.15497	69.7
260.15808	5.1
289.07227	0.7
303.04764	0.6
327.21796	1.5
445.20697	1.4
451.27042	1.9
463.21954	1.1
495.24506	1.4
687.32367	9.2
688.32947	1.4
705.33569	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	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92506	0.7
54.85951	0.8
57.03429	1.0
59.01386	7.7
59.36029	0.7
61.98832	40.8
67.17181	0.7
70.32377	0.7
71.01385	7.1
73.02968	2.0
80.02653	1.4
81.03456	1.8
83.05021	5.6
83.11868	0.8
84.02168	2.0
85.02931	1.3
87.00874	2.4
89.02447	4.7
95.05004	1.7
96.96045	1.0
97.06598	2.3
99.00864	2.0
101.02449	5.8
104.35809	0.9
111.08114	1.2
113.02481	3.9
125.09750	1.3
145.05116	1.1
161.04509	2.9
161.22017	0.8
163.11310	4.7
165.12872	11.6
171.10342	1.0
181.12373	2.3
183.13898	99.0
184.14178	4.9
185.11769	1.0
191.10857	1.2
197.11807	2.7
199.13271	1.0
207.10402	1.1
209.11819	87.5
210.12186	4.3
211.13403	2.7
225.11290	2.3
227.12865	14.6
235.08154	3.2
241.14386	1.1
253.09326	7.2
259.15494	7.0
273.17059	0.9
306.07510	0.9
394.75079	0.8
445.20758	2.3
463.21725	4.8
523.65991	0.9
655.33472	1.6
673.34332	100.0
674.34814	16.2
705.36902	17.7
706.37469	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	705.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03434	3.3
59.01385	12.4
61.98826	15.1
67.01868	1.2
69.03459	7.0
71.00769	2.5
71.01379	9.0
71.05013	3.8
73.02927	2.1
79.51577	1.0
81.03425	2.1
83.01423	1.5
83.05026	6.6
85.02936	2.8
87.00874	3.3
89.02452	6.1
95.05010	1.3
97.02936	2.4
97.06580	1.6
101.02453	8.0
113.02443	3.5
118.57719	1.2
119.03493	1.3
123.08198	2.5
125.09708	7.7
127.11286	6.4
137.09735	1.6
145.02849	1.3
149.09700	2.0
151.11253	4.7
153.12849	1.4
161.04523	2.8
161.09747	6.2
163.11281	4.1
165.09206	1.9
165.12846	2.5
171.10266	2.7
179.10803	13.0
191.10649	1.2
197.11844	100.0
198.12192	6.4
199.09712	2.2
201.11339	53.2
202.11719	1.7
209.11835	64.9
210.12155	3.3
215.12801	2.5
223.09750	2.2
225.11246	2.1
227.12915	6.3
235.08195	1.3
241.10789	4.9
252.80315	1.2
253.09364	7.1
259.15500	10.0
289.07278	1.9
477.19604	4.2
661.30762	26.2
662.31079	4.7
667.38385	5.4
668.39569	1.9
669.40228	2.1
687.32294	91.1
688.32770	13.5
705.33356	64.2
706.33838	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	704.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.4
59.01375	1.1
59.22835	0.9
61.98832	13.2
63.38204	0.8
66.54056	0.9
67.42261	0.9
69.30436	1.0
71.01371	1.4
71.51305	1.7
74.02473	7.8
82.85063	1.0
86.02483	3.5
87.05616	1.9
89.09657	0.9
97.04083	1.1
99.05655	7.3
101.07225	1.4
102.05579	1.0
112.04037	1.4
113.03544	1.0
116.92859	4.5
123.05664	1.2
128.03545	21.9
135.05652	2.0
137.07266	1.1
141.06699	1.9
143.04622	33.2
145.06149	1.2
146.04556	2.6
153.06660	1.7
160.00742	7.8
167.04596	2.8
167.08243	1.3
177.03413	2.4
179.04582	7.3
183.13831	1.3
197.05756	1.1
210.08839	6.9
211.13390	12.4
212.13766	6.1
241.14320	1.1
242.07851	1.2
253.09219	1.1
254.07779	7.5
272.08865	11.7
273.17114	9.4
274.17355	6.7
288.06448	4.8
306.07651	100.0
307.07864	3.9
430.77759	1.1
704.38928	2.0
705.39166	1.6
708.05316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92036	28.0
61.98831	58.6
70.80969	35.2
71.95135	35.9
78.95896	62.1
94.49093	30.1
126.85472	34.7
156.46378	31.3
209.11807	54.2
209.97250	27.8
210.11966	30.4
241.14424	50.8
241.24536	31.2
255.23134	100.0
256.23581	40.1
264.93515	37.5
275.68991	35.8
378.07468	35.3
445.10709	39.3
703.02258	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	704.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84448	0.3
58.02982	0.5
59.01386	0.4
61.98831	100.0
70.11340	0.4
74.02479	1.2
86.02496	0.3
89.39463	0.3
91.40454	0.3
99.05653	0.8
101.07198	0.4
128.03551	2.6
135.05643	0.6
143.04633	4.5
146.04626	0.6
151.41673	0.3
153.06610	0.4
158.48340	0.3
160.00780	1.4
168.10124	0.3
179.04637	0.4
183.13837	0.4
197.11824	0.5
210.08844	0.8
211.13382	1.1
212.13734	0.4
254.07811	0.8
259.15475	0.4
272.09000	1.6
273.17093	0.6
288.06647	0.8
289.51016	0.3
289.54312	0.4
297.05728	0.4
306.07645	12.6
307.07895	0.4
317.47296	0.4
413.53412	0.4
483.91626	0.4
567.07312	0.4
672.32977	0.5
704.39819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65264	16.4
56.69682	16.3
61.98822	54.6
69.38076	100.0
69.38480	38.3
70.96749	16.7
78.95904	31.3
94.17510	18.1
98.19895	32.6
132.35931	15.6
152.99611	16.3
159.60551	16.5
171.10216	53.1
209.11810	41.7
241.14441	46.6
255.23338	88.1
256.23624	43.3
277.21643	39.4
309.38815	18.6
324.27588	18.7
510.20032	19.1
607.14099	25.1
646.38513	19.2
711.06897	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	703.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98829	27.4
69.03465	6.1
70.45198	1.8
70.45592	1.7
71.01379	5.8
71.05022	2.6
73.02950	1.4
83.01392	0.8
83.05025	0.9
85.02945	1.7
87.00849	0.8
89.02440	4.8
93.96060	0.8
101.02435	5.2
113.02431	2.9
119.03518	1.1
125.09698	3.8
137.09700	1.4
138.19904	0.8
151.11295	3.5
153.12830	1.2
161.04526	1.2
161.09680	4.2
167.14542	1.3
169.12242	1.0
171.10278	0.9
179.10764	7.2
183.13887	9.1
193.12250	2.9
195.10240	0.9
197.11824	84.1
198.12128	4.5
204.92725	0.8
209.11766	3.2
211.13390	80.9
212.13739	3.6
223.09746	2.4
225.11211	1.1
235.08206	1.5
241.10786	3.5
253.09271	6.0
273.17065	3.8
392.08908	1.0
447.22559	1.2
459.18750	1.2
477.19376	2.1
671.32776	100.0
672.33130	15.7
703.35474	38.0
704.35840	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	703.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01373	24.7
61.98829	56.3
69.03432	2.7
69.26499	19.3
71.01380	17.8
71.05003	2.4
72.99304	3.0
73.02926	4.0
83.01395	3.1
83.04980	2.3
85.02940	5.4
87.00862	6.2
88.98834	2.9
89.02438	9.4
96.95941	2.6
97.02934	5.2
97.06564	4.0
99.00301	3.0
99.00857	15.8
101.02422	10.8
109.02913	3.1
109.06615	2.5
113.02394	4.9
117.07112	3.1
123.08155	3.7
125.02384	4.5
125.09713	10.1
127.03979	4.5
137.02451	2.2
139.03986	4.3
149.09698	2.2
151.11284	2.8
161.04456	2.5
161.09689	3.7
163.03877	3.1
163.11215	8.6
171.10243	12.3
175.03932	3.3
179.10728	7.0
180.66942	2.1
181.12332	12.0
185.11790	2.5
197.11819	67.8
198.12094	4.0
199.13303	6.5
207.10262	20.5
209.11792	7.8
225.11333	31.9
227.12866	2.6
241.10840	3.6
243.12399	10.1
253.09346	5.6
259.15427	4.1
289.07190	2.4
461.20474	2.8
477.20151	2.2
479.20694	2.9
495.24649	2.0
631.29675	9.0
659.31793	4.1
667.38806	8.8
685.30884	29.8
703.31580	100.0
704.31580	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	703.31
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70741	5.3
56.36236	5.5
56.65882	4.8
59.01376	10.6
60.46994	5.7
61.98832	100.0
69.74501	31.1
71.01364	6.1
78.26859	6.1
80.91646	6.5
83.51185	5.2
88.98801	11.4
98.19974	7.8
105.01897	5.3
125.09734	5.8
153.23187	7.0
155.63184	4.9
161.09093	5.7
183.13834	7.9
197.11809	6.5
207.10211	8.9
209.11884	13.3
211.13402	56.9
223.13408	29.9
224.13826	6.9
225.11403	15.8
253.09241	10.4
259.15598	13.3
260.15823	6.5
271.40344	5.5
273.17133	50.8
463.84680	5.8
671.32910	9.0
703.31085	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	703.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45676	1.5
54.04659	1.4
55.27939	1.5
57.03437	4.5
59.01382	12.2
61.57161	1.6
61.98539	2.4
61.98835	30.3
71.01393	8.5
71.07290	3.6
72.99303	2.4
73.02953	4.3
75.00853	2.7
81.03461	2.7
83.01392	6.4
83.79566	1.6
85.02947	4.8
87.00887	3.9
88.98818	8.5
89.02428	5.8
93.03474	3.9
95.01390	3.3
95.05025	3.8
96.95971	1.8
97.02937	5.5
100.31216	1.6
101.02438	4.8
105.03465	2.6
109.02966	34.3
112.17539	1.6
113.02453	3.7
117.03454	4.2
119.05006	2.2
121.02946	5.5
123.04528	25.0
123.35646	1.7
125.02455	24.0
133.02997	7.5
135.04498	5.9
137.02443	24.2
139.04015	4.3
145.02975	2.0
147.08142	1.9
149.02446	6.7
149.06053	1.7
150.03198	2.6
151.04041	12.0
156.50046	1.7
159.04520	4.4
161.02458	47.1
161.06055	4.7
162.03094	3.8
163.04045	3.0
164.01198	5.4
165.01929	6.7
167.03516	3.4
175.04013	5.5
175.07565	2.8
177.01947	5.5
179.03479	5.9
187.04001	3.7
188.04713	3.0
189.01903	6.0
190.02678	4.7
191.07111	7.3
193.05008	2.2
203.03424	2.3
203.07147	11.6
205.01437	3.2
205.05115	12.0
215.03445	3.8
217.01471	3.8
217.04999	3.1
221.08223	3.5
227.07161	2.2
231.02864	1.7
242.02332	1.9
243.02884	2.6
245.08182	20.9
248.03758	1.6
251.09262	10.8
269.00906	2.4
274.01254	2.3
281.04749	1.8
285.26501	1.7
289.07199	100.0
290.07645	9.4
301.10858	3.0
303.08868	2.6
323.05585	2.7
341.06577	9.8
357.55923	1.9
379.04443	2.7
393.06107	12.1
394.06122	2.1
395.11203	2.0
399.10931	6.6
413.12390	11.5
451.10092	15.0
503.09885	24.7
504.10214	2.1
533.14569	25.7
534.14972	2.6
551.15607	19.5
613.13428	24.0
614.13135	1.9
703.19568	13.1
703.38806	5.0
704.20538	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	702.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.25442	1.4
69.25874	1.5
74.23309	0.3
76.00372	0.3
138.94057	0.3
163.72232	0.3
179.22321	0.3
189.36172	0.4
254.74306	0.4
311.71216	0.3
352.05011	0.3
628.50836	0.4
660.59930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.448
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
50.98648	0.4
57.03446	0.4
59.01377	3.6
61.98833	1.0
66.84360	0.4
69.86039	1.1
69.86436	0.8
71.01379	4.1
73.02950	1.3
78.95890	0.6
85.02958	1.5
87.00881	1.3
89.02429	2.5
95.01357	0.7
97.06573	0.6
98.20012	0.5
98.25317	0.4
101.02446	3.6
106.89983	0.4
111.08161	1.0
113.02455	1.6
119.03511	0.9
137.09645	0.5
145.05090	0.7
161.04581	1.9
165.12833	7.6
183.13901	52.1
184.14250	1.7
209.11816	3.6
227.12885	2.3
233.58073	0.4
235.08234	3.1
253.09314	4.8
255.23293	100.0
256.23636	7.2
295.22861	1.5
296.34012	0.4
366.83917	0.4
445.20816	1.4
463.21854	1.3
612.36139	0.4
701.44800	80.3
702.45154	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	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99052	1.1
59.01387	8.1
61.98830	49.8
69.03460	2.2
69.16988	13.0
71.01375	5.9
73.02946	1.9
78.50819	1.2
80.98100	1.3
81.03411	1.6
83.05040	2.4
85.02979	1.7
87.00862	1.4
89.02446	3.1
95.05022	1.6
95.62196	1.5
96.96027	2.1
101.02444	5.7
108.31398	1.2
111.08168	2.4
113.02458	2.0
116.22742	1.2
119.03525	1.2
161.04555	1.5
163.08676	1.3
163.11227	1.3
167.10788	3.4
171.10268	2.8
179.10783	1.7
179.14400	3.0
183.10269	4.2
195.13884	10.5
205.12358	9.8
209.11835	52.9
210.12111	1.7
211.13322	2.4
223.13394	100.0
224.13750	5.3
227.12907	10.8
235.08260	6.5
253.09274	14.3
259.15494	45.4
260.15891	3.3
459.22156	13.9
460.22855	1.9
525.36768	1.5
701.37012	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	701.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88008	1.2
55.01856	1.7
55.76596	1.3
58.02971	4.4
59.01368	4.9
59.68554	1.3
61.90319	1.3
61.98830	23.4
71.01379	3.8
71.52708	1.9
73.04065	21.8
79.99675	1.3
82.03001	4.1
82.06633	3.5
83.02501	2.3
85.02949	1.9
87.00883	1.6
96.00941	6.6
97.04076	3.1
98.02464	6.3
99.00909	2.4
99.02010	2.3
101.02425	1.7
108.03288	3.9
109.01691	64.1
112.05177	1.8
113.03555	2.8
115.05122	22.6
127.05138	3.0
129.10324	9.7
130.06262	2.4
130.08752	13.2
138.09250	5.0
140.07201	4.4
140.10822	11.5
141.10324	1.6
145.02885	1.9
149.02484	2.6
151.08760	26.9
152.07179	4.5
153.45946	1.6
154.06264	3.5
157.13434	1.8
166.08714	12.1
167.12041	1.7
168.11423	16.7
169.09830	6.0
170.10297	1.3
171.04156	4.4
172.07254	4.3
181.09814	2.2
184.09842	4.0
186.12462	51.1
187.12692	1.6
196.10916	1.4
197.11812	3.0
197.16577	2.3
210.07712	12.9
210.12463	11.8
211.10896	3.2
212.10451	6.1
215.06674	2.2
224.17589	2.5
225.16075	9.5
227.10349	2.8
228.13496	13.5
238.19365	3.3
242.18665	4.2
256.20242	2.6
259.15591	1.6
264.17215	4.4
281.19830	23.3
285.15643	1.9
299.20856	41.8
300.17978	1.4
300.21210	3.4
321.19342	2.8
323.21030	2.1
341.22012	2.2
342.20526	2.3
356.23035	19.6
368.22955	2.3
372.21368	2.7
398.24036	100.0
399.24298	6.6
410.24045	3.8
428.25067	6.5
442.26663	28.4
454.26630	1.7
472.27716	12.0
473.28021	2.3
526.25256	5.5
570.27734	29.2
571.28198	3.3
609.32214	2.6
618.32251	1.7
639.33453	13.8
653.35107	12.2
657.34583	5.6
665.35175	3.4
671.36066	9.2
683.36267	51.7
684.36517	8.2
701.37408	84.9
702.37775	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	701.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01373	4.7
61.98832	6.1
62.14116	0.5
64.94931	0.5
69.03456	3.7
71.01381	5.0
71.05022	1.8
72.99299	0.6
73.02951	0.8
76.35263	0.5
78.95916	2.1
80.11087	0.4
80.43237	0.5
81.03503	0.6
83.01378	1.0
83.05012	1.0
85.02967	1.2
87.00844	1.3
89.02450	3.2
95.17303	0.5
97.02974	0.5
97.06581	0.7
99.00868	0.7
101.02443	4.2
113.02443	2.1
119.03448	0.9
123.08154	1.1
125.09761	2.3
132.47403	0.6
136.80318	0.5
137.09633	0.5
143.03461	0.6
143.59993	0.4
151.11261	2.1
153.12845	1.5
161.04581	1.3
161.09738	3.2
163.11198	0.6
171.10210	0.7
179.09311	0.9
179.10765	6.9
180.10921	0.5
193.68274	0.5
195.10243	1.1
197.11824	74.0
198.12164	3.6
209.11827	7.9
211.13394	1.3
215.12854	5.9
223.09729	1.6
223.13373	2.3
227.12926	1.0
235.08107	0.7
241.10931	4.8
241.14450	50.1
242.14760	2.9
253.09337	4.6
255.12401	2.5
273.17169	1.1
317.67084	0.6
354.90152	0.5
451.21777	0.5
459.18799	1.0
477.19812	2.6
662.64178	0.5
676.24072	0.5
683.32562	0.6
701.33899	100.0
702.34198	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	701.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02980	0.9
57.03434	0.9
59.01381	7.2
61.98831	14.7
65.15878	0.9
69.03448	3.8
71.01374	6.4
71.05018	3.6
71.52391	1.4
73.02934	2.4
81.03458	1.0
83.01380	1.6
85.02922	2.5
87.00857	1.7
89.02430	4.2
96.96005	1.2
97.02956	1.0
101.02434	5.6
113.02434	3.0
123.08112	1.4
125.09705	3.5
127.03999	1.5
134.02831	0.9
138.05637	1.0
139.03979	1.5
151.11273	2.8
153.12819	2.9
157.37483	1.0
161.04538	2.0
161.09700	3.0
171.10318	1.8
175.02530	1.3
175.03949	1.5
179.10767	6.3
190.02589	1.2
195.10249	1.5
197.11826	100.0
198.12119	4.4
209.11674	1.7
223.09737	2.3
235.08514	1.1
240.73566	1.2
241.10750	3.6
241.14359	1.4
253.09332	2.1
278.22330	1.0
283.89496	0.9
396.12918	1.0
477.19501	3.0
501.30441	1.2
503.32092	3.4
539.24664	3.4
545.47705	1.0
623.07593	1.1
655.28387	1.4
657.30719	5.2
683.28601	3.6
701.30139	92.6
702.30389	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	701.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03450	1.5
59.01382	7.1
61.98833	2.9
69.03461	5.1
69.73450	1.7
69.73858	1.1
71.01385	5.7
71.05029	2.9
73.02951	1.5
73.83614	0.6
81.03475	0.7
83.01374	0.7
83.05042	1.3
84.19021	0.5
85.02950	1.1
87.00900	1.1
89.02454	3.3
89.93250	0.4
95.05056	0.6
97.06599	1.0
98.19837	0.7
101.02430	5.2
113.02467	2.0
117.72932	0.4
123.08153	1.9
125.09695	3.2
126.09998	0.5
131.03488	0.6
137.09738	0.6
146.98946	0.5
151.11250	3.2
153.12848	2.6
161.04538	1.2
161.09746	4.0
179.10780	8.6
185.11743	0.7
197.11841	100.0
198.12181	5.6
207.10371	0.6
209.11830	1.0
223.09756	1.5
241.10846	5.5
253.09256	2.2
278.28860	0.6
321.36670	0.5
331.51703	0.5
347.29504	0.5
361.53397	0.5
459.18500	0.7
477.19647	3.3
539.25146	1.4
649.35101	0.5
657.30914	2.8
701.30225	99.0
702.30634	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	701.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
57.73844	0.6
59.01377	1.9
67.01865	1.0
69.26965	6.9
71.01392	2.0
72.99376	0.9
82.63358	0.8
83.57926	0.7
85.02955	1.5
87.00888	2.0
93.03460	10.7
96.96011	2.2
98.19898	1.5
107.70561	0.7
109.02964	1.4
111.04542	2.9
121.02974	1.3
122.03674	1.1
123.04546	8.1
134.03757	1.6
135.04535	100.0
136.04861	3.5
137.02437	2.6
149.00920	2.0
153.05571	11.1
155.03516	3.4
158.28499	0.7
167.03444	3.8
173.04555	53.4
174.04913	1.6
179.03484	1.8
191.01895	0.9
191.05598	5.6
197.04539	13.9
209.02946	2.3
297.09967	0.9
328.05643	1.0
341.08817	5.5
353.08591	2.1
359.09946	5.9
371.09848	46.7
372.10080	3.2
379.14114	0.9
537.64758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.0
60.92947	2.0
60.98848	2.3
61.98834	28.2
63.77478	2.0
67.52666	2.4
69.03442	5.2
70.07790	6.7
70.08196	3.4
70.21833	2.1
71.01379	12.0
72.99313	2.9
75.00873	4.1
75.88885	2.4
83.05013	4.5
85.02946	5.3
87.00872	5.7
88.98833	2.3
89.02425	6.3
95.63837	2.2
97.02953	2.5
101.02435	7.8
113.02421	4.0
114.82056	2.4
115.00376	6.9
125.09734	3.1
135.02980	2.6
135.88060	2.1
145.02934	2.4
149.09724	3.2
151.11302	6.6
161.09683	5.8
167.10826	5.3
171.10326	3.3
175.02451	7.0
179.10768	7.4
195.10249	35.7
197.11821	81.7
198.12228	4.2
209.11809	10.8
211.13358	3.5
223.09740	2.3
227.12917	3.2
241.10915	4.8
241.14449	2.6
253.08977	4.5
254.95885	2.1
273.17032	4.2
503.32193	16.5
581.26013	7.1
583.27600	15.6
584.28876	3.2
641.28180	2.8
655.29700	100.0
656.30078	13.1
673.30566	4.0
701.35754	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	700.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98829	100.0
62.98528	0.2
71.01404	0.1
71.51777	0.1
81.81596	0.1
84.60686	0.1
98.02534	0.1
158.45587	0.1
171.10298	0.1
176.90625	0.1
188.44731	0.1
195.10368	0.1
197.11833	0.4
207.10298	0.1
225.11354	0.3
235.08377	0.1
245.59190	0.1
276.27625	0.1
309.63614	0.1
313.37540	0.1
437.33798	0.1
594.36133	0.1
619.30890	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	700.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67611	0.5
50.73981	0.5
57.03413	0.5
59.01390	3.9
61.01789	0.6
61.98830	100.0
62.57639	0.5
71.01379	0.6
71.52364	0.8
71.52740	0.5
78.36710	0.5
97.38435	0.6
107.35133	0.5
122.06380	0.5
171.10284	2.0
197.11841	0.6
198.84010	0.5
209.11903	0.7
241.14436	0.6
700.35828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25613	0.3
59.01377	0.9
61.98832	100.0
63.72140	0.3
71.01374	0.5
78.95924	0.3
96.96053	0.4
98.20633	1.1
101.02460	0.5
111.08172	0.3
171.10301	0.7
190.76700	0.3
195.10384	0.4
197.11824	0.7
209.11899	0.6
211.13358	0.3
216.95096	0.4
223.13309	0.7
259.15533	0.6
315.11771	0.3
323.67838	0.4
325.42654	0.3
701.35126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55054	0.9
55.92094	1.0
57.03439	4.6
59.01373	3.5
61.98830	8.8
71.01389	3.7
71.50718	1.3
71.51171	1.2
73.02989	1.1
74.48631	0.9
80.70818	1.1
83.04977	1.3
85.02960	1.3
87.00866	1.8
89.02432	1.8
93.37832	0.9
95.05050	1.6
97.06593	13.8
101.02427	4.3
113.02431	2.0
123.08175	8.5
125.09725	68.5
126.10085	2.1
132.07124	0.9
143.10764	1.0
145.05072	1.5
161.04501	2.0
169.08670	1.5
171.10269	2.7
187.09749	29.5
188.10072	1.7
195.13878	4.1
211.13370	2.0
223.13358	4.7
235.08260	1.8
253.09248	5.1
275.20239	3.2
293.21225	20.6
405.17712	3.7
423.18683	4.4
474.49500	1.0
557.96198	1.0
628.94287	1.0
699.39594	100.0
700.40204	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	699.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69319	2.5
57.03436	2.7
59.01379	32.3
59.15989	2.5
61.98830	47.1
71.01365	11.9
71.51915	3.7
72.02465	2.8
74.00386	2.6
78.00218	2.6
80.34388	2.5
82.84278	2.4
88.98779	3.2
89.02440	5.8
96.96015	3.5
97.02928	5.0
97.06522	3.1
99.00881	10.5
101.02435	8.1
113.02402	2.7
116.72415	2.4
125.02419	3.0
151.11241	3.1
155.67920	2.7
161.04538	2.8
163.11285	6.7
167.10812	3.9
171.10272	14.5
177.09166	8.2
177.12808	3.3
181.12334	16.9
195.10262	100.0
195.13873	16.6
196.10597	5.3
197.11786	10.8
207.10262	37.9
207.56982	2.6
211.13420	5.9
223.13335	6.6
225.11319	79.0
235.08122	4.8
243.12355	7.5
249.14977	6.0
251.47321	2.7
253.09262	5.9
403.24765	5.0
443.19055	3.9
461.20166	25.7
462.20514	3.5
608.17096	2.9
621.30707	4.4
639.19623	4.0
639.30176	30.0
639.43481	2.4
640.30212	3.5
699.32214	29.3
700.31458	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	699.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	5.0
59.01389	6.9
59.26590	0.8
61.98834	5.1
63.05922	0.8
69.26964	8.0
71.01389	7.3
80.02652	0.8
80.86118	0.9
83.01421	0.9
85.02937	1.4
87.00844	1.6
89.02435	5.6
97.06595	14.9
98.20606	1.8
101.02450	4.7
111.08159	1.2
113.02431	3.4
119.03408	1.0
123.08174	7.6
125.09724	100.0
126.10063	2.3
130.23026	1.1
143.10823	1.6
161.04520	1.1
169.08694	2.7
171.10275	24.5
172.10593	1.2
187.09763	71.4
188.10100	2.7
195.13934	2.5
197.11844	6.2
223.13365	1.4
235.08147	1.5
246.50368	0.9
253.09326	5.0
275.20181	1.4
291.19690	3.2
293.21307	7.6
309.20682	7.3
398.17920	0.9
405.17822	5.3
423.18726	16.0
430.40216	1.1
537.33856	1.2
610.35901	1.0
660.49811	1.1
699.39551	100.0
700.39929	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	699.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
71.01375	2.6
81.03445	3.0
83.05026	7.2
87.00876	6.2
88.98798	1.0
93.03461	13.3
99.00920	1.0
101.02433	1.1
108.02166	3.9
109.02969	10.5
111.04527	19.2
112.56931	0.8
114.43277	0.9
115.00398	2.0
119.05013	1.6
122.03739	1.3
127.03985	1.1
128.03540	0.9
133.02951	1.3
135.04483	2.4
137.02435	3.6
142.79230	0.8
155.03502	25.1
173.04579	5.8
191.05542	1.4
199.04185	15.0
219.23291	0.9
226.06291	5.4
227.07104	7.0
255.10291	19.2
256.10535	2.9
269.04785	9.2
294.18375	1.0
297.04294	1.2
298.05035	1.6
309.07938	1.2
313.03616	2.2
327.05072	2.5
337.07288	1.5
343.08218	1.3
354.08810	1.6
355.08398	33.4
356.08676	1.9
357.06091	1.2
373.09940	1.1
374.09537	1.1
447.09122	1.1
525.12262	1.2
578.54254	0.9
578.63770	1.2
609.14435	6.7
610.14594	1.1
699.17383	100.0
700.17566	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	698.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52383	0.4
59.01373	2.3
61.98830	100.0
78.95881	0.5
80.96530	0.5
98.20697	0.5
135.04538	0.4
148.81071	0.4
161.02376	0.5
229.10971	0.4
237.03365	0.3
247.41982	0.3
348.53217	0.4
445.31494	0.4
514.02002	0.4
698.31299	0.8
699.44403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27437	0.2
59.01380	100.0
60.01715	0.8
60.96375	0.2
61.98832	2.1
68.72558	0.2
75.00877	0.8
88.11486	0.2
121.02971	2.7
145.52782	0.3
171.10249	1.3
191.03548	1.0
204.70459	0.2
209.04544	1.5
223.13463	0.3
249.46275	0.2
385.80554	0.3
434.27988	0.3
575.12177	0.3
593.13452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	75.4
61.88742	4.8
61.98828	79.4
71.01365	24.4
71.56464	5.3
73.02924	6.0
73.23147	6.0
75.97425	4.8
79.85168	5.8
83.01389	7.4
85.02940	11.0
86.64426	5.2
87.00867	11.8
89.02447	9.3
91.27961	5.1
92.13049	5.3
96.82441	5.2
97.02954	6.4
99.82915	5.8
101.02422	16.5
113.02422	11.1
119.03434	6.8
125.09705	22.4
161.04610	6.1
161.42586	5.5
162.06641	5.3
163.11320	8.9
171.10272	21.5
185.11784	6.0
199.85390	5.4
209.11736	10.2
211.13364	16.7
213.12860	7.6
223.13431	6.3
225.56311	5.3
231.13878	14.0
235.08160	10.0
277.77475	5.2
319.52213	5.1
329.24902	8.9
351.27664	5.4
373.23825	20.4
383.22455	13.5
391.24411	7.2
401.23367	47.0
419.23965	13.7
609.32391	20.1
619.31036	49.8
620.31482	5.9
637.32214	100.0
638.32465	9.8
697.34363	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	695.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96687	0.3
58.83430	0.3
59.01381	100.0
60.01717	0.8
61.98827	1.8
66.92657	0.4
69.78161	0.7
69.78580	1.3
74.95397	0.3
78.95906	13.3
98.20620	0.7
112.95914	0.4
149.00108	0.6
152.99574	0.8
157.03886	0.4
164.73793	0.4
194.27260	0.4
197.11777	0.4
205.15944	1.2
214.99222	0.4
397.17978	0.4
447.13080	0.6
519.94342	0.5
695.31097	56.4
696.31458	10.8
696.43469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	4.5
67.01889	5.5
71.01395	5.2
71.51017	3.4
81.03510	2.5
85.02954	9.3
87.00878	2.9
93.03459	28.1
96.96002	4.0
99.92589	5.8
101.98559	1.7
109.02960	7.6
111.04523	4.7
115.00344	1.8
116.92868	60.7
117.92911	2.6
133.02942	3.8
134.03772	5.6
135.04532	64.0
137.02412	7.0
140.82220	1.9
155.03496	6.3
161.02524	4.3
173.04550	100.0
174.04871	5.9
177.71410	1.9
179.03500	56.6
180.03714	1.9
191.05629	54.3
193.05051	3.4
242.05928	3.2
243.06635	6.9
271.09671	5.6
289.07217	3.4
353.08752	88.0
354.09012	9.8
412.83273	1.9
521.12463	7.0
564.00745	2.1
612.69135	2.2
715.93256	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	695.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	9.6
60.67776	1.9
71.01380	7.3
71.51906	2.9
72.99307	2.7
85.02934	5.2
87.00869	3.5
89.00909	1.9
89.02441	3.3
93.03454	5.8
93.52310	2.0
97.55704	2.5
101.92704	1.9
105.10209	2.2
109.02956	14.6
110.97537	1.9
113.02423	3.9
117.03581	2.3
123.04559	2.5
125.02497	2.8
128.78293	2.2
133.02959	22.9
135.04529	12.6
137.02400	2.5
149.00885	7.0
149.02335	2.3
159.04456	3.1
160.05150	2.7
161.02444	5.1
163.04002	5.4
173.02464	4.0
173.04585	11.5
173.05882	2.7
174.03036	2.6
175.00357	2.9
175.03996	9.2
176.37286	2.2
177.01962	6.3
177.05618	2.6
179.03461	6.5
189.53555	2.7
191.03662	2.3
191.05582	8.8
199.03928	2.3
201.01938	2.4
203.03578	2.6
213.05638	2.7
217.05020	2.6
243.02931	7.3
245.04509	3.1
245.08215	2.2
253.05023	2.4
254.06178	2.5
255.03035	3.0
267.06711	3.2
269.04498	3.9
281.04471	2.2
282.05225	3.5
283.06128	7.6
289.07294	2.6
289.71622	2.4
293.04584	40.3
294.04895	3.7
297.04031	8.3
298.04779	20.7
299.05524	9.3
309.04007	3.6
310.04980	2.6
311.05576	21.3
312.06378	17.2
313.03696	3.5
313.07053	19.2
323.05469	5.1
325.07153	3.1
327.05084	21.2
339.05042	28.8
341.06754	15.2
344.05258	2.1
351.05185	5.4
353.06357	10.2
357.06161	9.2
369.06137	90.3
370.06488	6.8
381.06097	14.8
399.07193	60.8
400.07462	6.2
405.09958	3.2
411.07123	6.1
413.08557	11.6
427.66846	2.1
429.08331	10.9
441.08301	3.4
447.09360	3.8
453.08383	3.8
471.09369	4.1
489.10297	26.8
519.11462	11.6
521.10504	5.6
531.11401	56.4
532.11035	3.9
561.12244	14.5
563.13977	44.2
564.14252	5.8
573.12640	2.9
591.13202	5.0
609.14600	73.3
610.14453	8.3
651.15717	100.0
652.16229	14.4
695.15106	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	695.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36488	1.6
55.76244	1.9
55.88195	1.6
59.01365	14.6
69.37543	13.8
71.01382	6.3
72.99308	2.6
83.01391	2.6
85.02940	4.0
87.00888	4.4
89.02438	5.3
91.24989	1.9
93.03448	7.1
101.02455	2.9
103.00382	1.9
109.02959	19.4
111.04528	2.5
113.02486	2.1
117.03474	3.8
119.05058	3.8
121.03028	2.2
123.04496	2.0
125.02464	3.0
133.02959	28.2
134.03748	3.5
135.04538	16.0
137.02443	5.0
146.77831	1.7
147.04507	3.0
149.00922	5.7
149.02415	4.5
149.06061	2.4
151.04045	2.5
159.04491	5.4
161.02382	3.1
163.03946	2.5
165.01889	2.5
173.02414	2.7
173.04607	13.5
174.03094	2.7
174.04784	1.9
175.00293	3.2
175.03969	8.1
177.01924	5.3
177.05516	2.2
179.03459	8.2
180.13908	2.0
181.32698	1.8
182.61253	1.6
187.04002	4.2
191.03448	4.0
191.05553	7.1
199.03999	3.7
201.01938	3.5
201.05563	3.5
203.03595	2.8
213.05551	2.2
214.02597	2.0
225.05704	1.8
227.03389	2.4
241.04993	3.1
243.02934	8.7
245.04602	3.9
255.02905	3.2
269.04575	2.5
276.19705	1.9
282.05182	1.9
283.06088	8.1
285.04074	2.8
289.06955	5.1
293.04541	48.9
294.04959	4.5
295.06110	3.5
297.04016	8.2
298.04813	22.2
299.05548	13.1
309.03940	2.8
311.05679	25.8
312.06378	18.1
312.21484	2.1
313.03610	3.1
313.07111	20.0
318.48685	2.3
323.05499	7.1
325.07184	4.2
327.05081	24.9
339.05072	31.7
340.05469	2.2
341.06638	21.3
344.05392	2.2
350.59592	2.0
351.05011	4.2
353.06717	8.4
357.06134	5.8
365.06812	2.3
369.06143	98.9
370.06519	11.1
371.07507	2.8
379.04453	3.6
381.06216	13.1
383.07703	3.3
399.07227	71.7
400.07614	4.5
411.07065	5.4
412.07297	2.0
413.08865	13.6
414.08948	2.7
429.08325	15.2
441.08423	3.5
453.08197	4.7
471.09113	6.3
489.10437	25.9
490.11237	2.2
519.11359	6.0
521.10907	4.0
531.11401	55.1
532.11615	6.1
561.12512	17.1
562.13177	2.7
563.14136	43.7
564.14459	6.2
591.13684	4.0
609.14606	77.2
610.15063	10.0
612.66083	2.0
633.14484	2.7
651.15686	100.0
652.16302	13.4
695.14886	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	694.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44725	1.7
59.01375	4.5
61.98824	4.8
68.85031	1.6
78.95910	22.0
80.02689	2.3
82.77368	1.6
83.05033	10.0
113.02390	1.7
122.00136	2.6
124.72074	1.7
127.11306	2.3
140.01175	9.2
157.08705	6.8
163.11293	7.5
171.10353	2.2
183.10228	2.6
191.10878	2.1
196.03862	4.7
197.11835	14.3
198.12161	4.0
199.13397	59.8
209.11826	100.0
210.12149	4.6
227.12889	24.9
249.34006	1.7
253.09343	5.6
255.23286	74.1
256.23679	4.5
259.15485	33.1
277.21710	42.4
278.22116	5.0
452.28003	6.2
459.34781	3.3
537.89197	2.0
620.39777	2.0
662.40326	17.9
663.40918	3.8
694.43024	62.4
695.43140	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	693.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.3
57.03444	0.3
59.01382	3.7
61.98826	0.5
69.03468	0.5
71.01382	3.1
73.02952	0.8
75.08299	0.3
78.95908	0.4
83.01433	0.3
83.05038	0.5
85.02978	0.7
85.50158	0.2
87.00888	1.1
89.02451	2.1
95.01389	0.3
101.02457	3.3
113.02477	1.2
119.03511	0.6
145.05054	0.5
148.37654	0.3
153.09229	0.3
153.12860	0.9
161.04550	0.8
169.12358	5.4
179.05635	0.4
179.10730	0.5
195.10245	1.5
196.10626	0.9
197.11833	86.5
198.12190	3.8
208.58740	0.3
227.63075	0.3
235.08199	4.7
253.09282	9.7
254.09555	0.8
255.23213	0.5
277.21719	100.0
278.22055	9.5
369.42603	0.3
385.12009	0.3
415.19754	1.0
428.18060	0.4
433.20923	1.7
513.30798	0.4
693.40564	0.6
711.49677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63712	0.2
53.45708	0.2
57.03446	0.3
59.01377	2.5
61.98824	0.3
69.03461	0.5
71.01379	2.7
71.50261	0.2
73.02937	0.3
83.05033	0.5
85.02951	0.6
87.00868	0.2
89.02448	1.5
101.02441	2.1
112.63715	0.3
113.02452	1.1
119.03543	0.3
140.57083	0.2
141.09323	0.3
143.03540	0.2
145.05057	0.2
151.11386	0.3
152.99605	0.3
153.09256	0.5
153.12845	1.1
161.04581	0.9
169.12335	6.4
170.12706	0.3
179.05641	0.3
179.10735	0.6
197.11827	100.0
198.12163	5.0
227.12808	0.4
235.08206	1.0
253.09280	6.4
255.23277	0.7
261.36200	0.2
275.19870	0.2
277.21716	49.9
278.22058	4.1
415.19659	0.6
415.32077	0.8
433.20718	4.0
434.21069	0.5
513.30402	0.2
693.39984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52431	1.5
55.82405	1.4
57.03463	2.0
61.98820	3.4
63.14354	1.6
69.38737	13.0
73.86154	1.9
78.95908	62.8
80.14587	1.7
81.51262	1.5
86.93084	1.5
96.96964	6.3
152.99594	92.3
165.12854	27.0
168.92043	1.7
171.00677	8.6
183.01201	2.1
183.13908	63.5
184.14261	2.1
209.11809	6.3
227.03142	2.1
227.12926	16.8
255.23286	36.8
363.12048	7.9
437.15918	20.7
693.39838	100.0
694.40100	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	693.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96127	0.3
59.01376	0.7
61.42500	0.3
69.50031	1.9
70.29531	0.3
71.01388	0.4
72.38993	0.3
85.02950	2.0
93.03465	1.7
94.03827	0.3
99.00996	0.3
104.49605	0.3
108.02186	0.3
109.02940	0.3
111.04556	0.6
119.05023	94.9
120.05355	3.7
123.04544	0.3
125.02482	0.3
127.04040	0.4
135.04521	2.0
155.03522	0.3
155.81778	0.3
158.92891	0.3
161.02519	0.4
163.04001	100.0
164.04352	3.9
173.04568	2.9
174.04871	0.6
175.04861	0.4
179.03448	1.1
180.03885	0.5
191.05608	13.6
192.05962	1.0
193.06133	0.6
226.06381	0.7
241.08746	0.6
255.10248	0.5
256.10736	0.4
257.10834	0.4
325.09241	12.6
326.09515	0.7
343.08191	0.7
344.08585	0.4
353.08765	0.8
355.09241	0.4
519.14954	1.2
528.86627	0.3
620.04858	0.3
693.19684	0.5
704.90137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76727	1.1
58.02971	9.0
59.01367	3.6
61.06996	0.9
67.01895	2.3
69.15709	10.7
69.16118	2.6
71.01357	5.5
78.67357	1.1
84.04544	7.2
85.02960	7.5
87.00808	1.5
88.04039	4.2
92.05067	7.7
93.03453	19.8
98.59079	1.1
109.02930	2.6
111.04513	4.2
114.01954	1.9
115.00378	2.3
120.04611	2.4
123.04477	1.6
128.03537	25.6
128.04980	1.5
130.06760	1.0
132.02963	1.2
135.04521	42.7
137.02440	4.1
140.12337	1.0
144.04541	8.8
146.02435	3.2
146.06111	4.0
148.04048	21.3
153.05522	1.5
155.03511	2.8
158.93114	1.0
167.03432	1.3
173.04541	100.0
173.07100	5.2
174.04826	4.0
179.03477	6.5
191.01978	1.4
191.05623	17.4
192.05907	1.9
197.04506	2.1
209.02994	6.7
215.08177	7.2
235.07207	1.9
255.10204	1.6
256.10565	1.6
259.07230	2.2
277.08286	39.7
278.08521	3.0
321.07394	8.0
341.08594	2.5
343.08289	2.1
345.08975	1.9
353.08603	7.1
371.09808	39.3
372.10147	2.8
436.35284	1.1
440.38528	1.2
460.86536	1.3
519.14240	1.7
693.17694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.4
59.95310	3.0
61.98817	4.3
62.80833	2.4
65.07264	2.3
71.01360	3.9
71.50096	2.2
101.02418	3.6
106.81335	2.6
124.58149	2.7
127.73344	3.1
143.92647	2.6
177.09132	8.8
195.10258	55.3
253.09277	8.8
277.21732	100.0
278.22052	5.6
568.34491	3.5
625.70093	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	691.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96037	1.7
61.98818	6.0
69.29613	6.2
69.30037	7.6
78.95905	65.7
96.96949	5.0
111.08101	3.9
112.07185	1.5
114.54851	1.6
115.45397	1.5
152.99593	100.0
165.12852	31.2
171.00647	10.8
183.13902	96.3
183.15112	1.1
184.14201	2.8
191.10922	1.8
203.59001	1.7
205.78804	1.9
209.11794	6.9
221.31657	2.1
227.03206	4.9
227.12909	24.3
271.86578	1.6
363.12119	6.1
392.98691	1.7
437.15811	22.5
442.20438	1.8
455.16864	73.5
456.17001	3.6
640.66852	1.8
691.38208	73.2
692.38312	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	691.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.8
60.61505	0.7
61.98835	1.1
71.01382	3.0
78.95942	0.8
82.18411	0.8
83.01360	1.0
83.05043	1.0
85.02951	0.7
89.02450	2.4
101.02457	2.5
113.02448	1.1
115.13462	0.7
128.26634	0.9
149.09694	1.9
151.11252	2.5
154.02214	0.7
159.10236	1.2
161.04573	1.3
167.10773	2.8
177.09213	9.3
195.10262	72.4
196.10576	2.4
200.14450	0.9
209.11752	1.5
235.08202	3.4
253.09297	8.7
263.19934	1.3
275.20319	1.0
277.21710	100.0
278.22025	6.3
431.19043	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29195	2.4
59.01370	16.0
61.98831	69.0
68.99822	4.3
70.74610	8.6
71.01379	12.8
72.99284	3.0
73.02939	5.5
87.00895	4.7
87.43349	2.7
88.98811	3.3
89.02457	9.0
97.02953	4.5
101.02470	11.0
109.06591	12.5
113.02439	6.0
125.09711	23.1
145.05064	3.2
148.87090	2.8
161.04604	5.0
163.11259	11.0
169.12329	4.7
171.10280	6.5
181.12376	3.9
183.13881	7.5
185.11841	28.9
195.10184	6.7
197.11768	19.4
198.12090	7.0
199.13451	6.4
201.11212	3.8
207.10262	32.2
209.11824	40.0
211.13402	50.8
212.13664	4.8
213.11276	18.0
225.11319	18.5
227.12875	9.3
235.08157	7.4
243.12477	3.2
253.09349	11.3
259.15472	13.7
293.21140	9.7
374.06924	3.2
383.22321	8.3
397.13550	5.4
401.23257	18.3
415.14514	4.7
419.24576	5.0
449.20126	6.1
461.20145	6.7
585.70422	4.0
609.32684	6.5
619.31378	18.5
620.31354	3.4
637.32233	100.0
638.32782	16.7
641.32678	3.9
655.33453	33.5
656.33289	4.8
659.32629	58.3
660.32758	6.2
691.35168	22.3
692.34375	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03443	0.7
58.00579	0.6
59.01381	16.6
61.98835	5.0
65.68304	0.3
65.90767	0.4
67.11862	0.3
69.03454	0.9
71.01388	13.1
72.99299	0.9
73.02972	1.6
75.00852	0.4
81.03468	0.8
83.01389	1.1
83.05006	0.3
85.02956	2.8
87.00887	2.2
89.02445	12.1
95.01385	0.9
97.02953	1.4
99.00880	0.6
99.04518	0.4
101.02443	9.4
109.02973	0.4
113.02460	4.9
118.62559	0.4
119.03500	3.0
125.02454	3.4
125.09763	0.4
131.03487	1.0
133.04968	0.4
143.03506	1.8
149.04561	0.3
161.04582	2.5
162.10347	0.3
166.13069	0.3
167.10794	0.4
169.12349	0.9
179.05646	2.8
179.14433	0.6
185.11877	0.8
195.13901	7.3
196.14508	0.6
197.11729	0.4
201.11415	0.4
205.12329	0.7
205.15848	0.5
209.11786	0.9
211.13385	1.6
221.06702	0.9
223.13397	6.1
228.13615	0.4
231.21053	0.4
235.08217	3.4
253.09315	1.9
256.13165	0.9
259.15289	0.7
263.07648	0.4
265.21857	0.4
275.20117	4.1
287.07712	0.8
290.82166	0.3
293.21231	100.0
294.21552	7.9
294.24698	0.6
305.08704	0.6
323.09726	0.5
397.13513	20.7
398.13879	1.8
406.95529	0.3
415.14581	25.6
416.14871	1.3
517.14490	0.5
654.27551	0.6
691.35162	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	691.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89876	1.2
57.03442	4.3
60.51807	1.2
67.01864	1.9
68.78921	1.4
71.01377	1.5
71.01897	1.1
71.18842	1.2
71.52117	1.5
74.41601	1.2
79.95744	1.3
81.03452	3.0
83.01363	3.4
85.02943	3.8
93.03448	13.0
94.03784	1.4
95.01369	1.4
95.05043	1.9
96.96010	39.7
97.02951	4.9
108.02175	2.5
109.02956	27.1
111.04528	3.0
119.05051	2.9
121.02958	1.9
121.05193	1.5
122.03740	1.8
123.04528	18.3
125.02458	18.2
135.04529	23.1
137.02431	11.9
139.04001	2.3
145.02985	1.6
146.03720	1.6
149.02438	3.1
151.04007	7.0
153.35542	1.2
155.03432	3.0
159.04498	3.4
161.02374	3.3
161.06047	4.3
162.03127	2.2
163.03969	3.4
164.01096	2.9
165.01971	3.5
173.04543	43.8
173.06047	2.4
174.04839	1.7
175.03955	3.1
175.07664	3.4
177.01900	1.7
179.03485	19.2
187.03987	4.6
188.04739	3.9
191.05615	19.0
191.07220	2.3
201.05544	1.4
202.06342	1.4
203.07181	14.3
205.05058	7.5
210.67293	1.3
221.08171	4.8
227.07100	3.0
227.35703	1.2
245.08157	17.8
247.06004	1.5
255.10260	5.6
289.07178	100.0
290.07578	9.1
331.35590	1.4
337.09195	5.1
343.08109	5.4
353.08768	21.5
415.48996	1.4
458.42078	1.4
691.18213	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	691.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76233	0.9
55.69115	0.8
58.00582	0.8
59.01382	15.5
62.63926	0.7
67.01888	1.0
69.03452	0.9
71.01382	17.1
71.51929	1.0
81.16686	0.8
85.02947	9.2
85.06588	1.4
87.00872	3.4
89.02450	15.6
93.03461	14.6
96.96008	6.0
101.02470	3.6
108.02178	5.2
109.02962	8.8
111.04530	2.2
113.02447	4.2
113.06099	4.5
115.00362	4.7
115.04068	1.0
119.03503	6.4
119.04970	3.9
121.03008	0.8
122.03758	1.7
123.04490	0.8
127.04006	2.2
133.02972	1.9
134.03740	1.2
135.04536	24.9
136.53210	0.7
137.02451	1.7
143.03490	1.1
155.03528	1.5
161.02435	1.4
161.04558	2.1
161.05957	0.9
163.04019	3.1
173.04559	30.4
173.06070	1.6
179.03513	20.7
179.05623	17.9
180.03758	0.8
191.05624	100.0
192.05916	2.2
224.38548	1.0
226.06349	5.4
227.07120	7.5
253.08698	1.2
255.10263	41.1
256.10574	2.6
289.05569	1.3
299.09204	0.9
315.65256	0.8
337.11777	6.2
338.11450	0.9
343.08234	32.2
344.08502	2.5
353.04523	1.5
353.08762	24.1
354.09125	1.4
463.11081	1.1
473.14526	1.0
517.13507	13.6
518.13739	1.2
691.18811	8.1
692.19385	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	691.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90207	0.2
55.34352	0.3
57.03449	0.7
59.01374	1.2
65.03958	0.3
67.01881	2.4
67.55417	0.3
69.03442	0.7
69.78378	1.5
71.01382	3.6
72.99319	0.4
73.02926	0.4
79.95716	0.4
81.03471	0.6
83.01398	0.3
83.05017	0.9
85.02946	8.1
87.00877	2.7
93.03452	14.1
94.03780	0.4
96.96008	11.2
98.20588	0.3
99.04520	0.6
108.02178	3.3
108.59949	0.3
109.02961	7.9
111.00872	0.7
111.04520	3.5
112.29141	0.3
113.02396	0.3
115.00381	4.2
119.05026	4.1
121.02952	0.4
122.03725	1.5
123.04507	0.5
125.02454	0.7
127.04012	2.0
129.01985	0.3
133.02885	0.5
133.06662	0.3
134.03734	0.7
135.04527	16.7
136.04858	0.4
136.52617	0.2
137.02452	2.4
139.00281	0.3
140.31693	0.2
147.04555	0.6
148.05281	0.5
149.00916	0.6
149.06091	0.4
155.03499	3.0
161.02431	0.9
161.06090	0.8
163.04021	4.7
171.02945	0.5
173.04543	35.3
174.04881	1.1
177.01971	0.5
179.03490	12.1
180.03838	0.5
191.05605	100.0
192.05972	2.4
213.00165	0.3
226.06320	4.2
227.07118	10.2
235.96881	0.3
235.99297	0.3
239.07147	0.6
253.08667	1.3
255.10255	30.4
256.10623	1.6
267.43082	0.3
281.08151	0.6
289.05725	0.4
299.09259	1.5
325.07156	0.7
337.09296	3.4
338.89478	0.3
343.08200	24.9
344.08502	1.7
353.08728	8.5
354.09256	0.5
367.53647	0.3
463.10727	0.8
473.14380	1.2
473.42581	0.3
499.12531	0.6
517.13452	15.2
518.13953	1.7
554.34131	0.3
613.06335	0.3
691.18707	12.6
692.19098	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	691.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60958	1.1
53.93872	1.0
59.01384	1.6
59.03119	1.1
67.01883	3.8
69.03443	1.4
69.71600	3.5
69.71999	2.7
71.01382	3.7
81.03454	1.6
83.05032	1.8
85.02946	7.9
87.00849	1.2
93.03462	30.3
95.42340	1.4
96.96010	3.3
108.02159	1.8
109.02950	6.3
111.04513	7.2
119.04250	2.2
119.05025	23.2
127.04000	2.5
133.02922	1.7
134.03717	5.1
135.04526	74.3
136.04834	2.9
137.02444	5.7
145.06853	1.4
147.45006	1.1
155.03479	6.8
161.02417	5.1
163.04012	39.5
164.04347	1.5
173.04543	100.0
174.04842	3.1
179.03497	60.0
180.03778	3.4
191.05608	82.8
192.05939	2.4
226.06352	1.9
227.07164	2.5
239.07166	2.4
255.10263	22.3
256.10620	1.8
299.09192	3.0
337.09250	19.6
338.09198	1.2
343.08221	13.0
353.08734	56.9
354.09009	3.3
427.39371	1.2
517.13513	19.0
518.13892	1.6
691.18750	21.5
692.19019	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	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
67.01890	4.0
69.03463	0.7
69.84753	2.4
71.01392	2.8
80.16821	0.4
81.03431	1.0
83.05032	0.7
85.02948	4.3
87.00873	0.8
91.17605	0.5
93.03463	26.9
96.96012	2.5
108.02186	2.0
109.02968	5.3
111.00894	1.0
111.04532	4.1
115.00393	1.6
119.05020	6.9
121.74294	0.5
122.03722	0.8
123.16782	0.5
127.03999	1.9
133.02898	0.8
134.03764	1.5
135.04527	40.7
136.04843	1.2
137.02431	5.3
153.49313	0.5
155.03534	4.8
161.02463	1.5
163.04013	7.9
173.04543	100.0
174.04907	2.3
179.03493	34.7
180.03810	1.4
191.05608	38.1
192.05986	1.4
221.99232	0.5
226.06400	1.7
227.07153	2.0
230.05319	0.5
255.10263	15.3
256.10663	1.1
281.08163	0.8
299.09259	1.1
325.07153	1.6
337.09274	14.6
338.09528	1.0
343.08218	10.8
344.08746	1.0
353.08765	34.0
354.09122	2.0
418.02985	0.5
473.14722	1.3
517.13519	11.8
518.13892	1.5
543.26331	0.6
617.62830	0.7
691.18634	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	691.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
67.01906	1.0
69.17932	1.3
69.18331	5.9
71.01392	5.1
82.60897	0.7
83.05032	1.0
85.02946	7.7
87.00891	2.0
88.50112	0.7
93.03459	14.7
94.03857	1.1
96.96048	0.8
108.02175	12.1
109.02955	24.4
109.03705	1.4
111.04520	2.9
115.00371	9.8
121.02979	0.8
122.03754	5.5
123.04546	1.5
127.04019	2.3
127.63540	0.7
133.02927	0.7
135.04541	4.6
137.02444	3.0
145.06610	1.6
147.04539	0.9
155.03511	2.6
161.06117	1.5
173.04541	35.6
174.04860	1.7
179.03470	4.5
191.05609	90.8
192.05977	2.6
225.05586	1.5
226.06357	15.8
226.08557	0.6
227.07108	13.8
228.07439	0.8
239.07227	0.8
245.30406	0.7
253.08739	4.5
255.10254	100.0
256.10638	6.6
281.08133	1.3
289.05536	2.5
299.09164	1.4
343.08200	85.3
344.08423	6.0
353.08731	5.2
456.99966	0.7
463.10651	2.6
468.22852	0.9
473.14227	1.4
499.12842	0.9
517.13489	32.2
518.13782	3.3
691.18744	16.8
692.19080	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	691.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01378	1.7
59.77812	0.3
67.01880	1.4
67.53831	0.3
69.03461	0.5
69.45684	0.3
69.46162	0.6
69.46491	2.4
69.72312	0.3
71.01384	3.3
72.99309	0.4
73.02921	0.4
79.45251	0.3
81.03447	0.4
81.46507	0.3
83.05002	0.3
85.02954	9.6
86.03258	0.3
87.00881	1.7
93.03461	11.6
94.03780	0.5
96.95999	1.5
99.04505	0.5
108.02163	3.5
109.02956	8.8
111.00884	0.4
111.04527	2.8
115.00378	3.5
119.05015	1.8
121.02927	0.7
122.03721	1.8
123.04552	0.7
127.04020	2.4
133.02914	0.6
133.06703	0.3
134.03702	0.4
135.04529	8.9
137.02469	2.2
145.06564	0.6
148.05278	0.4
149.06073	0.6
155.03519	2.2
161.02448	0.8
161.06059	0.5
163.04022	1.4
171.02971	0.9
173.04546	25.3
174.04892	0.7
179.03500	7.6
189.02180	0.3
191.05618	100.0
192.05948	2.8
226.06345	5.5
227.07127	9.6
228.07503	0.8
228.64954	0.4
239.06978	0.5
242.93913	0.3
253.08627	1.6
255.10265	31.6
256.10547	2.2
281.08218	0.9
289.05695	1.0
299.09232	0.9
322.74149	0.4
337.09155	0.9
343.08197	30.0
344.08447	1.9
353.08759	7.3
463.10916	1.3
473.14667	0.8
474.01428	0.4
499.12473	0.5
517.13525	12.1
518.14032	1.1
691.18823	6.3
692.19354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01375	2.7
64.11471	0.6
64.48149	0.6
66.14118	0.7
67.01892	4.9
69.03420	0.9
71.01383	5.6
81.03438	1.4
83.05019	1.4
85.02949	8.8
87.00877	2.4
93.03460	28.8
94.03789	1.3
96.96011	4.6
107.05008	1.9
108.02173	2.9
109.02956	8.2
111.00848	1.6
111.04501	6.5
113.02454	0.8
115.00356	3.1
119.05054	4.4
122.03718	1.4
123.04548	0.7
125.55718	0.6
127.04004	2.1
133.02963	1.6
134.03745	2.5
135.04526	62.6
136.04831	1.7
137.02448	5.9
149.06059	0.8
155.03519	5.9
161.02423	4.0
163.04051	4.2
164.13559	0.7
173.04543	100.0
174.04839	3.3
175.77632	0.6
177.01959	1.7
179.03496	57.4
180.03836	2.7
191.05606	75.7
192.05922	2.1
226.06381	2.9
227.07156	3.6
233.04460	0.7
239.07133	1.1
253.08728	0.9
255.10252	25.3
256.10583	1.9
265.51730	0.6
277.03427	0.9
289.05386	0.8
299.09262	1.3
337.05890	0.8
337.09250	3.5
343.08191	15.5
344.08533	0.9
353.08743	66.9
354.09103	4.0
463.11087	1.4
473.14621	1.2
517.13483	13.3
584.25482	0.7
691.18671	11.6
692.19080	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	689.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30321	31.9
61.98840	51.5
71.51242	30.1
107.53471	29.0
141.08618	28.4
157.08636	45.4
177.92639	26.8
245.73828	27.8
281.24811	100.0
450.55469	29.2
712.75555	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	689.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71314	22.7
61.98845	18.6
63.39011	17.5
69.91850	100.0
100.31650	23.2
102.25080	17.1
110.25141	21.3
115.92095	21.1
152.99632	21.5
157.08545	22.6
182.12706	19.4
191.27724	20.2
209.45514	20.8
231.72887	21.1
255.23123	23.6
502.82874	20.7
513.45770	20.6
545.13782	23.3
546.46161	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	689.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86581	1.2
58.92329	1.2
59.01373	6.8
61.98828	11.0
69.93430	6.5
71.01382	5.4
75.00906	1.6
87.00906	2.1
89.02457	4.6
101.02443	5.4
111.08151	1.6
113.02450	2.9
136.36551	1.6
161.04587	3.2
165.12871	10.3
169.12323	2.8
171.10234	1.2
183.13908	88.3
184.14279	4.6
193.12221	3.0
197.11830	31.7
198.12196	1.9
209.11768	5.9
211.13406	100.0
212.13745	5.0
226.89000	1.4
227.12859	4.6
235.08289	3.3
240.42723	1.4
241.14409	1.4
253.09309	10.3
273.17059	27.5
274.17471	2.5
395.11572	1.3
423.97665	1.3
433.20331	1.9
447.22250	2.4
463.21616	2.7
504.11325	1.5
657.34857	95.6
658.35443	14.1
689.37476	10.5
690.37006	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	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01383	5.2
61.98824	5.9
64.51869	0.6
69.03466	4.3
69.45211	4.7
71.01379	4.4
71.05019	1.1
83.01359	1.1
83.05048	0.9
84.55086	0.6
85.02946	0.9
87.00887	1.0
89.02438	2.1
95.01347	0.6
95.92813	0.5
97.02979	0.8
97.06586	0.7
98.20634	0.7
99.00912	0.6
101.02448	3.8
108.49075	0.6
113.02434	2.1
119.03486	0.7
123.04522	0.6
123.08179	1.7
125.02467	2.2
125.09727	1.5
151.11299	3.0
153.12857	2.4
161.02435	0.7
161.04572	1.4
161.09717	3.0
169.12335	5.5
179.10782	7.0
181.12402	0.9
183.13927	2.6
195.10275	1.0
197.11824	100.0
198.12160	4.6
207.10210	0.8
209.11800	3.3
210.12173	1.3
211.13434	4.6
223.09666	1.2
225.11166	1.3
227.12952	2.8
235.08253	0.9
241.10783	2.2
243.12480	1.2
253.09299	3.3
259.15488	2.1
273.17142	1.5
283.02542	0.7
396.45541	0.7
415.14960	0.7
433.20926	0.8
477.19742	1.7
657.31250	63.7
658.31451	8.6
689.33887	26.2
690.34424	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.01411	18.0
71.51619	26.9
73.18365	16.2
88.33566	17.1
129.75610	16.4
135.58081	16.7
174.54712	18.3
183.07593	18.6
209.11797	48.2
211.13420	64.1
216.24690	16.9
223.13322	33.6
227.49112	19.9
242.80321	18.0
296.53915	20.5
689.32953	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
56.51229	0.6
57.03437	1.3
58.00593	0.7
59.01381	18.2
61.98834	7.3
67.64060	0.6
69.03458	1.2
71.01382	17.6
71.90015	0.6
72.99292	1.5
73.02944	3.0
81.03433	1.1
83.01389	2.3
83.05004	1.8
84.78510	0.6
85.02945	3.1
87.00861	3.1
89.01930	1.2
89.02449	15.1
89.64914	0.6
95.01390	1.2
95.05036	1.0
97.02953	2.3
99.00883	1.4
101.02444	14.2
111.08163	9.4
113.02458	6.8
119.03513	5.2
125.02444	5.5
131.03450	0.7
139.94862	0.7
143.03499	2.0
149.04572	0.7
161.04562	2.9
163.11240	0.9
167.10762	1.9
171.10236	0.9
175.02663	0.6
177.12936	1.3
179.05550	3.3
179.10867	1.3
183.13881	0.7
194.96277	0.7
195.10234	1.0
195.13910	5.9
197.11885	5.0
209.11829	9.0
210.12117	3.0
211.13434	16.9
227.12814	3.3
235.08247	6.6
241.14439	5.6
242.14781	3.0
243.15175	1.8
247.20612	1.7
253.09380	4.1
259.15475	10.5
263.00528	0.8
273.18732	1.0
291.19662	100.0
291.91238	0.8
292.20026	8.0
299.46640	0.6
305.08652	1.3
379.12454	0.8
397.13498	39.5
398.13818	2.1
415.14606	21.8
415.19125	0.5
416.15112	1.6
420.47321	0.8
447.22543	0.8
532.64929	0.7
538.32007	0.9
657.31482	1.2
671.32135	1.0
689.23401	0.7
689.33313	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13017	2.0
57.03447	15.2
59.01371	10.2
61.98829	18.1
69.03443	3.7
71.01383	8.6
71.05028	1.7
83.01354	6.3
83.05015	3.1
87.00871	2.4
89.02453	3.7
92.43647	1.5
94.25053	1.7
95.01349	1.5
95.05035	3.5
97.02914	4.6
99.00887	3.7
101.02425	5.3
109.02953	16.8
112.53115	2.1
113.02420	3.3
121.02911	3.9
122.03722	2.9
123.04507	15.8
125.02446	100.0
125.09731	3.6
126.02782	3.2
133.02899	5.5
135.04524	2.0
137.02405	4.4
138.75063	1.8
139.03998	2.6
145.02936	2.8
146.03654	2.0
149.02411	6.0
151.03964	13.1
151.11263	2.3
159.04478	2.6
161.02434	33.4
161.04524	2.0
161.06036	3.8
161.09694	4.5
162.03156	2.4
163.04022	2.4
163.11249	2.6
164.01094	2.7
165.01923	3.2
165.12796	2.5
169.12350	2.9
171.10237	4.0
175.03955	3.2
177.01886	4.2
179.10739	3.4
181.12309	3.9
183.13863	7.3
187.03932	1.8
188.04694	3.0
195.10275	2.0
197.11819	62.1
198.12132	5.8
199.13312	5.4
203.03535	2.4
203.07123	4.5
205.04961	5.9
205.08694	4.6
207.10124	7.9
209.11789	12.6
210.12102	2.9
211.13455	7.8
214.64011	1.6
217.08707	9.0
219.10170	2.2
225.11256	14.2
227.12857	8.9
228.13214	2.3
235.08167	2.9
241.14360	2.9
242.14510	2.9
243.12378	7.5
245.04506	8.0
245.08138	4.0
247.06058	2.6
253.09189	3.8
255.10243	4.6
259.15610	8.7
271.09744	1.9
281.04669	2.4
285.07690	2.2
287.05630	15.2
289.07266	3.2
307.06158	2.4
309.11450	1.5
321.08182	1.6
323.09018	1.8
325.14294	2.6
335.09198	5.7
336.09927	5.1
353.10123	2.9
365.10144	3.4
368.09714	1.9
369.13400	51.4
370.13675	4.2
379.11761	3.3
391.28690	2.0
409.13004	2.5
419.14893	3.3
487.13962	80.8
488.14230	10.2
505.15027	14.8
531.16620	13.9
537.17664	4.9
657.19708	10.0
657.31201	32.0
658.20929	2.2
658.31598	2.9
671.32629	5.5
688.32434	3.3
689.33405	56.4
690.33838	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	687.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.9
61.98831	10.4
71.01379	5.1
71.06158	4.0
73.02956	2.4
84.62511	1.5
85.02971	2.0
87.00862	2.0
89.02448	3.8
96.96001	2.3
101.02439	5.7
109.92117	1.7
111.08166	3.8
113.02447	2.3
159.10280	11.3
165.12828	8.7
183.13893	72.4
184.14247	4.0
197.11824	10.8
197.17752	1.8
206.44325	1.6
209.11884	8.7
211.13345	4.7
227.12926	9.3
235.08281	3.7
241.14447	100.0
242.14694	4.7
253.09328	12.4
255.23624	1.9
291.19501	2.3
309.20596	5.7
445.20959	1.9
463.21738	4.6
587.19861	1.7
655.34753	3.1
687.35992	77.7
688.36444	10.3
717.67340	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	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01383	7.9
61.98833	13.0
67.70894	0.8
69.03443	2.7
69.48753	6.0
71.01387	6.4
71.05009	1.9
73.02952	1.6
81.48566	0.8
83.01418	0.8
83.05002	2.0
85.02944	2.5
86.00112	0.9
87.00893	1.1
89.02447	4.6
97.06573	1.5
99.00849	1.0
101.02444	4.9
109.06622	0.8
113.02409	2.6
119.03490	1.1
123.08126	0.9
125.09703	3.4
149.09746	1.2
151.11246	1.4
153.12813	1.2
161.04572	1.6
161.09723	2.3
165.12880	5.3
167.10689	0.9
171.10275	2.6
179.10820	4.4
183.13892	42.9
184.14230	1.8
185.11792	1.5
195.13866	2.4
196.23393	0.9
197.11833	53.1
198.12091	2.4
199.13382	1.9
201.11314	10.5
205.12277	2.5
207.10048	1.1
209.11833	25.3
209.13785	1.6
210.12161	1.4
211.13313	2.3
211.78522	0.8
223.13406	21.3
224.13580	1.3
225.11324	0.9
227.12872	13.5
228.13271	1.5
235.08212	3.4
241.10791	2.9
241.14433	9.3
253.09274	7.7
338.09375	0.8
389.23224	1.1
445.20566	1.1
459.22464	2.9
463.21777	4.2
465.36005	1.9
477.19730	1.7
525.27258	1.5
615.57666	0.9
643.33276	3.7
669.31360	4.0
687.32269	100.0
688.21082	1.3
688.32556	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	686.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92851	0.4
61.98831	100.0
98.20663	1.3
111.18715	0.4
160.60518	0.5
192.54625	0.4
209.11772	0.5
228.08023	0.6
229.37793	0.7
279.23096	0.5
408.46356	0.4
432.60797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72642	0.9
54.36526	0.8
67.01915	2.1
69.51810	6.2
71.01380	2.7
72.77567	0.9
83.00195	0.8
85.03005	1.2
91.77067	0.9
93.03465	18.9
102.26246	0.9
103.72858	0.8
108.02155	1.6
109.02958	1.5
111.00943	1.0
111.04536	2.9
115.68600	0.8
119.92635	1.1
123.04492	1.6
126.29749	0.9
135.04536	34.3
135.78516	1.0
136.04884	0.9
137.02454	3.6
152.01195	1.2
153.05600	3.1
155.03543	2.8
171.15698	1.1
173.04556	100.0
174.04845	3.1
191.05621	3.9
192.10370	1.0
197.04578	3.2
209.02968	1.2
231.13802	1.0
256.21017	0.9
270.54501	1.0
315.07114	1.2
338.02722	1.1
341.08716	4.3
353.08759	1.8
371.09818	37.5
372.09973	1.5
554.61804	0.9
621.48438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05567	0.5
55.01888	1.0
56.82150	0.6
56.94427	0.5
57.03444	0.8
59.01377	6.4
61.98819	1.4
67.01872	0.5
69.03462	4.8
69.22108	5.1
71.01376	4.6
71.05018	2.4
73.02969	0.8
77.36391	0.5
81.03481	0.7
83.05026	1.1
85.02927	1.4
87.00864	0.9
89.02459	1.8
95.01402	0.6
97.02953	4.8
97.06573	1.4
99.00893	4.0
101.02449	4.2
108.02102	0.6
109.06589	1.2
110.03759	1.4
111.00888	0.7
113.02431	2.0
117.07123	0.6
119.03479	0.9
123.08143	1.5
125.09723	4.2
136.05269	0.9
142.02663	1.1
151.11299	2.2
153.12845	0.9
161.04507	1.1
161.09727	4.5
163.11244	4.5
172.21130	0.5
179.10779	7.6
181.12349	11.3
182.12700	0.6
185.11833	2.8
191.40604	0.5
197.11833	60.3
198.12170	3.1
204.22360	0.6
207.10268	25.0
208.10599	0.8
209.11893	0.8
223.09738	1.3
225.11319	32.4
226.11537	1.4
235.08221	0.9
237.11366	1.3
241.10855	3.2
243.12383	2.2
253.09232	2.1
311.86499	0.5
361.23792	0.7
379.24847	0.6
405.22476	0.7
459.18692	1.0
461.20236	2.2
465.53018	0.6
477.19733	2.9
597.32684	1.1
641.31580	1.9
667.28680	1.0
685.30756	100.0
686.19232	1.0
686.30988	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	685.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
57.03447	9.3
59.01379	22.9
59.45146	1.4
63.47469	1.5
67.01888	3.2
68.99817	1.7
69.03461	9.9
71.01376	21.9
71.50238	2.3
71.50600	1.9
72.71783	1.6
72.99306	4.6
73.02942	17.4
81.03449	3.5
83.01380	13.4
83.05016	2.1
85.02951	92.8
87.00874	100.0
88.01212	1.6
88.51231	1.4
95.01380	25.2
97.02951	32.6
99.00917	1.9
99.04520	2.5
101.02462	1.7
103.04000	9.5
109.02940	4.9
111.00879	29.6
113.02451	49.2
115.00381	17.0
115.04027	3.6
125.02457	2.6
127.04014	8.9
129.01923	5.1
139.00368	31.1
145.05009	3.1
155.03511	6.0
157.01425	30.0
163.06090	3.5
167.79565	1.5
173.04567	7.1
175.02472	59.4
175.03989	3.2
199.02411	7.9
217.03543	39.2
241.07117	2.2
259.04681	3.1
259.08029	2.0
285.06107	3.8
303.07199	31.6
321.08160	8.8
345.08255	19.8
363.09244	10.1
453.48087	1.6
521.11505	24.3
539.12286	3.2
581.13409	17.8
582.14252	2.1
625.15955	6.2
667.17114	22.4
685.18372	36.1
686.18713	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	685.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
65.00312	0.5
69.69718	1.2
69.70131	2.1
70.85084	0.5
71.01380	14.6
87.00882	0.7
93.03484	1.0
105.03484	0.5
109.02960	1.3
110.33858	0.5
115.00381	7.4
119.05046	0.6
121.02957	100.0
122.03323	2.6
125.02463	1.3
133.02956	8.5
135.04561	0.9
137.02467	0.6
147.04536	0.8
149.02470	0.6
157.93587	0.5
161.02397	1.0
163.00378	0.8
163.04021	2.3
165.01872	1.4
173.04581	0.7
175.03987	1.7
177.01988	0.6
191.03494	1.2
191.05653	0.8
199.04047	0.7
201.01961	0.9
215.03461	0.6
225.05881	0.6
227.07085	0.6
229.05186	0.6
237.04019	13.3
238.04527	0.7
241.04999	0.8
248.86551	0.5
253.05119	1.0
269.04510	0.6
281.04541	0.7
284.03201	6.1
285.03934	4.1
297.04016	10.8
298.04764	4.8
299.05585	12.2
300.06146	0.7
309.03900	0.8
311.05670	1.7
327.05075	64.2
328.05429	4.1
339.04907	2.5
341.06680	1.1
343.55219	0.5
357.06161	16.2
358.06461	1.3
369.06024	2.4
393.06107	1.1
433.63370	0.6
447.09308	55.5
448.09708	4.7
537.21570	0.9
685.23682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31500	0.3
54.01163	0.3
57.03456	3.9
59.01381	6.6
61.98832	0.6
69.03458	0.6
71.01381	5.7
73.02950	0.7
83.01400	0.7
83.05037	0.6
85.02956	0.9
87.00870	1.0
89.02441	4.2
95.05048	1.4
97.06596	14.8
101.02441	3.5
113.02453	2.0
119.03548	0.7
123.08170	7.1
123.62080	0.4
125.02427	0.4
125.09729	100.0
126.10054	2.6
143.10759	1.7
161.04547	1.4
169.07500	0.4
169.08698	2.6
173.03287	0.4
178.92441	0.4
179.05597	0.9
187.09758	77.3
188.10098	2.9
201.11288	0.5
211.09827	0.9
253.09329	1.9
256.56570	0.4
261.13440	1.5
277.21729	14.8
278.22064	1.1
405.17691	5.6
406.17612	0.6
423.18735	19.3
424.19229	1.6
683.40100	100.0
684.40485	16.3
684.49921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37310	0.6
57.03447	5.0
59.01378	4.0
61.36197	0.8
64.19656	0.6
69.03443	1.4
70.07665	2.2
70.08073	1.3
70.75640	0.7
71.01385	4.2
73.02943	1.1
78.70067	0.6
83.01397	0.9
83.05039	1.1
85.02943	1.7
87.00874	2.3
89.02453	2.1
95.05037	1.9
97.06583	17.1
98.20036	0.9
99.00874	0.7
101.02440	5.7
113.02437	1.7
123.08168	9.5
125.09718	90.8
126.10040	2.5
143.03398	0.6
143.10809	1.0
145.05040	1.8
157.97626	0.6
161.04546	1.7
169.08662	2.2
187.09744	36.7
188.10072	1.0
235.08202	2.5
253.09344	2.6
277.21704	47.9
278.22043	3.7
362.36359	0.7
405.17670	5.7
423.18695	6.6
521.35205	0.9
683.40063	100.0
684.40454	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	684.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98832	100.0
64.39307	0.3
71.51562	0.3
78.95919	0.5
93.21656	0.3
101.02448	0.4
119.44758	0.3
144.99690	0.3
162.55733	0.4
171.10303	0.4
195.10368	0.3
211.13420	0.4
223.13387	0.7
255.23401	0.4
266.29440	0.4
277.21783	0.6
279.23441	1.0
280.23636	0.3
464.39966	0.3
494.33176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62347	2.3
59.01114	3.5
59.01384	46.4
61.98819	6.9
65.55658	2.2
70.63310	2.4
71.01381	14.3
72.28307	2.4
73.02948	3.5
75.08588	2.1
78.95885	3.7
85.02926	5.0
87.00875	6.0
89.02428	4.4
91.72289	2.6
94.32964	2.5
98.20666	9.7
101.02434	10.2
101.54137	2.8
109.06611	2.6
110.98489	3.2
113.02425	5.2
118.24726	2.3
125.02412	3.7
145.05048	4.6
157.08681	6.3
161.02435	2.4
167.01134	2.9
171.10231	24.6
208.77795	2.5
230.05916	3.3
235.08168	7.7
237.14946	3.0
253.09203	5.4
255.23264	6.9
277.21710	17.9
279.23346	14.7
293.21127	9.0
302.78259	2.6
325.25204	4.2
343.26266	5.0
359.25708	5.3
369.24170	10.6
387.25378	43.1
388.25485	3.5
405.26392	21.9
406.26590	2.8
447.25177	14.9
536.63513	2.7
623.34344	100.0
624.34363	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	683.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24487	1.1
56.09792	0.9
57.03441	1.9
59.01109	1.2
59.01382	14.8
61.98833	20.0
67.85157	0.8
71.01384	11.5
71.52093	0.8
71.52500	1.1
72.99277	1.1
73.02930	2.1
74.02508	0.9
83.01383	1.2
85.02949	3.0
87.00877	2.0
88.98820	1.5
89.02440	5.6
95.01398	1.7
101.02423	4.5
108.03374	0.9
113.02450	3.3
119.50169	0.9
125.02450	1.9
135.04492	1.2
142.21147	0.9
175.03966	1.0
187.81595	1.0
205.05080	1.1
213.87021	1.0
266.93109	0.9
313.23978	2.6
341.26807	2.4
353.23279	0.9
359.27985	12.4
503.32178	3.9
521.33374	17.1
522.33838	1.9
683.38623	100.0
684.38812	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	683.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03434	1.4
59.01376	5.7
61.98835	0.8
67.01878	0.6
69.03452	5.8
69.88745	2.4
71.01383	5.3
71.05013	1.6
73.02937	0.6
74.43987	0.5
78.37305	0.4
81.03412	0.5
85.02954	1.6
85.06595	0.8
87.00879	0.8
89.02451	2.2
97.06572	0.9
99.00880	0.7
101.02444	3.8
102.12762	0.4
105.69949	0.5
109.06588	0.7
113.02448	1.5
119.63356	0.5
123.08153	0.8
125.09706	2.8
134.62202	0.4
151.11252	2.4
153.12874	1.1
161.04573	0.6
161.09727	4.0
167.10716	2.2
177.12825	0.6
179.10767	10.2
179.14355	2.5
195.12288	0.7
195.13899	7.2
197.11827	52.9
198.12158	2.2
205.12352	5.7
206.12657	0.6
223.09824	1.2
223.13383	29.7
224.13699	1.4
235.08186	0.6
241.10794	3.1
241.39197	0.5
253.09322	3.2
327.15903	0.5
348.77048	0.5
371.76297	0.5
385.24075	0.5
403.24951	0.7
421.26517	0.5
459.18304	1.0
477.19739	2.5
639.33997	0.7
683.32788	100.0
684.33191	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	683.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
60.99010	0.9
60.99310	18.3
61.98833	0.7
69.62790	3.9
70.64974	0.6
71.01382	3.7
73.02926	1.0
83.01378	1.0
85.02954	2.4
85.81359	0.8
88.98808	100.0
89.02451	1.5
89.99172	0.7
93.03467	1.1
101.02419	1.6
109.03001	0.7
113.02468	1.1
116.92879	0.8
117.03469	2.8
119.03508	1.0
135.04544	1.6
137.02469	0.9
140.84937	0.6
161.02458	1.4
163.04010	0.9
173.02489	1.5
175.00334	3.1
191.05659	5.7
219.03008	1.7
278.21991	0.8
283.06000	1.3
293.04559	46.7
294.04871	3.2
311.05695	2.9
321.78430	0.6
329.06680	1.8
413.08759	18.1
414.09341	1.8
447.09552	0.8
507.30856	0.9
585.79871	0.7
593.15088	36.6
594.15137	3.8
639.24860	2.0
683.35583	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	681.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01378	13.1
61.98826	11.6
66.87119	0.9
71.01390	11.9
71.31831	1.7
72.99308	1.6
73.02934	2.3
77.34393	0.7
78.29553	0.7
83.01378	2.4
85.02953	3.6
87.00871	1.2
88.98823	1.1
89.02437	5.4
94.56958	0.7
95.01385	1.5
101.02443	6.0
113.02432	3.9
119.04984	0.7
120.22722	0.7
124.01587	0.9
125.02456	1.0
157.10962	0.7
187.16113	0.8
297.24344	0.8
309.24408	1.0
318.99365	1.0
327.25339	3.1
339.25412	6.6
357.26349	8.8
501.30676	8.7
519.31677	13.2
520.32129	1.6
558.15326	0.8
577.31647	1.2
680.22534	0.9
681.37006	100.0
682.37469	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	681.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23035	1.1
57.03432	3.6
58.00584	1.6
59.01379	39.6
61.98819	8.1
68.99783	1.4
69.90772	1.8
69.91128	5.5
71.01381	31.6
72.99306	8.1
73.02943	3.8
74.74214	1.2
75.00872	10.5
75.37948	1.2
83.01397	3.0
85.02950	20.7
87.00873	8.3
89.02440	11.9
91.14735	1.2
93.03453	1.5
95.01386	4.7
96.95975	3.5
99.00854	8.1
99.04523	11.2
101.02444	6.7
103.00365	2.5
107.08679	2.1
109.02945	1.7
113.02454	25.9
115.00387	3.4
116.92833	4.6
117.01896	2.5
119.03504	2.3
119.04969	1.6
123.04507	1.6
125.02412	1.3
129.01942	1.8
135.04463	1.9
135.32332	1.3
146.21364	1.2
146.91992	1.2
149.02318	1.6
161.02515	1.4
161.04578	1.6
173.04556	2.2
175.02441	2.6
189.12849	12.4
205.07117	1.6
207.13914	10.0
249.06113	10.3
251.12914	3.6
267.07230	29.8
325.16263	2.0
457.21252	1.4
483.18890	1.4
501.12234	2.0
501.19772	38.4
502.20032	3.4
505.23340	1.4
519.20703	3.0
537.32526	1.6
681.26025	100.0
682.26147	10.5
694.92828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
59.18900	0.6
61.52510	0.6
67.01886	3.1
69.03448	1.3
71.01383	3.2
71.51272	1.0
77.48852	0.7
78.95890	0.7
83.05045	0.9
85.02974	1.3
87.83559	0.6
89.02479	0.8
89.64115	0.6
93.03458	19.7
93.04025	1.3
102.89498	0.7
109.02946	1.2
111.04487	4.0
117.94152	0.7
122.60558	0.8
123.04534	2.6
135.04523	36.2
136.04904	1.2
137.02455	3.8
153.05568	2.8
155.03461	3.3
167.03519	1.6
173.04547	100.0
174.04895	3.1
178.78828	0.7
179.03491	2.0
191.05597	5.5
197.04535	3.2
309.11819	2.3
341.08737	6.8
353.08875	2.6
371.09827	40.0
372.10220	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	681.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
69.60550	0.5
70.01540	0.6
71.01388	2.6
71.51582	0.7
85.02948	0.8
89.02435	2.5
93.03474	1.6
101.02441	0.9
112.15327	0.6
113.02462	1.2
117.03469	19.1
119.03541	0.7
119.05033	8.2
133.06648	1.1
134.03749	17.7
137.02449	2.1
139.04016	0.9
145.02960	100.0
146.03363	3.0
149.06096	5.3
159.04463	0.7
161.04738	0.5
161.06087	1.9
163.02753	1.0
163.04022	11.5
170.40831	0.5
173.04549	6.4
177.05717	0.7
178.02701	9.9
179.65805	0.5
187.04005	5.0
191.05624	0.9
193.05061	38.8
194.05325	1.1
195.54729	0.5
205.05032	1.4
255.10257	2.5
265.07245	1.7
325.09286	31.5
326.09583	2.5
337.09399	1.5
343.08347	1.8
355.10406	5.2
362.61899	0.6
375.29547	0.7
414.19003	0.6
443.79761	0.6
467.34390	0.5
627.11194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47779	0.9
57.70609	0.9
59.01374	1.3
69.52985	2.3
69.53388	5.4
70.90047	1.0
71.01387	7.4
85.02969	1.4
85.05022	0.9
90.39209	0.9
93.03480	5.3
96.83125	0.9
108.02185	2.3
109.02973	1.3
115.00383	2.7
119.05029	58.4
120.05318	1.2
121.02942	1.4
122.03776	1.1
123.04527	1.4
131.05032	1.4
132.05803	2.8
133.06563	1.1
134.03741	36.6
135.04593	4.4
137.02455	4.3
145.06601	3.2
147.04485	5.8
148.05318	9.3
149.06093	9.9
160.05234	1.0
161.04787	1.4
161.06079	8.0
163.04005	29.3
165.03972	1.3
172.28864	0.9
173.04529	3.7
177.05553	12.3
178.02708	10.8
179.03424	1.6
182.59547	1.0
191.05644	2.7
193.05038	35.6
194.05414	1.8
197.06104	1.5
207.06612	5.8
225.05553	11.3
226.06339	72.9
227.06602	4.6
240.07898	9.0
241.08688	86.4
242.09050	5.4
253.08609	3.7
254.09467	9.3
254.11896	1.4
255.10033	1.3
267.10263	3.5
268.11230	1.0
269.11801	19.9
270.12241	1.1
283.09802	1.8
313.10822	28.6
314.11151	1.8
355.10236	1.0
357.09671	1.2
403.13953	1.7
433.79742	0.9
475.16086	3.6
519.14838	6.8
550.46747	1.0
681.20313	100.0
682.20642	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	680.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69241	0.2
59.01382	0.4
59.27073	0.2
61.32156	0.1
61.98832	100.0
62.80732	0.2
72.86320	0.2
77.10703	0.1
89.02476	0.2
97.06592	0.2
101.02454	0.2
125.02461	0.2
125.09734	1.2
126.10091	0.4
128.34619	0.1
157.08662	0.2
187.09843	0.8
188.10185	0.4
228.99051	0.2
259.91156	0.2
273.17209	0.2
295.52902	0.2
480.38193	0.2
680.18622	0.2
680.35822	1.6
681.35663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.32862	0.5
57.03439	1.7
58.00575	2.0
59.01380	39.2
61.07681	0.5
61.98833	4.5
62.70230	0.6
69.03445	1.8
71.01383	35.1
71.50925	0.7
72.73481	0.6
72.99300	3.1
73.02946	5.3
75.00859	0.7
78.95885	0.6
81.03449	1.6
83.01400	3.9
85.02953	7.1
87.00879	8.0
89.02446	30.2
91.03986	0.8
93.03445	0.9
95.01384	3.2
97.02941	5.7
99.00853	2.0
101.02442	29.2
102.02709	0.7
111.00911	0.9
111.04490	1.0
113.01714	1.1
113.02446	13.0
115.04029	1.1
119.03503	8.8
119.10286	0.5
121.02961	1.0
125.02449	11.7
128.63046	0.6
131.03482	1.3
133.05075	0.8
137.02379	0.8
139.04007	1.2
143.03493	4.9
149.04570	1.3
151.03889	0.7
157.05191	0.7
161.04555	6.7
167.03525	0.8
179.05603	6.1
192.41420	0.6
199.06065	0.8
217.07233	1.0
221.06639	1.6
225.04471	0.7
235.08226	12.8
236.08607	0.7
253.09225	3.0
255.23343	0.8
263.07669	1.4
281.24844	100.0
282.25198	7.2
287.07779	3.1
305.08667	4.0
323.09842	1.5
334.67120	0.6
397.13486	80.1
398.13745	5.5
415.14542	35.1
416.14896	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	679.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11460	4.2
59.01385	4.5
63.75857	4.7
66.36218	3.7
67.01878	6.1
69.61473	27.8
71.01349	6.9
85.02939	6.5
86.14948	4.8
93.03465	20.6
96.35728	4.2
98.48510	3.9
105.05347	3.6
109.82735	3.7
111.04465	4.3
119.05042	9.8
127.04008	4.8
134.03712	5.4
134.37775	4.8
135.04538	53.8
140.17160	4.1
155.03452	5.2
163.03949	5.3
173.04549	100.0
179.03513	62.2
191.05598	45.4
255.10254	9.8
343.08911	5.9
353.08807	55.4
354.09058	4.5
494.58740	4.5
505.13425	4.5
541.45178	4.5
628.20184	5.0
679.16772	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	679.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51424	0.6
57.03442	0.8
59.01371	2.8
67.01864	1.2
69.62396	4.2
71.01381	5.0
81.03475	1.1
83.05054	1.0
85.02950	14.6
87.00875	3.1
93.03458	12.0
100.77338	0.7
108.02159	3.4
109.02969	6.1
111.04518	1.6
115.00377	6.2
119.04993	2.3
122.03738	1.5
127.03965	1.8
133.02998	0.8
134.03728	2.5
135.04532	14.7
137.02428	0.9
146.03688	0.8
148.05295	1.8
148.95802	0.9
149.06039	0.9
155.03464	1.3
161.02409	1.0
163.04085	0.8
173.04538	17.0
179.03502	4.0
191.05609	100.0
192.05948	2.9
193.04938	1.2
218.41917	0.8
225.05559	1.3
226.06349	65.0
227.07089	40.1
228.07449	2.2
253.08760	1.8
255.10257	31.8
256.10602	1.6
299.09277	4.5
325.07138	1.7
389.12408	79.6
390.12701	7.9
444.00656	0.8
461.14716	1.7
487.12445	14.5
488.12762	1.7
505.13556	16.8
506.14035	1.4
679.18475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28765	0.9
54.11226	0.9
54.34930	0.9
54.80575	1.0
58.31584	1.1
59.01379	6.1
59.20858	0.9
60.31857	1.0
67.01893	1.4
70.00860	4.4
71.01378	6.4
72.99316	1.3
85.02960	15.4
87.00874	5.3
89.03982	1.3
93.03457	14.3
103.00363	1.7
108.02178	3.0
109.02962	5.5
111.04510	3.5
112.98764	1.1
115.00402	6.8
116.18689	0.9
117.03472	1.9
119.05013	3.9
122.03751	1.1
127.03983	3.2
134.03745	32.3
135.04550	16.3
137.02438	2.0
147.04503	1.2
149.00922	18.6
149.06088	2.8
155.03516	1.0
161.02325	1.5
163.03986	1.8
173.04561	17.6
178.02718	1.0
179.03510	8.2
184.33211	1.1
184.75806	1.0
191.05615	100.0
192.05936	2.9
193.05061	38.3
225.47035	1.0
226.06364	69.3
227.07114	40.4
237.09189	1.2
253.08647	1.8
255.10278	35.1
256.10611	2.2
299.09280	6.6
325.05560	10.0
329.71771	1.1
353.08823	1.1
389.12442	77.3
390.12750	5.2
461.14423	2.4
487.12466	12.3
505.13556	17.8
506.13263	1.9
679.17914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83918	1.0
59.01382	10.7
67.01895	2.0
71.01373	3.3
71.42760	1.5
85.02946	6.6
87.00880	7.6
93.03448	9.0
103.00385	6.1
108.02168	3.3
109.02941	5.7
110.02566	0.9
111.04517	1.4
112.98808	13.5
115.00369	3.8
117.03432	4.6
119.05039	1.7
122.03722	1.5
127.04015	1.6
129.70453	1.2
130.99890	2.0
134.03741	54.4
135.04514	5.9
137.02451	2.1
149.00931	2.8
149.06076	6.9
155.03447	1.1
158.28700	0.9
163.04001	2.3
173.04535	19.2
178.02701	4.9
179.03441	2.4
191.05614	42.8
193.05040	100.0
194.05432	4.1
207.23042	1.0
226.06371	10.3
227.07118	5.7
253.08586	2.4
255.10266	22.7
299.09262	2.8
325.05582	26.9
343.23953	1.0
353.08740	2.2
389.12506	9.2
417.15543	1.0
449.35052	1.0
457.55676	1.0
461.14609	1.9
487.12210	2.6
505.13516	8.7
585.34192	1.1
629.87531	1.1
635.19324	1.6
679.18756	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	677.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.4
59.01377	0.3
69.91235	0.8
71.01379	0.3
72.04579	0.2
81.03456	7.4
82.03762	0.2
83.05026	18.8
84.05339	0.3
88.01616	0.1
100.07668	0.3
107.06168	0.3
108.04559	0.5
123.29645	0.1
125.07232	0.9
125.15688	0.2
126.05595	0.4
135.04446	0.2
137.02507	0.2
142.81119	0.1
143.08276	0.8
157.13576	0.2
181.24670	0.1
207.15025	1.5
224.17645	2.6
225.16080	12.8
226.16400	0.7
242.18802	0.8
283.97443	0.2
290.22375	0.3
291.20844	0.2
306.07455	0.2
309.21851	0.8
324.26471	0.8
333.00092	0.2
333.22818	0.7
341.29160	1.2
349.84671	0.2
351.24182	0.4
356.01343	0.2
367.27164	1.3
399.88818	0.2
407.33664	0.2
433.31891	1.3
450.34503	1.7
451.32877	6.0
452.32925	0.5
468.35901	0.2
550.43646	0.7
559.39789	0.4
565.44482	0.5
593.43915	0.6
659.48804	1.4
677.49664	100.0
678.49951	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	677.4264
Annotation	Kahiricoside III
Peak:m/z	Relative Intensity
55.01890	0.6
55.35873	0.6
57.03441	1.0
58.00586	0.7
59.01379	100.0
61.98834	11.5
69.78203	1.2
69.78608	2.4
71.01382	14.9
72.99312	1.4
73.02951	4.0
83.01396	2.1
83.19023	0.6
83.37728	0.5
84.02170	3.7
85.02951	6.0
87.00880	1.5
89.02438	5.5
95.01411	2.2
97.02959	0.8
99.00883	1.1
101.02451	8.6
113.02453	8.9
119.03513	1.7
143.03555	0.7
161.04536	1.7
211.13460	1.7
233.18005	0.8
378.84738	0.6
406.19489	0.6
421.97174	0.6
455.35123	0.9
473.36392	0.8
599.39697	3.2
617.40527	22.9
618.40997	4.1
635.41547	10.5
636.42358	1.8
659.41638	7.6
660.42059	1.1
677.42847	10.9
678.43268	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	677.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57561	0.7
50.87503	0.6
55.01865	1.1
58.00583	1.4
59.01380	40.1
61.86880	0.6
61.98818	4.7
69.03443	2.1
69.45281	5.0
71.01382	34.4
72.99304	3.6
73.02946	5.6
75.00862	0.9
83.01394	4.4
85.02947	6.6
87.00864	9.3
89.02441	31.9
90.02789	0.8
91.03991	1.2
95.01379	3.3
97.02972	5.3
99.00862	2.8
101.02442	31.1
103.29090	0.7
109.02959	1.0
113.02452	15.6
119.03495	9.5
125.02452	12.4
131.03516	1.3
133.05084	1.3
143.03502	5.2
151.47130	0.6
161.04535	6.9
167.03491	0.9
179.05595	7.3
185.04388	0.8
206.48817	0.6
217.07121	1.1
221.06749	2.1
235.08223	13.6
253.09253	3.3
263.07736	1.5
277.09207	1.2
279.23273	100.0
280.23721	7.0
287.07687	3.5
305.08716	3.4
323.09857	1.8
328.72006	0.7
379.12256	0.8
397.13486	81.5
398.14111	4.7
415.14523	36.0
416.14990	2.0
528.57233	0.8
602.16565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74823	1.1
59.01377	9.3
61.98833	12.1
62.95309	1.0
69.03440	4.4
69.72372	1.1
71.01375	5.0
71.05005	1.7
85.02918	1.1
88.98788	1.7
89.02428	2.2
98.20683	2.7
101.02438	5.5
113.02449	3.1
113.92435	1.2
123.08150	1.2
125.02393	1.4
125.09739	2.6
135.92859	1.1
151.11255	2.0
157.08687	4.0
161.09705	3.2
171.10266	2.1
179.10789	7.8
182.42064	1.1
183.14000	1.1
185.11887	2.6
186.12225	1.5
197.11830	62.5
198.12126	4.9
209.11790	1.5
217.14442	58.4
218.14771	1.5
227.12813	1.5
235.08160	1.4
241.10812	1.8
241.14473	4.5
253.09375	3.1
259.15466	1.9
260.15814	1.5
477.20071	2.9
617.55139	1.2
648.19556	1.2
669.70203	1.3
671.87335	1.2
677.33813	100.0
678.34186	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	677.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41693	5.2
59.01375	18.9
61.98827	100.0
69.67237	33.3
70.48642	5.2
70.54472	4.6
73.05688	4.5
77.37016	4.8
79.22581	5.1
98.19991	9.5
101.72502	5.5
108.71736	5.0
113.02396	5.5
143.70947	5.5
155.58955	6.0
198.93852	4.9
199.22105	5.5
211.13397	20.2
232.39633	5.2
252.10385	5.7
274.82828	6.1
276.51828	5.8
305.22412	5.9
588.84991	5.0
623.34222	8.0
677.32410	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	677.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45715	2.2
58.68528	1.9
59.01383	20.9
61.59702	2.1
67.01923	3.0
67.14278	2.0
68.58948	2.6
69.86511	7.6
69.96856	2.0
71.01381	14.5
73.07215	2.1
81.03459	2.0
85.02958	7.9
89.02451	10.9
93.03455	19.8
98.20631	2.9
101.02441	5.5
109.02920	2.6
111.04507	8.2
113.02417	2.8
119.03542	2.4
121.22490	1.9
133.02982	2.3
134.03792	2.4
135.04527	72.8
137.02461	6.6
151.18286	2.2
155.03540	4.1
161.02534	3.0
173.04553	100.0
174.04889	4.1
179.03496	66.6
180.03845	3.2
191.05626	39.3
323.13461	50.6
353.08762	89.6
353.13113	4.8
354.08972	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	677.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.5
59.01386	32.6
67.01886	3.4
71.01383	21.3
71.42922	2.4
73.02905	1.2
85.02955	8.3
87.00882	1.9
89.02452	22.8
93.03463	19.2
95.01378	2.3
96.96022	13.4
98.95591	9.1
98.96458	1.5
101.02448	13.3
107.50326	1.4
109.02926	1.6
111.04549	2.5
113.02449	5.8
119.03490	7.0
125.02457	2.1
133.02969	2.2
134.03751	1.8
135.04539	50.8
137.02457	3.9
155.03497	4.1
161.02451	2.9
173.04553	70.6
174.04843	1.6
179.03516	45.7
191.05630	35.9
323.13504	100.0
324.13806	5.0
353.08804	59.8
354.08939	4.0
459.12943	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	676.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66888	1.8
58.02991	10.4
58.61454	1.7
59.01388	2.2
66.18916	2.0
71.01396	3.0
71.34981	3.2
72.97541	2.2
73.64606	1.8
74.02470	30.1
85.02964	2.5
86.02480	8.5
87.05623	3.9
88.00890	1.8
90.98592	14.7
93.03461	5.9
96.96011	40.0
97.04048	2.6
99.05648	21.3
101.07204	3.3
102.05646	4.7
109.04072	3.6
115.83404	1.8
116.01768	4.0
125.02376	3.4
125.03562	5.4
127.05103	5.6
128.02582	3.5
128.03539	69.6
133.02966	3.2
135.04546	4.9
135.05652	7.5
137.02451	7.7
143.04622	100.0
145.06201	2.6
146.04578	11.5
153.06741	3.2
160.00731	6.6
166.09901	3.6
167.01707	10.3
167.04643	4.6
167.08253	3.6
171.04109	6.2
171.84294	2.0
173.04526	22.6
179.04677	17.5
185.05641	3.7
191.05574	19.4
210.08836	24.1
211.00410	2.8
217.02864	17.8
232.47290	2.4
254.07837	25.9
255.08369	2.7
265.03732	3.4
272.08865	82.2
273.09106	3.8
289.07080	2.2
346.07129	4.7
348.08728	3.3
353.08749	2.3
364.08188	64.5
365.08548	3.9
366.49429	2.1
403.06955	4.5
426.09299	3.0
440.11307	8.5
484.10391	4.9
502.11185	13.2
520.12518	4.3
538.13477	76.3
539.13715	6.8
578.13458	3.7
601.26349	2.1
658.15125	4.8
676.16718	20.0
677.17322	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	676.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66888	1.8
58.02991	10.4
58.61454	1.7
59.01388	2.2
66.18916	2.0
71.01396	3.0
71.34981	3.2
72.97541	2.2
73.64606	1.8
74.02470	30.1
85.02964	2.5
86.02480	8.5
87.05623	3.9
88.00890	1.8
90.98592	14.7
93.03461	5.9
96.96011	40.0
97.04048	2.6
99.05648	21.3
101.07204	3.3
102.05646	4.7
109.04072	3.6
115.83404	1.8
116.01768	4.0
125.02376	3.4
125.03562	5.4
127.05103	5.6
128.02582	3.5
128.03539	69.6
133.02966	3.2
135.04546	4.9
135.05652	7.5
137.02451	7.7
143.04622	100.0
145.06201	2.6
146.04578	11.5
153.06741	3.2
160.00731	6.6
166.09901	3.6
167.01707	10.3
167.04643	4.6
167.08253	3.6
171.04109	6.2
171.84294	2.0
173.04526	22.6
179.04677	17.5
185.05641	3.7
191.05574	19.4
210.08836	24.1
211.00410	2.8
217.02864	17.8
232.47290	2.4
254.07837	25.9
255.08369	2.7
265.03732	3.4
272.08865	82.2
273.09106	3.8
289.07080	2.2
346.07129	4.7
348.08728	3.3
353.08749	2.3
364.08188	64.5
365.08548	3.9
366.49429	2.1
403.06955	4.5
426.09299	3.0
440.11307	8.5
484.10391	4.9
502.11185	13.2
520.12518	4.3
538.13477	76.3
539.13715	6.8
578.13458	3.7
601.26349	2.1
658.15125	4.8
676.16718	20.0
677.17322	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	676.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78101	1.0
54.83292	0.9
59.01379	3.8
61.98829	42.8
67.01865	0.9
70.81262	2.2
71.01394	5.3
73.02968	1.0
83.01400	0.9
85.02973	1.7
89.02435	1.3
93.03476	1.5
95.05032	2.0
95.39320	1.0
101.02435	1.9
108.02193	2.4
109.02949	43.3
110.03271	1.2
113.02466	1.9
118.38472	0.9
119.05002	1.2
121.02958	1.4
122.03758	1.0
122.05931	0.9
123.04523	19.5
125.02460	3.1
128.03528	2.0
133.02943	2.1
134.03754	1.1
135.04504	4.1
145.02979	1.3
149.02425	1.8
151.04004	13.4
161.02432	6.9
161.04555	1.4
163.03978	1.3
163.71896	1.0
165.01927	1.0
171.10248	1.1
175.03958	1.9
177.01921	10.6
187.03976	1.3
189.01930	17.7
190.02673	3.2
191.03503	3.5
191.05554	1.2
193.05092	1.8
197.02380	1.8
199.59180	1.1
202.02713	1.8
202.36885	1.0
203.03473	4.6
213.05487	1.2
214.02647	1.7
215.03484	16.2
216.00578	2.3
217.01384	16.2
217.04959	1.8
218.01959	2.0
219.02963	5.1
221.81352	0.9
229.01413	4.1
231.02972	4.7
234.01694	2.6
239.03545	3.2
242.02162	12.9
243.02956	9.7
245.04521	1.9
255.02956	4.0
257.04633	1.6
269.00900	10.2
274.01141	8.6
281.04492	1.9
284.03186	4.3
289.07150	3.0
290.07568	0.9
297.04022	1.7
303.37616	1.0
306.07523	2.9
307.06201	2.2
309.03934	6.0
311.05594	1.2
323.05627	5.4
324.06406	1.5
337.03525	1.6
339.05106	1.3
341.06616	50.3
342.07083	3.8
349.06958	2.2
351.05093	5.9
365.06451	1.4
367.08286	2.6
379.04492	5.6
393.06128	47.9
394.06564	5.5
435.43137	1.0
443.12085	1.3
451.10391	10.0
461.08774	5.6
503.09827	98.8
504.10080	10.7
514.19470	1.1
613.13477	100.0
614.13788	15.1
639.56281	0.9
641.38837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	24.8
61.98833	100.0
69.29890	62.4
70.67005	7.3
71.01389	21.6
79.08928	6.1
85.50445	5.2
88.98837	7.0
95.01311	7.0
98.19894	8.8
101.02452	6.9
103.44785	5.9
103.82393	6.2
106.80688	5.6
109.02945	20.7
113.02409	10.9
123.04553	17.1
125.02441	12.0
125.09689	9.5
151.04044	12.6
161.02454	16.1
171.10306	16.1
184.16748	7.1
195.10236	9.6
197.11786	6.9
198.12178	6.4
203.03343	7.8
209.11783	36.5
210.12163	20.4
211.12265	6.7
225.11237	8.4
227.13034	16.6
229.13121	8.4
234.97749	6.4
274.01263	6.7
341.06702	27.4
393.06155	21.8
477.30688	17.2
478.31207	13.6
503.09421	40.8
613.13440	57.4
657.30933	9.7
675.31903	10.6
676.32556	15.3
677.34052	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05637	0.3
51.87642	0.3
55.01877	2.0
57.03447	1.3
58.00600	2.0
58.09003	0.3
58.86543	0.3
59.01381	52.3
61.98828	0.4
67.01859	0.4
68.99815	0.4
69.03452	2.8
69.37103	0.5
69.37505	1.8
71.01382	45.0
72.01728	0.5
72.99302	3.1
73.02946	7.3
75.00877	1.0
81.03455	2.2
83.01387	5.4
83.05044	0.6
85.02954	9.7
86.00108	0.4
87.00877	10.8
89.02448	38.8
90.02831	0.4
91.03984	0.6
95.01393	3.6
97.02951	7.7
99.00896	2.6
99.04510	0.8
101.02446	36.3
101.07937	0.3
109.02981	0.7
111.00878	0.8
111.04533	1.1
113.02454	17.5
115.04015	1.0
119.03504	12.8
121.02974	0.5
123.00871	0.3
123.04538	0.4
124.01697	0.5
125.02454	14.7
126.02798	0.6
127.03990	0.5
127.07648	0.4
129.02013	0.4
131.03500	2.0
133.05098	1.8
139.04007	1.0
141.01901	0.7
143.03503	7.8
148.67999	0.3
149.04561	1.3
151.03952	0.3
157.05063	0.5
161.04572	8.1
167.03476	0.8
169.04996	0.7
171.03008	0.5
179.05614	7.6
181.05043	0.4
185.04631	1.1
199.06123	0.8
203.05644	0.5
217.07169	1.4
219.04944	0.4
221.06660	3.1
233.22931	0.7
235.08235	16.0
236.08623	0.5
245.06635	1.0
253.09242	4.6
259.20383	0.5
263.07727	2.2
269.06610	0.4
275.19928	0.4
277.09311	1.4
277.21713	100.0
278.22052	8.2
280.88440	0.3
287.07745	3.4
291.23386	0.5
305.08789	4.1
319.22885	0.4
323.09665	2.4
361.11185	0.6
379.12469	1.2
397.13495	80.9
398.13812	5.1
415.14560	37.2
416.14935	2.6
525.90570	0.3
549.95306	0.4
603.16547	0.4
632.63739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63398	0.2
55.01879	1.9
57.03456	1.3
58.00602	2.1
58.11056	0.2
59.01380	49.7
68.99818	0.4
69.03455	2.5
71.01381	38.6
72.99308	2.7
73.02943	6.8
75.00874	0.7
81.03445	1.5
83.01397	4.3
83.05022	0.5
85.02952	8.4
87.00876	9.7
87.04562	0.4
89.02444	36.7
91.04026	0.8
93.03477	0.4
95.01395	3.0
97.02953	7.3
98.19839	0.5
99.00867	2.1
99.04545	0.7
101.02443	33.0
102.02760	0.4
103.00349	0.4
103.03989	0.3
109.02962	0.8
111.00903	0.5
111.04521	1.0
113.02449	16.1
115.04015	0.7
119.03498	10.8
121.02978	0.5
123.00908	0.5
124.01630	0.3
125.02448	13.0
126.02801	0.4
127.04010	0.5
131.03491	2.1
133.05086	1.1
139.04021	0.7
141.01961	0.6
142.02658	0.3
143.03499	6.9
149.04561	0.8
157.05052	0.4
161.04555	7.7
167.03525	0.8
171.02997	0.3
175.94917	0.3
179.05615	7.9
185.04594	1.0
199.06160	0.7
203.05678	0.5
217.07149	1.7
219.05154	0.3
221.06628	2.9
235.08212	15.4
236.08563	0.7
245.06654	1.0
253.09323	3.6
259.20615	0.8
263.07599	1.5
275.20050	0.6
277.09378	1.0
277.21704	100.0
278.22079	6.6
287.07700	3.5
291.23166	0.3
304.20926	0.3
305.08725	4.3
323.09827	2.5
361.11505	0.7
379.12427	1.2
386.64349	0.3
397.13486	84.5
398.13858	4.9
398.18655	0.5
415.14560	37.4
416.14828	2.4
538.31323	0.3
603.16827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.3
59.01365	12.4
61.98829	29.8
71.01376	12.0
73.86114	3.7
87.00851	3.7
89.02430	5.8
101.02431	9.8
141.42531	3.6
151.84250	3.6
161.04553	5.2
165.12834	5.8
171.10294	5.1
183.13882	45.6
185.11809	42.8
195.10255	6.9
197.11858	100.0
198.12198	4.1
209.11874	35.2
210.12231	7.0
211.13423	31.9
213.11293	10.0
227.12854	23.4
228.13254	4.2
228.95319	4.7
253.09294	17.5
259.15494	46.9
273.54120	4.6
363.09662	4.7
433.21613	4.0
621.32648	11.7
625.22974	6.5
631.32935	12.7
639.33710	6.4
643.33124	32.5
657.34711	21.8
675.35425	39.4
676.34088	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	675.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71343	0.9
57.03453	1.4
66.39613	0.7
69.03435	0.8
69.46934	4.9
69.90131	0.8
72.59653	0.8
81.03465	2.9
83.01388	2.7
86.13206	0.9
93.03448	2.8
95.05036	3.1
97.02955	5.0
109.02948	23.2
110.03326	1.4
121.02951	4.4
123.04527	17.2
125.02446	12.8
126.21129	0.8
135.04517	2.3
137.02440	9.8
138.02980	0.9
139.04001	3.4
139.91620	0.8
143.05055	1.2
145.97713	0.8
149.02452	10.0
150.03265	1.3
151.04015	9.3
152.01158	1.6
159.04547	2.4
160.05348	1.6
161.02470	1.0
161.06071	5.4
162.03181	1.4
163.03972	3.0
164.01141	4.1
164.04759	6.0
165.01944	4.1
167.03487	2.7
169.05003	0.9
173.04544	1.0
173.06134	1.2
175.03967	2.2
175.07607	1.5
179.03494	6.6
179.07080	3.1
185.06168	0.9
187.04024	4.9
188.04807	4.9
191.05618	4.7
193.01443	4.8
202.06328	3.1
203.07108	11.9
205.05055	8.1
208.03798	10.9
221.08159	3.8
223.06105	27.3
227.07140	2.5
231.03114	1.1
245.08134	18.3
260.74637	0.9
265.08725	1.0
271.06122	1.1
289.07169	100.0
290.07446	5.1
303.20795	1.0
327.08713	7.9
328.09415	1.3
385.11349	6.9
413.13791	0.8
501.13806	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	675.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11646	0.9
54.44220	0.9
55.82994	1.0
57.03445	13.4
59.01364	1.3
61.56037	0.8
61.98819	4.7
65.47877	0.9
69.03454	1.1
69.16129	5.4
69.16561	4.5
74.02476	1.8
81.03447	2.1
83.01367	5.6
93.03444	1.1
95.05013	3.4
97.02939	3.3
97.94981	1.0
108.02173	1.5
109.02949	20.8
109.15574	1.1
117.03492	1.8
119.46465	1.0
121.02963	2.3
122.03736	1.1
123.04528	13.3
125.02444	100.0
126.02780	2.7
133.02974	2.7
135.04535	2.1
135.08145	3.1
137.02451	18.2
138.03131	1.1
139.04010	2.7
143.04628	2.3
147.04553	1.2
149.02425	3.3
150.03134	1.2
151.04044	11.1
159.04489	3.3
161.02444	20.1
161.06056	3.3
162.03186	3.0
163.03999	3.1
164.01123	3.4
165.01944	6.1
167.03394	1.3
175.03984	6.5
176.01131	1.5
177.01932	7.6
177.05339	1.2
179.03439	3.2
179.07124	17.3
185.05936	1.7
187.04077	4.8
188.04713	3.8
189.01962	3.4
190.02628	1.2
191.07140	2.8
199.04024	1.1
201.05540	1.4
203.03438	2.5
203.07094	8.0
205.01405	2.5
205.05035	6.4
215.03482	3.0
217.01421	1.9
217.05042	1.4
219.02893	1.2
219.06587	7.5
221.08302	1.4
223.09735	29.8
224.10052	1.8
225.05464	1.1
227.07048	1.0
229.04988	2.0
229.08673	1.1
231.03027	1.3
242.02310	1.2
243.02869	2.0
245.04468	4.0
245.08177	12.7
255.02980	1.9
256.03699	1.9
262.08530	1.7
263.09033	1.0
272.08929	2.3
281.04660	1.4
287.05576	5.1
289.07166	60.5
290.07498	4.0
297.07834	1.1
299.05469	3.5
299.08829	1.2
306.07697	8.7
309.07574	1.6
329.06461	1.5
332.55322	1.1
339.08441	2.3
341.06729	6.5
341.10272	1.7
343.11703	1.9
371.11221	4.2
372.11963	1.2
385.12894	21.1
386.13193	1.8
393.06140	4.1
407.07639	10.3
451.10342	12.2
452.10300	1.9
461.12198	2.3
503.09836	12.8
505.08017	1.9
505.15033	19.8
506.15277	3.8
523.16083	25.3
524.16229	3.6
559.12384	1.9
613.13348	10.5
675.20978	11.3
676.20868	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	675.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.6
61.98831	1.5
63.01701	0.8
65.38832	0.8
68.22034	0.7
69.03467	1.0
69.34835	7.3
71.69127	0.8
76.28644	0.8
81.03465	2.6
83.01379	5.1
93.03481	1.6
95.05034	2.5
97.02961	4.1
108.02269	1.0
109.02962	17.0
121.02969	3.8
122.03750	2.0
123.04539	11.4
125.02449	100.0
126.02785	2.8
131.69002	0.8
133.02962	3.6
135.04533	2.6
135.08182	3.2
137.02460	17.0
139.04024	2.7
145.02982	1.3
146.03746	1.9
149.02461	3.9
150.03220	1.9
151.04012	9.1
159.04504	2.1
161.02438	18.3
161.06100	5.0
162.03229	2.6
163.00377	1.6
163.03999	4.1
164.01167	3.6
164.02512	0.8
165.01926	4.9
167.03616	0.9
174.03114	1.3
175.03996	5.5
175.07565	1.6
177.01930	3.9
179.03571	4.4
179.07126	17.7
185.06059	0.9
187.04047	6.3
188.04723	3.7
189.01927	1.3
190.02710	1.1
191.05623	1.0
191.07179	3.0
199.07515	1.2
201.02029	1.0
201.05600	1.9
202.06342	1.7
203.03459	1.1
203.07132	9.0
205.01407	2.3
205.05075	6.2
212.04648	1.1
215.03578	1.2
217.05043	1.2
218.05960	1.1
219.06622	8.2
221.08105	2.0
223.09744	30.1
224.10179	1.4
227.07251	1.4
229.05054	2.4
229.08751	1.3
231.06563	1.6
245.04539	2.0
245.08176	12.5
247.06042	1.5
255.02939	1.2
256.03787	1.2
262.08408	2.6
271.06219	1.2
281.04568	2.2
285.11252	1.2
287.05667	6.2
289.07178	63.0
290.07458	3.1
296.61707	0.9
299.05673	4.9
323.09549	1.3
329.06769	1.4
339.08640	2.3
341.10364	1.6
343.11884	2.6
353.10440	1.5
371.11288	5.9
381.09894	1.2
385.12900	20.2
386.13257	2.1
393.41437	1.0
407.07715	10.1
408.07642	1.2
451.10455	11.5
461.12262	1.7
505.15005	24.0
506.15424	3.8
523.16138	27.3
524.16583	4.3
577.13062	1.1
675.20477	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	675.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
60.03375	0.7
67.01895	3.4
67.64919	0.7
69.03439	1.0
69.86488	3.3
71.01389	2.4
85.02971	2.2
85.40475	0.7
89.37784	0.6
93.03458	22.7
94.03817	0.8
96.05280	0.6
96.96024	3.5
98.20623	1.4
109.02968	0.8
111.00942	0.7
111.04506	4.0
119.05032	17.4
137.02452	3.5
155.03447	3.7
163.03999	13.6
173.04543	100.0
174.04852	2.3
182.78320	0.8
191.05614	12.1
191.81110	0.8
271.73465	0.7
271.76315	0.8
278.11353	0.6
327.08762	2.1
337.09262	35.9
338.09735	2.4
342.55478	0.9
517.55200	0.8
564.31268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
57.30311	0.2
59.01382	1.5
61.98819	0.4
67.01894	0.5
68.60400	0.2
69.03440	0.3
71.01390	1.1
71.51892	0.3
71.63512	0.3
73.02972	0.3
73.62330	0.2
81.03461	0.4
83.01392	0.3
83.05044	0.4
85.02948	7.7
87.00877	1.7
93.03465	8.0
94.03813	0.3
96.95990	0.3
96.99312	0.5
97.02960	0.2
109.02974	1.5
111.04534	1.6
115.00394	0.4
117.03493	0.3
119.05024	6.8
121.02959	0.7
123.04507	0.7
125.02454	1.3
127.04029	1.9
129.02045	0.2
130.04205	0.2
131.05023	0.7
133.02950	0.9
135.04500	0.5
137.02467	1.8
143.05026	3.1
145.02977	0.6
149.02414	0.3
151.04004	0.4
155.03540	0.8
161.02475	0.8
163.04002	7.3
165.01872	0.4
166.84760	0.2
171.03043	0.4
171.04465	0.3
173.04550	5.1
174.05014	0.3
175.03984	0.4
177.01942	0.4
189.01784	0.6
191.05614	100.0
192.05952	2.8
201.05550	0.5
211.07672	1.9
221.09738	0.6
235.07635	0.5
237.09221	0.8
245.08296	0.3
259.06149	0.5
265.08667	4.1
266.09064	0.4
283.09741	0.9
287.05618	1.2
289.07147	2.1
309.07605	1.6
327.08737	29.5
328.09109	1.8
367.70200	0.2
501.13895	3.5
502.14569	0.4
675.19275	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	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03416	0.2
58.00592	0.2
59.01374	2.7
61.98824	1.3
69.03461	0.3
70.94181	0.2
71.01378	2.0
71.05025	0.2
72.99281	0.2
73.02952	0.5
80.02683	1.0
81.03454	0.9
83.01398	0.4
83.05024	4.6
84.02169	0.8
84.59575	0.2
85.02947	0.7
87.00872	0.4
89.02444	1.9
93.03474	0.2
95.01377	0.2
95.05028	0.6
97.06559	0.2
101.02435	1.8
109.06570	0.3
113.02448	1.2
119.03481	0.5
125.02397	0.3
125.06084	0.5
125.09716	0.6
127.01274	0.2
132.49353	0.2
132.81667	0.2
135.08121	0.9
145.05092	0.3
147.11841	0.3
148.80701	0.2
149.09668	0.2
151.04057	0.2
161.04544	0.9
161.09557	0.2
163.11296	3.4
165.12828	2.1
166.13193	0.3
169.12344	0.3
171.10251	3.3
177.09457	0.2
179.05627	0.4
181.12343	0.7
183.13933	0.3
185.11813	0.6
191.10789	0.8
195.10313	1.2
197.11783	0.8
199.13475	0.9
201.11197	0.2
207.10196	0.3
209.11813	100.0
210.12149	4.5
211.13387	0.5
213.11256	0.2
215.12889	0.8
221.11852	0.6
225.11284	0.4
227.12872	15.4
228.13194	0.8
235.08182	1.7
247.13365	1.3
253.09273	6.2
265.14499	0.6
289.07068	0.2
401.23370	0.3
419.24454	0.5
445.20651	0.6
463.21579	0.6
520.46851	0.2
611.30511	0.3
637.32349	0.9
655.32922	0.8
668.71490	0.2
673.31244	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	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03453	0.7
59.01382	4.5
61.98827	1.0
69.78010	0.4
70.52575	1.2
71.01388	3.9
73.02951	0.8
76.55477	0.3
83.01347	0.8
85.02949	1.5
87.00872	1.0
89.02437	1.8
90.24057	0.3
97.06625	0.4
101.02442	3.0
111.08160	1.1
113.02451	1.9
119.03493	0.7
143.03433	0.4
161.04539	0.9
163.11287	0.5
165.12839	9.3
166.13257	0.5
181.92162	0.3
183.13890	100.0
184.14235	4.3
209.11798	4.1
211.13358	0.7
227.12878	6.0
235.08229	1.3
253.09293	2.6
356.84491	0.4
445.20792	1.3
463.21835	6.0
511.28476	0.7
524.50244	0.4
550.17218	0.4
611.33649	0.4
615.75616	0.4
629.35376	5.9
629.45111	0.6
630.35602	1.0
655.33459	4.5
656.33832	0.5
673.34338	62.9
674.34778	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	673.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.2
59.01383	18.6
61.98829	24.1
63.91484	1.8
69.03445	3.5
69.49014	10.3
71.01386	16.0
72.99307	2.1
73.02935	3.5
73.86512	1.6
78.50891	1.7
81.52191	1.7
83.01389	3.8
83.05022	4.7
85.02943	2.5
85.97513	1.6
87.00864	2.9
89.02430	7.6
95.01343	1.8
95.04987	2.9
97.30481	1.5
101.02429	10.8
113.02423	6.7
119.03506	1.9
121.02880	2.0
125.02446	3.6
125.09699	5.7
132.54256	1.8
139.03899	2.0
139.07658	2.3
151.03979	2.0
151.11229	4.9
153.12914	2.4
161.02359	3.0
161.04541	3.1
163.11266	6.3
165.12755	3.5
167.10701	3.2
169.12350	2.8
169.20126	2.0
171.08972	2.0
171.10220	9.6
171.13895	1.8
179.10757	4.1
181.12355	3.9
185.11827	34.7
195.10255	15.3
197.11816	51.1
199.13420	9.4
205.04985	1.9
207.10280	3.4
209.11816	86.2
210.12135	3.4
211.13379	3.8
213.11336	14.1
218.12860	1.8
225.11287	8.5
227.12886	75.7
228.13176	3.3
235.08148	6.3
239.12929	2.1
241.10814	4.2
247.13110	2.2
253.09254	14.4
289.07251	2.9
379.18115	2.6
401.22894	2.8
415.10324	1.8
419.24118	2.6
449.20041	3.8
463.21555	6.1
627.29987	2.3
632.26764	2.0
637.32477	5.7
655.32434	8.5
673.30750	100.0
674.30719	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	673.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53273	0.5
52.22742	0.5
54.25777	0.6
55.01878	0.6
57.03438	1.5
59.01382	5.8
61.98835	7.2
69.03455	2.5
71.01386	7.4
71.05046	1.0
72.99305	0.9
73.02948	1.7
80.02716	1.1
81.03455	2.0
82.75353	0.5
83.05022	5.0
85.02957	2.1
87.00880	1.6
89.02451	4.1
95.05003	0.7
97.06586	1.1
98.20766	1.0
98.34365	0.6
101.02448	4.3
104.25761	0.6
108.02179	0.5
109.02930	1.0
111.04591	0.5
113.02457	3.3
119.03495	1.3
121.03034	0.7
123.04523	1.3
123.08178	0.6
125.02413	1.3
125.06130	0.8
125.09713	1.7
135.04517	0.8
135.08170	1.5
137.02419	0.7
139.03923	0.7
143.03502	0.9
145.28871	0.6
149.09741	1.0
151.03955	0.8
151.07635	0.6
151.11305	2.9
151.51372	0.6
161.02513	0.9
161.04550	2.3
161.09750	1.6
163.11305	3.7
165.12848	2.5
167.10764	0.6
171.10205	3.6
177.09224	2.1
179.10785	3.5
181.12323	0.8
185.11824	1.1
190.02637	0.6
195.08449	1.1
195.10257	20.3
196.10483	0.7
197.11821	26.3
199.13445	1.7
201.11356	1.1
209.11832	100.0
210.12192	3.8
213.11261	0.7
225.11307	0.9
227.12898	26.0
228.13138	0.9
235.08275	2.6
241.10803	2.0
243.11383	0.8
253.09293	7.2
259.15500	3.0
265.14545	1.0
283.06061	0.6
289.07205	0.9
401.23361	0.6
419.24454	0.8
445.20535	1.2
446.93234	0.6
463.21817	1.4
467.33844	0.9
477.19772	1.0
501.08350	0.9
511.35922	0.8
611.11902	1.3
619.48352	0.6
637.32129	2.2
655.29651	21.9
656.30438	2.3
672.40540	0.7
673.30957	19.2
673.41467	4.4
674.31372	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	673.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.6
57.84423	3.4
59.01388	19.1
61.98825	33.1
66.02469	3.3
69.03468	5.0
71.01378	10.6
75.11734	3.9
78.95885	4.6
89.02438	7.9
101.02428	7.8
108.38464	3.4
118.80495	3.5
123.08144	3.5
125.09713	7.1
130.79338	4.1
141.07521	3.7
151.04021	4.7
161.02438	3.4
171.08830	5.1
171.10284	100.0
183.13809	5.1
195.13835	7.1
199.24556	3.9
205.12378	9.2
209.11879	25.5
211.13417	33.3
218.62112	3.6
223.13377	81.8
227.12846	5.8
235.08255	6.7
236.80266	3.6
241.14467	10.2
242.14847	5.1
253.09273	10.3
289.07205	6.6
459.22299	16.1
613.33362	5.9
672.34100	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	673.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85923	0.6
57.03465	0.7
65.00318	1.2
65.31840	0.6
68.34241	0.5
70.89053	1.2
81.03475	0.6
83.01414	1.2
89.03970	4.6
95.05050	1.1
96.96014	2.5
97.02960	1.6
105.03495	1.0
109.02959	9.2
117.03458	0.9
121.02924	1.0
122.03711	0.9
123.04525	4.5
125.02454	3.1
132.02170	0.9
133.02953	12.8
135.04552	1.2
137.02449	7.8
139.03973	1.3
145.02917	0.9
149.01340	0.9
149.02373	2.8
151.04012	2.7
153.07155	0.7
159.04491	2.0
161.02458	13.8
161.06041	1.1
163.00313	0.6
163.03949	0.7
165.01924	1.5
165.59483	0.7
175.03926	0.9
176.01176	2.4
177.01939	100.0
178.02321	3.0
178.16284	0.5
179.03490	1.7
185.02370	0.7
185.05925	0.5
187.03966	1.2
189.00308	0.9
189.01949	13.4
190.02509	0.9
193.28851	0.6
201.02010	1.0
202.06361	0.6
202.99919	0.6
203.03523	2.6
203.07150	2.6
205.01451	0.8
205.05077	1.4
212.04892	0.6
216.00655	4.5
217.01422	8.0
218.01846	0.6
221.00923	19.1
227.03546	4.3
229.01372	3.1
239.03491	1.8
240.53340	0.5
245.04610	0.7
245.08086	2.8
251.03322	0.8
253.05069	0.9
254.24626	0.6
255.03081	0.9
265.04956	0.6
277.05090	0.7
279.03036	2.5
280.03775	0.7
281.04605	1.2
289.07184	18.5
290.07462	1.4
293.04590	1.0
295.02588	0.9
297.04047	2.3
299.05576	1.8
307.02573	2.9
308.03223	1.4
309.04153	1.4
311.05612	0.6
321.04065	6.1
322.04462	0.6
325.03561	5.1
337.03290	0.8
339.05148	8.9
340.05429	1.0
341.02887	2.1
341.06693	0.6
351.01358	0.7
352.99176	0.7
369.02518	1.7
371.04385	1.2
383.03928	4.0
384.04794	1.0
393.44995	0.6
433.09680	1.0
451.10272	2.5
459.07285	7.8
477.08444	4.1
503.06390	1.8
521.07208	5.1
522.07764	0.8
611.11420	0.8
629.13434	1.9
673.11591	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	672.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72838	1.2
59.01363	6.5
60.63967	1.2
61.98827	5.1
68.73543	1.2
71.01392	2.9
71.51859	1.4
75.00896	1.3
89.13383	1.0
93.03429	1.3
101.02424	1.3
109.02995	1.9
119.05005	1.2
121.02911	1.4
125.02432	3.7
126.83118	1.4
127.28114	1.2
133.02957	13.8
135.04456	2.3
151.04013	1.3
161.02405	2.5
163.04001	2.0
173.02423	2.9
173.04552	1.9
175.00346	5.5
175.03966	1.6
177.01993	1.4
203.44980	1.2
227.07132	5.4
244.34189	1.2
251.24734	1.2
253.05013	2.3
255.02737	1.3
260.82190	1.2
265.04965	2.8
267.02902	3.2
269.04413	1.3
281.08044	1.4
284.03540	6.2
285.03943	7.3
297.04001	12.0
298.04828	12.2
299.05643	10.4
309.04056	88.4
310.04309	5.7
311.05582	3.3
324.02866	1.3
327.05096	87.2
328.05402	5.1
339.05051	3.9
357.06165	36.5
358.06848	1.7
369.06192	2.7
429.08243	19.2
447.09296	1.3
449.10977	2.6
489.10370	19.6
609.14624	100.0
610.14935	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	672.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31270	0.8
57.03445	2.1
59.01371	4.7
61.98840	6.0
71.01373	3.6
72.96262	0.9
87.00850	1.0
89.02429	1.9
93.03438	3.2
98.20663	2.6
109.02942	2.5
123.04522	2.3
125.02457	10.0
133.02953	7.6
134.03740	1.3
135.04529	1.4
137.02408	2.1
149.01070	1.0
149.02390	1.8
151.04001	5.5
161.02403	5.6
163.00339	2.2
163.04053	1.6
164.01070	1.3
167.03490	1.4
173.04471	3.9
175.00400	1.3
175.04007	2.4
177.01866	3.7
179.03546	1.2
191.03394	1.2
199.04005	1.2
201.01848	1.2
227.07162	7.9
269.04507	2.1
281.04648	1.1
281.07950	1.8
284.03152	5.2
285.04071	7.1
287.05646	1.4
289.07129	3.0
297.04028	12.7
298.04813	30.6
299.05484	8.0
309.04028	16.6
310.04230	1.5
311.05661	2.0
313.03464	4.6
325.03592	2.5
327.05075	42.7
328.05386	3.0
330.03690	1.7
339.05023	6.0
351.05231	1.8
353.03101	1.0
357.06161	11.7
369.06161	2.3
381.05966	1.6
429.08319	4.8
447.09366	8.7
448.09619	1.3
489.10358	8.5
602.49268	1.0
609.14587	100.0
610.14832	10.8
627.81262	1.0
628.30530	1.1
672.22791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66211	0.9
57.06389	0.9
58.53628	0.9
59.01370	1.1
61.79367	0.8
61.98841	1.6
66.95206	0.9
76.52410	0.8
85.02965	1.6
109.02954	3.5
111.08163	1.6
119.05020	1.3
123.04515	1.6
125.02450	2.7
129.43657	1.0
133.02959	8.1
135.04544	2.0
137.02435	1.8
139.04054	1.5
141.12288	0.9
149.02429	1.6
151.03981	3.0
154.94164	1.0
161.02437	3.3
163.04012	1.7
173.04556	4.1
175.03961	1.6
177.01958	1.7
179.03511	1.4
190.32050	1.0
191.03606	1.7
191.05617	2.6
201.02036	1.3
203.03333	1.3
205.01508	1.4
205.05080	1.7
213.05573	1.0
217.05034	1.4
220.09850	2.8
227.07137	1.6
281.04764	1.0
287.05814	1.3
289.07132	5.4
297.04074	2.9
298.04730	8.8
299.05432	3.0
311.05676	5.4
312.06454	5.5
313.07071	6.6
327.05200	6.4
339.05020	8.6
340.05295	1.0
341.06613	4.2
351.05121	1.2
353.06726	2.7
357.06134	1.8
369.06140	41.4
370.06564	3.4
370.36880	1.2
381.06073	4.3
382.12988	2.2
399.07181	32.2
400.07626	1.9
411.07166	3.9
413.09113	1.2
429.08081	6.9
441.08109	1.6
447.09155	1.2
451.10059	1.3
471.09097	1.7
489.10385	15.1
500.57880	1.1
502.14761	2.5
513.02850	1.2
519.11212	3.4
520.16284	2.5
609.14575	100.0
610.14960	12.1
672.20953	3.1
673.21191	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	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13927	1.7
59.01356	1.7
61.38698	1.9
61.98822	4.2
62.24331	1.7
69.35822	4.4
69.36236	12.0
77.03003	1.7
98.20718	3.4
101.14053	2.1
109.02937	2.1
151.00395	9.2
163.00395	2.4
176.51347	2.0
178.99887	5.2
221.00096	1.8
243.02974	8.7
254.02351	2.1
255.02950	16.4
270.34100	2.0
271.02490	41.1
272.03067	2.6
300.02765	79.4
301.03476	30.5
338.02893	1.9
609.14600	100.0
610.14752	9.1
621.45837	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.00603	1.0
59.01379	8.0
61.98830	18.0
65.77473	0.9
69.03432	1.2
71.01380	6.8
71.04983	1.0
71.51768	1.2
85.02943	2.2
89.02425	4.2
95.32262	0.9
97.02943	2.8
97.06583	1.3
99.00910	5.4
101.02441	6.4
109.06583	2.5
113.02445	2.6
125.02447	0.9
125.09700	2.7
129.01880	1.0
135.08200	1.0
142.02713	1.9
143.50072	0.9
145.05115	1.1
151.11261	1.0
157.45140	1.0
161.04543	1.6
163.11276	6.1
165.12862	6.7
171.10309	1.2
179.10768	2.6
181.12334	11.3
183.13889	61.0
184.14227	2.6
185.11720	1.3
195.33784	1.0
197.11833	23.4
199.21657	1.1
207.08391	1.4
207.10260	28.5
209.11801	10.1
210.11926	1.0
211.13393	23.5
212.13713	1.3
223.13330	1.7
224.13753	1.1
225.11320	49.2
226.11661	2.4
227.12854	7.5
229.73270	1.0
235.08192	3.4
241.14494	7.8
243.12311	3.4
246.75380	1.0
253.09315	4.9
363.18478	1.0
443.19397	1.5
461.20248	8.9
463.21756	3.6
464.22641	1.0
509.27036	1.2
627.33832	3.9
653.31519	2.0
671.32776	100.0
672.32892	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.29927	0.8
59.01383	8.2
61.98829	4.8
66.44999	0.6
66.48042	0.6
69.03470	1.1
70.92443	1.5
71.01383	10.3
71.05005	1.3
72.99313	0.7
73.02961	1.7
80.02692	2.0
81.03491	1.0
81.95122	0.7
83.01382	1.2
83.05038	5.2
85.02951	3.1
87.00890	2.4
89.02440	4.1
95.05035	2.0
97.02946	6.7
97.06601	2.2
99.00889	10.5
101.02450	5.5
109.06604	2.7
110.03767	1.1
113.02465	3.7
118.28371	0.7
119.03527	1.1
123.04567	0.9
123.08145	0.9
125.02452	1.7
125.09725	6.4
128.97752	0.7
135.08194	1.9
136.05324	1.0
142.02731	1.8
145.05118	0.8
161.04601	1.3
163.11293	10.9
165.12831	2.7
167.10800	1.2
171.10266	4.0
179.10751	1.2
181.12337	13.4
183.13855	1.5
185.11842	2.5
191.10768	1.1
195.10210	0.7
197.11812	2.6
199.13361	1.0
203.14404	0.9
207.10249	36.6
208.10579	1.7
209.11823	100.0
210.12180	4.3
211.13380	2.6
221.15495	1.4
223.13376	0.8
225.11316	70.6
226.11626	3.1
227.12874	16.3
235.08307	3.5
237.14851	1.9
243.12349	9.0
253.09268	4.9
263.12933	1.0
299.14749	0.8
301.25165	0.8
311.23657	0.8
317.15924	0.7
329.24890	2.0
337.21777	1.0
355.22665	2.3
373.23758	7.6
386.48495	0.7
391.24884	8.4
392.25381	1.1
399.21918	0.7
409.25903	3.0
417.22763	2.8
435.23703	2.2
443.19067	2.8
461.20325	20.7
462.20264	1.7
609.32794	5.4
610.33014	1.2
625.31262	0.7
627.33905	3.2
639.21259	0.8
643.30377	1.1
653.31769	18.9
654.32288	2.0
671.32672	25.3
672.33582	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	671.2677
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
57.05105	4.8
59.01365	6.8
61.98826	13.9
62.97953	5.1
69.30282	44.8
78.95897	9.1
98.20689	10.2
142.93604	5.4
142.94717	5.8
152.99551	5.5
175.53169	4.9
175.60590	4.6
249.65753	5.4
255.23219	7.1
261.06308	5.5
281.24915	5.1
493.04062	5.3
589.64160	5.8
631.93103	5.9
634.41156	5.4
671.26721	100.0
672.27283	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	671.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69894	1.1
57.03436	1.1
59.01384	7.1
61.98829	12.4
63.28419	1.2
69.03435	3.4
70.82992	1.3
70.83333	2.3
71.01363	5.1
71.04996	2.2
73.02910	1.1
76.38995	1.1
83.01390	1.4
85.02962	1.5
89.02431	2.6
99.00882	1.4
101.02434	4.9
113.02441	2.6
120.12746	1.0
125.09711	1.7
151.11288	2.4
161.04602	1.6
161.09677	4.1
171.10255	1.1
179.10791	8.9
183.12419	1.0
183.13861	7.5
185.11919	1.5
193.12231	1.2
197.11841	45.2
198.12178	1.9
207.10294	2.7
209.11923	5.3
211.13403	67.3
212.13707	3.2
212.24809	1.3
223.13403	2.9
225.11276	4.5
227.12781	1.4
241.10811	2.0
241.14482	4.1
253.09229	4.1
289.07089	1.3
304.20441	1.1
352.80383	1.3
417.66003	1.1
477.19629	1.4
604.32562	1.3
653.30719	1.6
671.32782	100.0
672.33295	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	669.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40207	0.7
50.53168	0.5
54.76564	0.6
55.01871	1.8
55.63900	0.6
57.03443	1.6
59.01382	20.1
61.98832	7.2
68.97562	0.5
70.02230	2.2
71.01387	24.2
72.99316	1.9
73.02956	8.8
75.00867	0.8
83.01394	4.6
85.02954	12.8
86.00084	0.7
87.00875	2.6
89.02448	6.3
95.01391	3.0
97.02953	0.8
98.20020	0.7
99.00910	3.4
101.02456	18.9
107.53377	0.5
109.02943	0.6
111.00888	2.6
113.02474	9.0
119.03488	2.9
125.02447	1.1
129.01917	0.6
132.46758	0.6
141.01976	0.6
145.02974	1.0
150.06850	1.1
159.02960	2.0
161.02457	1.0
161.04570	1.9
171.10300	0.9
179.10814	0.9
193.05081	0.6
241.33440	0.6
299.25897	0.7
345.30087	2.5
483.45209	0.7
507.35425	10.7
508.35596	0.8
525.34393	1.5
669.40717	100.0
670.41022	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	669.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59261	0.2
55.01851	0.3
57.03432	0.5
59.01379	4.6
61.98828	1.6
69.03469	1.7
69.03789	0.3
71.01385	3.3
71.05017	0.8
72.99303	0.2
73.02946	0.6
80.02664	0.9
81.03480	1.1
83.01392	0.5
83.04576	0.4
83.05032	4.4
84.02151	0.7
85.02953	0.9
87.00860	0.7
89.02436	2.2
93.03487	0.3
95.01404	0.3
95.05038	0.7
97.06613	0.4
101.02438	3.0
103.23352	0.2
109.06572	0.6
111.08216	0.3
113.02483	1.2
113.57742	0.2
119.03478	0.8
125.02446	0.3
125.06090	0.5
125.09748	0.6
131.14595	0.3
133.62466	0.2
135.08156	0.7
141.09131	0.3
145.05106	0.3
149.09674	0.5
161.04488	1.3
163.11296	3.6
165.12842	2.2
167.10764	2.1
171.10274	3.0
177.12727	0.6
179.05539	0.5
179.10751	1.1
179.14426	2.5
181.12320	0.6
191.10707	1.2
195.13893	7.0
196.14337	0.4
199.13345	0.3
205.12323	6.4
206.12701	0.5
209.11823	100.0
210.12175	4.6
210.53082	0.2
211.13383	0.4
221.11842	0.3
223.13388	70.5
224.13748	4.4
227.12875	14.6
228.13223	0.7
229.02577	0.3
235.08253	3.2
253.09286	10.3
261.14951	2.4
389.23242	0.3
397.23938	0.3
433.25961	0.2
441.21356	0.5
445.20911	0.9
459.22360	5.4
460.22549	0.4
461.65747	0.2
516.87500	0.2
633.33008	0.9
651.34045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
58.37138	0.8
59.01375	9.2
61.98836	4.4
69.03448	2.6
70.99249	2.0
71.01381	9.1
71.04989	1.1
73.02945	1.6
81.03420	1.3
83.05025	1.7
85.02940	2.4
85.06567	1.4
87.00869	1.9
89.02447	4.8
95.05008	1.4
97.06592	1.6
101.02428	6.2
111.08170	1.4
113.02435	3.5
114.19633	0.8
119.03533	1.4
126.84026	0.9
129.42355	1.0
145.05038	0.9
149.62521	1.0
152.99609	1.2
156.55203	1.0
161.04546	2.5
164.32143	1.1
165.12837	11.7
166.13171	1.1
167.10718	5.0
177.12852	1.3
179.10768	1.4
179.14359	4.5
183.13893	94.4
184.14211	3.2
195.13872	13.6
205.12326	11.2
209.11804	13.2
210.11987	1.0
211.13441	2.4
221.11757	1.1
223.13387	80.9
224.13701	3.0
227.12862	8.0
235.08273	3.3
239.12987	1.5
253.09363	7.9
272.06836	1.1
361.27545	1.0
445.20871	3.1
459.22388	6.7
463.21628	6.1
669.34894	100.0
670.35352	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	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.65496	0.9
56.08726	0.9
57.03439	1.1
59.01387	5.6
61.98829	5.7
62.30241	0.8
67.45469	0.9
69.03454	4.2
70.61813	2.6
71.01376	4.3
71.05020	1.3
73.02954	1.2
83.01414	0.8
85.02957	1.3
87.00906	1.6
89.02462	2.6
94.11948	0.8
101.02459	4.2
109.02977	0.8
112.95931	0.9
113.02432	2.7
123.08109	0.9
125.09749	2.5
151.11288	2.8
153.12823	1.2
161.04520	1.0
161.09702	4.5
179.10773	8.8
197.11826	42.3
198.12164	2.5
209.11827	88.0
210.12112	5.4
211.13341	3.3
223.09744	0.9
223.13335	4.5
227.12872	2.2
235.08299	1.6
241.10802	1.6
253.09305	4.8
360.30157	1.0
477.19540	1.9
493.11038	1.1
669.31293	100.0
670.31458	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	669.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03453	0.8
58.80946	0.4
59.01374	4.6
61.98834	2.7
68.22195	0.5
69.03458	3.0
70.37063	0.8
70.37399	0.6
71.01382	4.7
71.05024	1.5
73.02946	1.0
83.05050	0.5
85.02978	1.5
89.02437	2.7
95.69530	0.4
97.02935	0.6
99.00860	0.7
101.02435	3.3
109.06548	0.6
111.66278	0.5
113.02455	1.7
116.48892	0.4
119.03528	0.8
120.06168	0.5
123.08161	1.1
124.35381	0.4
125.09711	1.7
147.50761	0.4
149.09789	0.6
151.11292	1.4
153.12875	1.8
161.04567	1.0
161.09723	3.1
174.64180	0.5
179.10768	7.6
185.93973	0.5
197.11818	82.1
198.12125	3.2
209.11815	43.3
210.12167	1.7
211.11653	0.5
211.13396	2.7
221.11774	1.2
223.09703	1.3
223.13466	1.3
225.11417	0.9
227.12874	0.7
235.08192	0.8
238.11676	0.5
239.12875	1.6
241.10785	4.0
253.09241	3.6
307.37296	0.5
361.08725	0.5
459.18732	1.0
477.19785	3.6
518.03699	0.5
651.33514	0.8
669.31232	100.0
670.31525	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	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19420	0.6
52.98064	0.7
55.01872	1.8
57.03440	1.7
58.00584	1.8
59.01380	35.5
59.83567	0.7
60.36343	0.5
61.98832	35.1
69.36391	3.2
69.36816	2.3
71.01382	33.0
72.99297	2.8
73.02956	6.9
83.01379	5.4
83.04996	1.2
85.02946	14.5
86.00098	0.9
87.00891	3.2
87.94536	0.7
89.02446	17.5
95.01391	2.6
97.02942	1.2
99.00896	3.6
101.02445	24.7
101.23572	0.6
102.02780	0.8
111.00870	2.6
113.02449	12.8
119.03516	6.1
125.02483	1.0
131.03491	1.1
133.03802	0.7
137.02432	0.8
143.03546	0.8
159.02936	1.7
160.44315	0.7
161.02441	1.0
161.04570	1.6
179.05602	1.4
205.38069	0.6
221.81976	0.6
258.29773	0.8
289.06961	0.8
343.28558	1.3
414.47720	0.7
487.32669	3.7
505.33740	14.9
506.34250	1.5
607.36346	0.8
667.39081	100.0
668.39404	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	667.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
56.71344	0.7
57.03434	2.4
58.00587	1.1
59.01379	17.6
61.98826	14.0
64.07822	0.7
69.03434	1.2
71.01009	1.3
71.01381	22.9
71.52592	0.9
72.99300	2.1
73.02950	9.3
75.00848	1.3
83.01389	6.1
85.02949	13.3
86.00062	0.8
87.00860	3.2
89.02440	5.1
95.01367	2.4
96.95983	0.8
97.02949	1.4
99.00873	4.6
101.01804	1.1
101.02452	21.1
111.00901	5.6
113.02443	10.1
119.03492	2.4
125.02425	1.7
127.05119	0.8
129.01930	1.0
130.53856	0.8
137.02446	0.8
141.01886	0.9
145.02917	1.1
151.03981	1.0
159.02991	2.1
161.02312	0.7
161.04523	2.1
163.03958	1.1
205.04994	0.9
223.57294	0.7
223.59879	0.7
248.97414	0.7
284.03357	0.8
299.05753	1.2
384.29071	0.7
505.33847	13.5
506.34177	1.1
519.30780	0.9
530.67120	0.8
667.39099	100.0
668.39465	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	667.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53374	0.9
55.01880	1.9
57.03450	1.8
58.00589	3.9
59.01378	96.1
60.01719	0.9
60.83171	0.8
61.98835	1.6
69.03443	1.1
70.63366	1.3
70.63703	1.8
71.01381	68.3
72.99314	5.7
73.02946	10.7
80.11009	0.9
82.60656	1.0
83.01387	2.1
85.02946	11.6
85.69162	0.9
86.00108	2.3
86.96782	0.9
87.00875	14.2
89.02443	100.0
99.00887	2.1
101.02441	48.2
103.00375	1.8
112.98817	3.1
113.02453	11.6
119.03527	5.2
125.02437	3.6
131.03499	46.1
132.03822	1.0
149.04550	74.5
161.04602	1.0
179.05550	1.6
191.05603	27.3
251.07837	1.1
301.01459	0.9
311.09891	1.5
341.44370	1.1
347.62115	1.0
381.56839	0.9
447.21860	1.0
512.44275	1.0
535.27399	8.1
667.31866	71.0
668.32300	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	667.2615
Annotation	Junipercomnoside B
Peak:m/z	Relative Intensity
55.01874	0.8
55.18464	0.6
56.68195	0.5
57.03443	0.8
58.00577	0.9
58.11970	0.6
59.01383	22.1
61.98831	0.8
69.03442	1.1
69.22711	5.7
71.01012	1.2
71.01387	17.0
72.99311	2.1
73.02951	3.0
75.00886	0.8
78.95922	1.2
81.03427	0.7
83.01421	2.8
85.02959	7.6
87.00861	2.0
89.02004	0.7
89.02452	6.9
95.01379	1.2
99.00851	1.2
101.02442	8.5
103.03997	0.8
108.02149	1.4
109.02964	7.2
113.02467	5.1
119.03477	2.1
123.04512	1.2
125.02443	0.9
127.04015	1.6
127.72778	0.5
128.03510	1.6
143.03464	0.8
159.03230	0.7
159.04495	3.6
161.04555	1.0
163.17154	0.5
172.05301	1.3
173.06073	3.0
179.05600	0.9
187.07614	2.8
189.05550	1.9
191.07129	0.7
194.36734	0.5
203.07063	1.1
241.05099	4.9
255.06606	1.5
267.06979	1.1
281.08188	2.5
283.09973	0.7
293.08231	0.7
295.09839	4.7
296.10419	2.3
297.11386	0.9
299.09149	2.4
312.10043	0.9
313.10910	5.3
326.11551	2.5
327.12350	2.4
329.10266	1.8
341.13922	3.3
343.11856	1.3
344.12622	10.6
345.13400	3.8
353.10840	0.6
359.15042	18.6
360.15384	1.5
369.10764	0.6
373.79535	0.6
459.16510	1.2
490.18524	1.0
505.20792	40.0
506.21179	5.3
570.30408	0.7
667.26080	100.0
668.26465	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	667.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36829	1.9
58.02977	15.8
59.01382	23.4
61.98820	5.9
64.00788	1.9
66.03486	2.3
70.02979	2.0
70.24731	1.6
71.01385	17.7
71.52131	2.0
72.00871	2.5
72.99298	3.4
73.02934	4.0
74.02476	29.6
75.00858	3.7
81.04595	2.8
82.02972	5.5
83.01356	2.3
85.02928	9.5
86.02480	9.9
86.06069	2.2
87.00876	4.0
87.05614	5.1
89.02429	6.4
93.03437	4.0
95.01363	2.3
97.04045	4.2
99.00838	2.0
99.05640	22.5
101.02444	9.2
101.07171	6.4
102.05600	6.6
109.04061	5.0
109.07716	2.0
111.05636	4.1
112.04019	4.2
113.02420	8.4
119.03451	1.9
123.04473	2.1
124.04027	2.6
125.02400	4.2
125.03557	5.0
126.02077	2.0
126.39012	1.6
127.05087	6.5
128.03555	72.6
135.04491	5.8
135.05603	13.4
140.10719	1.9
141.06705	3.5
143.04631	94.4
145.06180	4.2
146.04614	9.2
149.02573	1.7
151.04114	2.0
153.06644	6.8
158.25656	1.7
161.02438	1.6
163.04002	3.0
166.09830	4.8
167.04599	3.3
167.08221	6.4
173.03078	2.1
173.04517	4.5
179.04637	28.0
185.05664	3.5
191.05618	10.0
192.07834	2.0
197.05646	6.3
210.08867	25.0
229.58331	1.9
232.08066	10.7
254.07825	50.4
255.07892	2.5
259.13168	1.8
267.07166	4.3
272.08881	83.1
273.09094	2.7
283.06525	1.8
298.69760	1.9
309.08655	3.3
337.08057	2.2
394.13129	4.9
421.18738	2.3
434.12936	3.9
451.10324	2.9
493.20743	4.8
519.20654	4.6
538.18488	10.5
644.59204	1.8
649.21716	20.5
650.22150	3.0
667.22900	100.0
668.22913	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	667.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64527	0.6
59.01376	13.1
60.99307	18.1
61.98793	1.0
62.61333	0.7
69.94402	0.6
70.66781	0.6
71.01384	7.9
71.51520	0.9
72.99308	0.9
73.02956	2.0
75.89949	0.7
84.53584	0.7
85.02956	2.3
87.00893	1.5
88.98804	100.0
89.02444	9.4
89.99171	1.2
96.55972	0.8
101.02437	5.3
103.00381	2.5
113.02449	1.2
117.03454	2.0
119.03465	0.9
125.02450	1.6
131.03490	4.6
135.04507	0.7
145.72989	0.7
149.04527	5.1
151.03943	0.9
161.02434	0.7
163.36333	0.7
166.08961	0.8
173.02470	1.9
175.00388	1.9
183.00446	0.9
191.05629	2.3
219.35313	0.7
220.34814	0.7
241.35736	0.8
274.92245	0.8
282.05368	1.4
283.06122	1.8
293.04553	24.1
294.04926	1.7
311.05719	2.8
323.05621	0.8
341.06644	1.5
413.08777	9.2
414.08984	1.5
563.14282	2.4
577.15546	25.6
578.16052	3.3
578.61688	1.0
667.32721	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	667.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86940	2.2
57.03455	10.6
59.01374	3.9
60.99303	21.0
78.70253	1.8
83.01387	2.1
88.98808	100.0
93.03432	4.4
93.48881	2.2
97.02938	4.6
109.02950	20.1
121.02906	3.9
123.04494	8.7
125.02453	89.5
126.02808	3.1
133.02940	4.4
135.04497	7.6
135.05423	1.9
137.02454	19.4
139.03906	2.9
149.00920	1.9
149.02455	4.2
151.04037	10.7
159.04509	4.3
161.02434	31.7
161.05963	2.7
163.00333	2.0
163.04005	4.8
164.01164	3.0
165.01912	4.5
173.04517	4.2
175.04012	10.5
177.01872	3.7
179.03459	5.4
187.03966	8.3
188.04684	3.4
191.05589	3.6
193.05133	2.9
203.07124	9.5
205.01463	4.1
205.05031	9.1
213.05417	2.5
227.03484	2.2
229.05067	2.6
229.67117	3.0
245.04375	6.3
245.08185	18.1
255.03055	9.6
256.03534	4.4
271.09698	2.1
273.04037	3.3
281.04617	2.9
287.05728	12.2
289.07193	71.4
290.07660	4.0
297.04153	2.8
299.05484	7.5
311.07864	4.3
312.66833	2.4
329.06314	2.0
339.08801	4.1
360.10095	2.1
381.09601	2.8
386.63510	2.3
407.07764	80.7
408.07907	7.3
425.08780	70.3
425.14529	4.2
426.09174	5.6
451.10297	25.4
452.10266	2.8
522.79688	2.1
577.13702	31.1
578.13501	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	665.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01108	0.3
59.01379	3.5
61.98823	0.4
69.03452	2.0
69.18658	0.4
69.19062	1.2
71.01379	2.5
71.05016	0.6
72.93218	0.2
72.99277	0.2
73.02946	0.5
75.89627	0.1
80.02686	0.2
83.01377	0.2
83.05016	0.5
85.02955	0.6
85.06595	0.5
87.00863	0.7
89.02448	1.7
91.55643	0.1
93.03468	0.4
95.01362	0.2
95.05035	0.5
95.75535	0.1
97.06568	0.3
101.02448	2.1
106.52653	0.2
109.06572	0.5
111.08128	0.1
111.72817	0.1
113.02429	1.1
119.03474	0.5
123.08151	0.2
125.09717	0.3
133.05000	0.2
135.11754	0.2
141.09192	0.2
145.05043	0.4
149.09702	0.6
151.11255	0.2
161.04556	1.0
161.13371	0.3
167.10774	3.2
177.12840	0.5
179.05602	0.4
179.10791	1.0
179.14412	3.3
180.14719	0.2
187.11240	0.2
195.13898	9.8
196.14296	0.3
205.12318	9.9
206.12648	0.5
223.13379	100.0
224.13713	4.7
235.08214	2.6
235.10455	0.3
253.09270	6.0
254.09708	0.3
259.13242	0.2
325.27747	0.2
411.25299	0.8
429.26297	1.2
441.21255	1.7
459.22345	10.8
460.22589	0.9
464.86188	0.2
595.31439	0.2
605.36310	0.2
621.33014	0.3
647.34198	1.1
665.35455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.5
59.01384	6.9
61.98537	1.2
61.98832	19.8
69.49427	2.2
69.49837	2.4
71.01375	4.9
73.02949	1.3
80.02686	1.3
81.03477	1.2
83.01406	1.1
83.05029	4.2
85.02945	1.9
87.00880	1.7
89.02463	4.2
95.05012	1.0
97.06597	13.1
97.57928	0.7
99.94535	0.7
101.02443	4.2
109.65402	0.7
113.02448	2.6
117.84008	0.7
119.03487	0.7
123.08178	5.9
125.02446	1.1
125.09728	87.2
126.10055	2.3
130.88339	0.8
143.10823	1.5
149.35535	0.8
161.04572	2.3
163.11285	2.6
164.11650	0.8
165.12851	1.9
169.08778	1.8
179.05698	0.8
187.09753	55.7
188.08429	0.6
188.10110	2.8
189.95787	0.7
191.10745	0.7
209.11830	46.3
210.12129	1.3
227.12930	3.6
235.08218	1.4
253.09244	3.5
369.50223	0.8
405.17761	4.5
423.18719	11.2
503.32327	1.3
615.30463	4.5
616.30109	1.2
633.31274	100.0
634.31512	12.7
665.34351	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77350	1.3
57.01931	1.5
57.03450	70.0
58.00587	2.1
59.01381	27.4
61.98835	13.5
69.03445	2.7
69.67471	7.3
69.67896	3.1
71.01385	20.4
72.99295	8.3
73.02959	5.1
75.00867	16.0
83.01401	2.9
85.02952	19.0
87.00878	7.2
87.04517	1.9
89.02456	6.3
93.03446	1.9
94.11335	1.4
95.01385	3.8
95.25819	1.5
99.00899	9.6
99.04518	51.8
101.02448	36.2
102.18709	1.9
109.02958	1.5
113.02464	16.8
115.00400	2.1
117.01939	2.6
123.04488	2.1
125.02449	6.7
125.09705	11.4
126.63689	1.8
136.01743	2.2
137.02443	2.5
151.04056	2.1
161.04550	74.7
162.04993	1.9
163.04099	1.7
171.10210	1.7
173.04547	1.7
175.02469	2.4
177.01961	2.1
181.05161	2.2
201.11320	62.8
205.05016	2.4
249.06213	13.1
267.07474	2.0
268.07526	1.5
306.00717	1.9
311.09076	2.3
326.11591	6.5
327.12399	7.3
341.14063	7.4
355.11920	2.8
374.92001	1.7
387.14560	2.5
392.89679	1.9
451.18213	44.8
452.18640	2.3
467.70010	1.7
473.14661	4.0
488.17038	6.0
491.19052	16.4
503.19199	100.0
504.19647	12.9
521.20508	4.6
647.29449	3.2
665.30621	74.9
666.31409	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	665.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
63.74594	1.5
67.01883	2.9
69.03464	2.3
71.01391	6.8
71.51048	2.0
72.99321	1.9
73.02930	1.7
75.00871	21.7
85.02966	6.4
87.00854	6.6
89.02441	1.9
93.03467	22.7
96.11995	1.3
105.01920	3.6
105.31010	1.3
109.02944	6.6
111.04511	5.5
113.02451	1.6
119.05028	61.3
119.86060	1.2
125.02439	3.7
127.04013	1.9
129.01939	4.4
134.03717	2.2
135.04532	48.2
137.02429	3.4
147.03011	2.9
147.04474	1.4
149.00883	5.2
149.04517	2.0
155.03476	2.9
161.02429	4.1
163.04016	100.0
164.04321	2.8
165.04045	88.1
166.04472	1.3
173.04550	75.6
174.04912	2.6
177.02031	1.3
179.03505	46.4
180.03798	1.4
191.05602	42.7
192.05974	1.6
226.06366	1.9
227.07152	3.3
242.05791	1.6
255.10367	10.2
271.09717	1.9
305.06708	2.2
311.07764	33.3
311.11240	1.2
312.08066	2.6
317.06528	3.7
343.08136	4.9
353.08792	53.9
354.09009	4.1
359.07861	2.9
518.31299	1.5
665.16785	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	665.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87761	0.8
58.27540	0.8
59.01376	5.7
62.54993	0.7
69.62387	4.5
72.99306	4.4
78.95911	1.4
82.35599	0.7
85.02968	1.2
87.00874	12.2
88.98820	0.7
89.02429	1.0
89.03992	0.7
93.03439	1.3
98.20692	0.9
103.00364	2.4
105.01919	1.1
105.09525	0.8
107.04986	1.8
112.84144	0.8
112.98818	1.4
117.03396	0.9
133.02963	1.2
134.03760	6.3
135.04524	79.4
136.04866	2.1
149.00912	91.8
150.01289	1.2
161.02361	1.1
173.04561	3.1
175.49321	0.7
179.03493	100.0
180.03851	2.5
180.16803	0.9
191.05637	13.3
311.04065	12.0
323.13388	3.3
353.08755	7.8
354.09198	0.8
359.07556	0.8
401.03320	0.8
432.61639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03445	10.0
59.01379	54.6
61.42274	0.8
63.14430	0.8
67.01904	1.3
68.99817	1.3
69.03454	1.8
69.58637	6.8
71.01007	1.7
71.01383	26.7
72.99311	3.7
73.02955	2.8
75.00877	13.7
81.00939	1.0
81.03436	1.7
83.01390	6.4
83.05006	1.0
85.02950	26.3
86.64791	0.8
87.00865	10.4
89.02458	6.7
93.03477	1.1
95.01400	6.5
96.96015	1.8
98.16251	1.0
98.95597	1.1
99.00880	8.9
99.04514	7.9
101.02405	7.1
103.00342	2.4
113.02448	34.9
115.00405	1.5
117.01907	2.3
119.05012	0.9
125.02455	9.3
129.01929	2.5
131.03502	1.9
133.02963	1.0
134.33058	0.9
149.04552	1.5
157.01553	0.9
161.02419	1.4
161.04515	1.9
175.02480	3.3
205.07162	2.4
231.05081	1.6
249.06169	17.4
267.07208	78.9
268.07458	2.7
291.07248	2.0
309.08276	21.1
335.07675	1.3
349.11389	2.1
351.09128	3.6
381.10031	1.1
413.14386	1.2
440.84863	0.9
643.10583	1.1
645.20483	1.8
663.21362	100.0
664.21820	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	663.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61212	1.0
57.69861	1.1
59.01351	1.7
60.99279	1.1
62.62689	1.0
67.01894	2.9
69.37203	8.8
71.01368	3.3
81.03442	1.2
85.02953	1.6
93.03454	23.4
111.04515	3.2
119.05018	13.9
125.02433	1.0
137.02429	3.7
143.28654	1.2
155.03493	2.8
163.04019	17.3
173.04549	100.0
174.04903	1.5
175.20758	1.1
185.09584	1.2
191.05632	10.1
203.74933	1.0
239.06778	0.9
337.09265	32.7
338.09622	1.9
357.09775	2.2
629.01666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06985	0.7
57.03449	7.4
59.01381	42.9
69.03433	0.7
69.30339	4.5
71.01382	16.9
72.99318	2.8
73.02943	1.4
75.00876	9.8
83.01394	4.7
85.02953	18.4
87.00884	6.6
89.02441	6.1
90.35715	0.6
95.01389	3.7
99.00867	6.6
99.04516	5.8
101.02442	3.6
103.00366	1.5
112.01680	0.8
113.02451	28.3
115.00347	1.0
117.01930	1.7
125.02456	6.8
127.04044	0.7
129.01932	1.6
131.03529	0.9
152.92213	0.6
169.35039	0.6
173.04552	0.7
175.02483	2.6
191.78252	0.7
205.07172	1.5
207.05200	0.7
231.05106	0.8
249.06155	12.2
267.07211	100.0
268.07571	3.3
269.04440	0.7
285.06305	0.6
309.08243	14.0
310.08728	0.9
349.11453	2.3
351.09369	6.1
375.09399	0.8
393.10428	1.3
411.11008	0.9
645.20416	1.0
663.21405	52.4
664.21838	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	663.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81467	0.8
52.84326	0.6
53.74645	0.8
57.03445	1.1
59.01388	4.2
61.98811	1.2
69.75143	3.1
71.01386	4.6
72.99313	18.8
73.02975	1.3
75.00828	0.6
76.00511	0.7
85.02959	2.8
89.02446	2.5
93.03464	2.3
96.95956	0.8
99.00912	1.7
101.02444	1.9
109.02937	1.0
113.02473	4.6
117.03487	2.1
119.05032	100.0
120.05366	3.1
121.02972	5.0
123.04524	1.5
125.02453	1.6
128.03574	0.8
134.03777	5.2
135.04532	2.0
137.02385	1.5
145.02963	3.7
147.04561	1.7
149.02438	26.3
149.06050	2.0
150.03185	2.7
151.04013	1.0
152.01202	1.7
160.01750	0.9
161.02444	1.2
162.03244	1.1
163.04016	72.0
164.04785	13.6
175.00395	4.3
175.03952	1.3
176.01135	1.6
177.05573	1.1
178.02747	2.5
179.07144	2.6
190.02728	9.7
191.03467	4.2
193.01457	4.1
193.05066	5.5
205.05061	11.9
206.05496	0.9
208.03760	8.6
209.04523	6.3
223.06129	22.2
224.06429	0.9
224.30064	0.9
277.07147	1.7
289.07098	1.3
307.08151	1.4
310.59863	0.7
439.12479	10.3
440.13062	0.7
449.63074	0.7
457.13501	68.8
458.13742	4.7
471.08542	0.7
487.14609	4.9
663.19159	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	660.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
60.05074	0.8
61.21964	0.6
61.98821	2.0
69.22346	3.8
69.22771	2.7
69.45410	0.7
78.95906	11.1
98.20629	1.0
106.28529	0.7
122.00156	1.9
140.01164	3.9
152.99567	0.7
155.14400	5.0
183.13885	1.3
196.03795	2.0
199.13504	0.8
201.14960	100.0
202.15273	3.8
265.20322	0.7
279.23273	27.1
280.23547	1.5
366.32529	0.8
380.18280	0.9
384.66284	0.8
464.37161	0.9
476.27704	3.7
660.42365	20.1
661.42395	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44509	0.6
57.03456	4.5
59.01372	4.4
60.01715	0.8
61.98823	1.6
69.52477	4.1
71.01376	3.4
73.02955	1.5
73.13747	0.7
85.02943	1.4
87.00880	2.1
89.02448	1.7
95.01398	0.7
95.05041	2.0
97.06586	15.4
101.02425	4.6
113.02442	1.9
114.62440	0.6
123.08164	7.9
125.09721	85.1
126.10073	1.7
143.10806	0.6
145.05087	2.1
153.63852	0.8
161.04555	1.7
169.08713	2.5
174.24118	0.7
187.09758	29.5
188.10187	0.7
195.60178	0.6
235.08167	2.4
253.09261	2.8
255.23279	53.7
256.23587	3.9
350.63068	0.7
357.79117	0.6
369.54755	0.6
405.17624	4.4
412.31165	0.8
423.18817	4.2
472.47165	0.8
607.34937	0.7
628.14172	0.6
661.41663	100.0
662.42084	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	660.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09983	2.7
57.03465	2.8
59.01383	11.4
61.72330	2.5
61.98832	80.2
62.01445	2.6
67.83441	2.3
68.54186	2.4
69.77551	3.7
69.77966	11.7
71.01389	6.2
89.02454	3.8
93.03464	5.1
101.02472	4.9
109.02957	33.5
113.02478	5.2
117.03498	2.7
119.05050	3.1
123.04536	26.3
124.04922	2.9
125.02417	3.0
133.02971	3.2
135.04501	4.0
151.03996	21.1
161.02513	3.1
174.15472	3.0
177.01938	6.1
189.01901	7.3
205.05112	3.8
209.11821	2.9
215.03488	8.3
217.01436	4.6
227.12888	8.0
242.02219	3.8
243.02943	4.4
255.03233	2.9
269.01077	2.7
274.01126	4.5
281.04587	4.6
289.07126	6.8
290.07504	3.2
293.04706	3.4
296.10519	2.6
307.06134	7.2
308.06723	4.1
323.05515	9.2
325.53397	2.9
333.07565	3.1
341.06647	24.5
349.07025	2.9
363.05167	13.3
393.06229	20.6
394.06216	3.1
432.55737	2.8
435.10794	4.7
445.09036	5.7
458.56732	3.6
487.10397	97.0
488.10623	11.1
503.09879	9.9
597.14069	100.0
598.14386	16.6
661.30328	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	660.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61983	4.2
54.90318	5.2
59.01381	19.4
61.98828	89.7
71.01398	11.6
71.53167	5.8
73.02919	6.1
83.01392	8.3
83.04989	5.1
85.02938	7.8
89.02451	5.1
92.85792	4.1
93.03464	5.2
95.05054	9.8
97.02963	7.3
97.06592	4.2
101.02421	5.4
101.21461	4.2
108.02222	5.0
109.02951	40.3
110.03265	5.2
113.02465	4.9
119.03560	5.7
121.02981	7.5
123.04535	30.6
124.04881	4.6
125.02401	12.0
125.09711	9.7
127.03995	7.6
135.04480	6.1
137.02432	17.3
139.04005	20.4
149.02359	7.4
150.03165	5.8
151.03981	29.4
161.02428	11.1
161.06087	4.9
171.10295	13.3
177.01958	5.9
185.11810	18.6
189.02000	9.5
195.10211	27.4
197.11899	14.1
201.11362	8.3
203.07095	7.2
205.05048	12.3
209.11824	36.8
210.12134	10.8
213.11325	12.9
215.03499	7.7
217.01277	5.3
217.08571	7.1
221.08211	8.1
225.11299	5.9
227.12823	17.6
243.03159	5.5
245.08167	9.8
246.08260	5.2
253.09081	7.1
289.07187	58.0
290.07486	31.5
295.06134	6.8
307.06134	9.5
308.06833	8.6
323.05276	7.7
333.07816	8.2
341.06702	12.2
363.05173	13.5
369.13559	40.7
370.13773	31.8
393.06155	19.3
419.79572	4.6
445.09003	6.3
487.10342	100.0
488.10934	9.5
497.37753	7.9
597.13855	81.9
598.14520	12.1
653.76752	5.2
659.33429	8.4
660.33289	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	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01703	0.9
60.85300	0.5
61.98832	1.4
62.96296	0.5
64.37717	0.5
70.74426	0.8
70.74754	0.8
79.79049	0.6
94.07858	0.6
108.13605	0.5
113.09692	0.5
122.96239	0.4
154.54225	0.4
167.47667	0.5
255.23421	0.7
439.88766	0.6
567.67255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98501	0.6
51.67414	0.6
57.03442	2.1
59.01381	4.0
61.98830	6.4
69.03446	1.6
71.01376	1.0
71.32202	0.8
81.03453	2.7
83.01394	6.8
83.05022	1.1
85.02937	0.8
89.02450	1.6
90.73428	0.6
93.03471	2.0
95.01352	1.3
95.05025	3.0
97.02947	7.9
101.02461	0.9
108.02189	1.3
109.02947	26.2
109.03696	1.3
116.92859	1.3
121.02960	5.4
121.06551	1.1
121.73680	0.6
122.03738	1.9
123.00916	0.9
123.04521	21.9
124.01605	0.9
125.02444	15.0
125.09736	1.7
127.04016	1.9
133.03001	0.7
135.04535	3.2
137.02446	19.3
139.04012	5.2
145.02974	1.3
146.03729	2.6
147.04533	0.8
147.08127	0.8
149.02438	8.1
150.03209	1.2
150.06830	2.4
151.04002	10.7
151.07178	2.2
159.04524	5.3
160.05312	1.0
161.02437	2.3
161.04732	1.2
161.06049	7.3
161.09724	1.9
162.03177	2.8
163.03973	3.1
163.07628	1.6
164.01141	2.4
165.01941	3.7
165.05542	0.6
167.03506	1.4
167.10614	0.9
169.12323	1.4
171.10281	3.0
173.06082	0.9
175.03975	3.8
175.07635	2.2
176.01167	1.2
177.05591	1.5
177.09233	0.9
179.03471	5.2
179.10756	1.9
185.06108	2.0
185.11861	5.5
187.03973	6.6
188.04811	4.3
189.01929	0.8
189.05527	1.9
195.10274	6.1
197.11816	2.5
199.13385	1.8
201.05600	1.3
201.09221	0.7
201.11275	1.6
202.06319	2.1
203.03517	1.6
203.07127	15.0
203.10626	0.7
205.05061	15.4
205.08624	5.1
207.10280	3.4
209.11838	8.0
211.13503	0.7
213.11319	4.1
217.08667	10.9
219.10263	2.2
221.08220	1.8
225.11331	1.7
227.07135	1.8
227.10831	0.9
227.12787	4.4
229.05074	0.8
230.05820	1.1
235.08072	1.5
241.09573	0.8
244.07487	1.0
245.08170	17.8
246.08775	2.4
247.06079	4.5
247.09970	0.9
253.09250	2.3
259.09967	1.5
283.13376	1.1
289.07169	91.2
290.07574	5.2
301.14417	0.9
325.14401	4.4
369.13403	100.0
370.13803	7.1
380.62955	0.6
448.84430	0.7
449.20038	1.3
495.36264	1.5
496.37256	7.8
497.37457	2.6
507.16415	5.1
641.31805	1.3
659.21246	2.5
659.32770	10.3
660.31641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19150	1.1
56.64303	1.0
57.03447	2.3
59.01380	6.3
60.23519	1.4
61.42284	1.1
61.98827	19.5
69.03455	2.2
71.01382	4.5
71.23815	1.0
71.52750	1.1
72.99297	1.2
78.95913	1.2
81.03457	2.6
83.01378	9.0
83.05040	1.7
85.02937	1.3
89.02441	2.2
93.03450	1.4
95.01385	1.3
95.05017	2.9
97.02951	10.4
101.02442	2.4
105.37370	1.1
108.02174	1.8
109.02956	35.8
109.09570	1.1
110.03245	1.4
113.02419	1.4
119.03548	1.7
121.02951	5.0
121.06573	2.4
122.03652	1.5
123.04523	22.7
125.02461	15.0
125.09731	1.8
127.03973	1.6
135.04521	2.8
137.02440	19.1
139.04022	7.8
145.02945	2.4
146.03709	2.2
147.04485	1.5
149.02415	4.4
150.03181	1.7
150.06810	3.0
151.04021	10.8
159.04509	4.3
160.05254	2.5
161.02405	5.3
161.06084	7.8
161.09685	1.8
162.03133	3.3
163.04076	2.8
163.07640	3.0
163.11269	1.7
164.01106	3.5
165.01892	4.2
167.03529	1.7
167.10741	1.4
171.10265	4.8
173.09734	1.4
175.03955	2.5
175.07645	2.7
177.05521	2.2
177.09164	1.5
179.03470	5.5
185.11816	9.0
187.03990	4.6
188.04730	4.3
189.05534	1.9
190.02684	1.5
191.03476	2.0
195.10258	8.0
197.11826	3.5
199.13329	1.4
201.05551	1.5
201.11195	2.0
202.06401	3.3
203.03497	1.4
203.07130	15.2
204.07483	1.4
205.05031	14.4
205.08682	4.5
206.05460	1.4
207.10214	4.1
209.11823	17.1
213.05522	2.0
213.11272	4.8
217.08687	10.6
221.08153	2.0
225.11331	2.1
227.07156	1.9
227.12868	7.5
230.05965	1.7
231.03090	2.2
235.08261	1.6
245.08160	17.9
246.08702	2.0
247.06038	5.5
253.09221	4.6
283.13422	1.6
289.07169	100.0
290.07324	6.8
325.14389	4.2
326.95795	1.2
357.06409	1.8
369.13400	95.9
370.13672	8.8
496.37003	4.4
497.37515	2.9
507.16495	6.7
572.83588	1.6
597.13312	1.5
615.38269	1.4
623.30078	1.6
641.32867	2.4
659.21765	1.9
659.33038	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	659.2041
Annotation	Glycobismine G
Peak:m/z	Relative Intensity
57.03445	1.7
59.01381	13.9
62.71642	0.7
64.44405	0.7
67.01914	1.0
67.12716	0.8
69.03445	1.7
69.13880	5.4
69.14301	3.3
71.01385	16.0
72.99314	7.4
73.02936	1.6
75.00883	14.1
75.91277	0.8
81.03476	1.0
83.01385	1.1
83.05025	1.4
85.02955	18.1
87.00894	5.5
89.02446	3.6
91.03975	1.1
93.03444	3.7
95.01366	4.4
95.05034	8.9
97.06595	45.2
98.06909	1.1
98.20670	1.8
99.00892	8.6
103.00365	1.4
109.02945	2.4
113.02456	16.5
115.00368	2.8
115.07668	6.6
117.01939	2.1
125.02454	3.0
129.01964	1.2
133.02950	3.9
135.04527	3.1
141.05576	1.9
150.71361	0.9
150.72795	0.8
157.01398	1.8
159.04593	1.6
159.06635	33.5
161.02431	2.3
167.01799	1.4
173.04556	7.9
175.02525	1.1
177.01944	1.7
179.03464	3.0
191.05620	14.6
192.05933	3.1
192.99660	6.1
193.99966	2.6
233.10315	5.0
249.06161	8.2
254.40016	0.9
261.08780	3.8
267.07199	3.2
295.44275	0.9
305.06552	3.0
339.04962	1.4
347.13251	1.5
353.08755	3.5
385.05972	1.8
386.06284	4.1
391.12442	1.1
408.59448	1.0
409.13522	3.5
467.09702	1.6
483.17282	10.3
597.20349	2.1
641.19666	1.2
659.20428	100.0
660.20953	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	659.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01374	3.5
61.98819	4.6
69.03462	1.9
71.01383	1.3
81.03471	2.5
83.01381	6.1
85.02959	0.7
93.03455	4.3
95.01403	1.4
95.05034	3.3
96.96036	1.4
97.02944	7.8
99.04556	0.9
101.02494	1.0
108.54533	0.8
109.02948	30.9
117.85927	0.8
121.02914	4.9
122.03738	2.0
123.04525	24.0
125.02431	16.8
128.03491	0.8
133.02972	1.0
135.04485	4.1
137.02432	18.9
138.03201	2.1
139.03986	3.9
145.02905	1.9
146.03711	3.1
147.04471	0.9
149.02408	8.2
150.03259	2.2
151.04008	15.2
159.04449	4.9
160.05313	1.6
161.02454	4.9
161.06079	8.8
161.09721	1.7
162.03204	2.7
163.04013	7.1
163.07585	1.6
164.01144	3.2
165.01898	3.9
165.05569	1.2
167.03435	2.5
174.03142	1.1
175.03992	3.1
175.07623	2.0
177.05573	2.2
179.03471	5.1
185.06062	1.3
187.04037	6.5
188.04799	4.2
190.02754	1.4
191.03548	1.3
195.10313	1.0
195.75023	0.9
201.05577	2.2
202.06332	2.4
203.03416	1.1
203.07095	15.5
204.07590	0.9
205.05052	15.5
205.08664	4.3
207.10254	3.3
217.08719	10.1
219.10265	1.0
221.08150	2.5
227.07219	1.9
230.05905	1.4
231.02943	2.7
238.06097	0.9
245.08154	18.4
246.08699	1.9
247.06058	4.7
259.09784	1.2
271.05923	1.2
271.09848	0.8
283.13406	1.5
289.07162	100.0
290.07474	5.8
301.14651	1.5
315.08740	12.3
325.14453	4.6
343.11868	3.9
369.13394	99.5
370.13672	7.7
393.06128	1.2
507.16620	8.5
517.11572	1.3
548.41003	0.9
659.21832	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	658.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98815	0.7
70.99488	0.7
70.99828	0.8
78.95903	9.2
96.07079	0.3
98.32073	0.5
122.00117	0.8
128.15030	0.5
136.27034	0.4
140.01172	4.2
152.99593	0.4
155.14412	0.5
181.12334	0.7
185.38669	0.4
196.03731	2.3
199.13388	100.0
200.13750	3.9
223.04686	0.4
266.23581	0.4
279.23288	31.8
280.23654	2.0
290.23566	0.4
362.84796	0.5
378.17068	0.6
396.17908	0.8
458.26190	0.7
476.27802	3.8
521.30597	0.4
658.40820	12.3
659.41241	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	659.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26993	1.2
57.03437	4.0
57.12558	1.0
59.01363	4.3
60.27098	1.1
60.99305	1.4
61.79280	1.2
67.01883	4.5
70.02976	5.9
71.01382	4.3
71.34070	1.0
71.51174	1.8
72.04551	3.0
74.02476	84.4
75.02789	1.4
85.02948	8.7
87.00887	2.1
93.02866	1.6
93.03458	26.0
98.02483	19.1
107.05035	1.5
109.02917	5.4
111.04513	3.3
113.02467	1.9
116.03539	41.1
125.02456	19.7
127.04008	2.2
128.03574	6.2
132.04565	27.4
133.02963	2.5
134.03708	3.3
135.04532	62.2
136.04846	1.7
137.02435	6.7
144.04550	6.1
149.02408	1.5
155.03479	7.1
161.02451	10.9
173.04550	100.0
174.04887	3.4
175.08784	1.3
179.03505	61.5
185.91455	1.1
191.05623	42.0
192.05852	1.6
195.02956	3.2
201.06720	10.9
219.07709	4.2
261.08813	90.4
262.09045	4.6
287.05585	1.9
305.06616	22.3
306.06961	1.2
319.05743	1.1
338.10651	1.2
353.08786	64.7
354.09119	4.5
511.20313	1.4
525.66602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35475	1.8
54.65069	1.6
55.73209	1.7
57.03448	2.3
59.01367	5.4
61.98832	5.8
71.01382	6.2
71.11403	1.4
71.51115	3.5
78.07258	1.7
83.01401	2.3
83.05025	3.0
89.02457	2.0
101.02437	4.8
109.02914	2.4
113.02504	2.2
123.04534	2.0
125.02428	6.4
137.02422	2.7
151.03990	4.6
165.12808	7.5
183.13890	39.9
184.14264	1.8
197.11703	3.4
209.11835	43.2
210.12117	3.5
211.13399	100.0
212.13756	4.6
227.12843	11.8
235.08212	2.8
245.08275	2.0
253.09299	8.4
289.07150	6.8
355.95563	1.7
447.22147	3.1
453.28909	1.6
463.21628	2.2
591.51276	1.7
648.32318	1.9
657.34906	41.5
658.35150	6.3
684.72028	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	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53233	0.4
53.21862	0.3
53.89356	0.3
57.03445	0.3
58.00599	0.5
59.01377	3.9
61.98831	2.0
70.16696	0.2
71.01382	3.7
72.99308	0.3
73.02938	0.3
75.00813	0.3
80.02653	1.1
81.03458	1.0
83.01392	0.5
83.05025	4.3
84.02149	0.8
85.02944	0.8
87.00847	0.8
89.02437	2.4
95.05039	0.4
97.02958	0.6
97.06607	0.4
98.20657	0.7
101.02444	3.4
102.03650	0.3
105.61441	0.3
109.06526	0.3
111.08102	0.3
113.02437	2.1
119.03497	0.7
123.04462	0.3
125.02438	0.5
125.06005	0.4
134.06146	0.3
135.08163	0.8
143.03484	0.4
145.05034	0.4
151.04085	0.4
155.10854	0.3
161.04555	1.6
163.11295	3.4
165.12820	2.4
167.14432	0.6
171.10219	2.1
177.09215	0.3
179.05542	0.5
181.12265	0.8
183.13892	6.6
184.14258	0.3
191.10776	0.9
193.12305	1.8
197.11731	1.4
199.13374	0.9
209.11816	94.7
210.12169	4.5
211.13379	100.0
212.13747	3.9
223.13318	0.3
224.02119	0.4
227.12875	15.8
228.13217	0.6
235.08202	2.4
241.14328	0.5
249.14928	2.0
253.09283	9.1
289.07260	0.7
313.83304	0.3
322.17038	0.3
385.23935	0.4
403.24881	1.1
421.25937	1.1
439.26855	0.5
445.20831	1.4
447.22385	3.3
448.22629	0.5
463.21878	0.5
621.32892	1.2
639.33789	1.7
657.34387	2.1
688.25537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01377	7.4
61.98812	3.9
69.03445	4.1
71.01382	6.5
71.05042	1.2
71.08858	1.5
79.60323	0.8
81.03474	0.9
83.01376	1.7
83.05019	2.4
84.55580	0.8
85.02940	1.3
87.00846	1.7
89.02431	3.7
95.01447	1.0
97.06586	1.8
101.02451	6.1
109.02940	1.3
113.02420	3.2
123.04522	1.7
123.08177	1.5
125.02441	11.6
125.09682	2.8
149.09744	1.1
151.04008	1.6
151.11249	3.5
153.12840	1.8
161.02429	2.0
161.04503	1.8
161.09636	3.1
163.07599	1.0
163.11253	1.9
165.12811	1.8
169.11006	0.9
169.12328	6.2
171.10275	7.7
177.89015	0.8
179.10780	7.9
181.12311	1.2
183.13864	3.8
197.11824	100.0
198.12115	3.4
199.13329	1.9
207.10181	1.0
209.11823	35.0
209.13789	1.8
210.12042	1.1
211.13390	55.6
211.44449	0.9
212.13773	1.9
227.12875	26.9
235.08159	3.8
241.10675	2.5
249.14923	6.9
253.09319	10.4
341.24469	1.2
353.10284	1.1
369.13461	4.0
403.24863	2.2
421.25769	2.4
445.20837	1.4
447.22241	2.4
463.21768	2.2
477.19629	2.5
487.14099	8.4
488.13586	1.3
495.37210	1.0
505.14755	1.3
531.15863	1.0
621.32947	1.0
639.32629	1.7
657.31201	88.0
658.31433	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	657.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19814	1.1
54.47841	1.0
57.03446	13.5
58.05518	1.1
59.01379	5.4
60.31309	1.1
61.98820	6.1
67.63864	1.2
71.01379	4.6
71.52519	1.1
72.27039	1.2
79.18679	1.0
83.01381	2.7
83.05016	2.6
85.02953	2.3
89.02443	2.6
93.03445	2.8
93.93387	1.2
95.05029	3.3
97.02941	2.9
99.00889	2.0
101.02452	3.6
108.02180	1.6
109.02959	13.5
113.02453	2.3
117.03427	1.4
121.02990	3.6
122.03735	3.0
123.04544	15.4
125.02450	100.0
125.09766	2.3
133.02957	4.5
133.28065	1.2
135.04510	1.3
137.02379	2.5
139.03992	4.1
145.03062	1.4
146.03708	2.2
149.02478	3.4
150.03192	2.3
150.06833	3.3
151.04030	7.5
159.04517	2.7
161.02451	30.3
161.04539	1.3
161.06062	2.9
162.03215	2.6
163.03969	2.6
163.11298	2.9
164.01172	2.9
164.11623	1.2
165.01967	1.4
171.10294	3.6
175.04008	2.8
177.01910	3.2
177.05557	1.9
181.12389	2.0
183.13904	3.6
187.04008	2.0
188.04834	2.9
189.09279	1.4
195.10268	5.4
197.11758	2.1
199.13385	1.7
203.03714	1.1
203.07201	3.0
205.05003	5.2
205.08684	3.4
207.10269	5.3
209.06238	1.3
209.11823	61.5
210.12195	5.7
211.13408	60.6
213.05620	1.3
217.08667	8.9
225.11296	5.2
227.12888	14.8
229.05051	1.4
231.02939	1.2
235.08228	2.3
243.06546	1.3
243.12363	1.7
245.04533	5.7
245.08009	1.7
247.06178	2.3
249.14967	1.9
253.09322	7.4
255.10370	1.6
257.08273	2.4
259.09741	1.9
269.04507	1.5
281.04529	1.5
283.13394	1.3
287.05624	7.8
325.14572	2.9
335.09256	6.9
336.10077	2.8
337.10693	1.7
344.90842	1.2
353.10254	2.3
363.08429	1.8
365.10190	1.5
369.13419	45.6
370.13828	3.9
379.11734	5.9
409.13168	1.4
421.26031	1.5
447.22314	1.7
461.16119	4.0
487.13956	54.2
488.14474	5.2
495.36884	6.5
505.14963	9.6
531.16656	9.1
547.59943	1.2
639.31970	2.7
657.20007	3.0
657.31525	18.4
658.32074	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	657.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80496	1.0
57.03440	3.1
59.01396	5.6
61.98833	23.9
65.66743	1.0
69.29604	2.3
69.30013	7.2
71.01381	3.5
81.03465	4.8
83.01389	7.2
85.02974	1.5
87.00877	1.8
89.02463	2.0
93.03465	4.4
95.01384	1.3
95.05054	3.1
97.02938	5.9
98.20642	2.6
100.19024	1.2
101.02429	2.4
107.05050	1.2
108.02155	2.9
109.02959	26.5
110.03225	1.3
113.02471	1.6
117.03457	2.3
119.08640	2.1
121.02946	6.8
121.06586	5.8
122.03745	3.1
123.04529	21.8
123.39908	1.0
125.02449	18.2
125.09727	2.5
133.02963	5.0
134.03716	1.2
135.04518	3.3
135.08194	1.4
137.02444	26.7
137.09738	2.6
139.03969	5.6
145.02991	1.7
146.03769	1.9
147.04541	1.8
149.02457	7.1
150.03221	2.2
150.06828	7.1
151.04019	13.0
159.04529	4.1
160.05234	1.6
161.02437	35.6
161.06084	5.0
161.09717	13.5
162.03169	3.7
163.00375	2.6
163.03964	2.6
163.07661	9.1
163.11349	1.5
164.01144	4.5
165.01938	4.5
165.09132	1.6
167.03470	2.6
168.57715	1.0
173.06036	2.3
175.03970	6.4
175.07559	2.1
176.01115	2.1
177.01918	3.7
179.03493	5.7
179.10762	2.6
185.06067	1.9
185.11803	1.3
187.03998	6.3
188.04832	5.4
189.02013	1.6
201.05580	1.7
202.06345	2.3
203.07155	15.3
205.01399	2.9
205.05072	11.0
205.08688	55.7
206.05397	1.8
206.09003	2.9
207.10365	1.2
209.11754	6.3
211.13382	5.0
212.61478	1.0
213.05635	1.1
217.08592	2.0
221.08205	3.2
225.05554	1.1
225.11353	2.9
227.07149	3.2
227.12967	2.5
229.04979	1.2
231.02850	1.6
231.10152	3.7
245.08182	20.0
247.06184	2.3
255.10220	2.4
257.08160	2.5
267.35519	1.3
281.04498	4.6
289.07181	100.0
290.07529	6.3
299.05624	5.3
307.06235	1.3
325.10730	3.0
329.06622	2.1
335.09296	3.5
336.09985	1.4
349.10672	1.9
353.10300	10.4
365.10175	2.8
367.11798	15.6
385.62155	1.1
395.78009	1.3
409.08966	1.2
451.10294	19.9
452.10751	2.6
480.34097	1.5
487.13989	56.4
488.14279	5.6
494.36102	5.0
495.12958	1.9
495.37024	16.1
503.27325	1.3
505.15076	23.0
506.15475	4.0
639.19965	1.8
639.30438	4.3
657.19861	11.6
657.31696	4.1
657.41748	2.1
658.20276	2.3
680.34180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
58.12360	1.2
59.01387	7.0
61.98829	16.7
68.99823	1.7
69.03463	2.6
71.01384	7.2
71.52528	2.1
78.64264	1.3
81.03455	2.6
83.01384	7.4
85.02951	2.1
89.02441	1.8
93.03468	3.1
95.01418	2.1
95.05025	3.4
97.02412	1.1
97.02936	7.2
99.00886	1.4
101.02437	3.7
107.04986	1.9
108.02161	2.6
109.02946	32.6
109.06636	1.7
113.02426	2.9
117.03493	1.2
119.05013	1.8
119.08636	2.8
121.02961	6.6
121.06583	8.0
121.20345	1.1
122.03731	2.5
123.00925	1.5
123.04521	24.1
123.08163	1.3
124.01638	2.6
124.04897	1.2
125.02448	18.1
125.09711	5.7
133.02950	5.4
135.04533	4.9
137.02432	27.9
137.09695	3.1
139.04012	8.2
145.02995	3.0
145.95410	1.3
146.03720	1.9
147.04498	1.6
149.02423	9.9
149.06189	2.0
150.03217	3.0
150.06876	10.8
151.03992	12.2
152.89973	1.4
159.04469	2.9
160.05246	3.0
161.02449	35.2
161.04485	1.7
161.06067	6.4
161.09727	14.2
162.03105	3.4
163.00371	1.8
163.04016	4.7
163.07646	6.4
164.01111	4.4
164.08479	1.9
165.01973	6.7
165.05597	1.7
167.03488	1.4
171.10269	2.7
175.04010	6.9
175.07626	2.0
176.01183	3.5
177.01920	3.8
179.03508	7.1
179.10765	4.2
183.13855	2.4
185.06110	3.0
185.11794	4.9
187.04021	6.5
187.07637	1.5
188.04776	5.1
189.01868	4.0
190.06372	1.4
195.10284	1.9
197.11859	1.9
201.05586	2.2
202.06332	2.0
203.03555	2.3
203.07176	14.5
205.01337	2.1
205.05287	11.1
205.08681	94.7
206.09024	3.8
207.10223	3.1
209.11780	15.8
211.13387	17.2
215.03438	2.8
216.04257	2.1
217.05066	1.8
217.08667	2.7
221.08162	2.6
225.11208	3.1
227.03267	1.4
227.07030	2.7
227.12895	9.7
231.10127	1.7
244.07364	9.6
245.04512	2.2
245.05550	1.8
245.08151	27.3
253.09323	3.8
255.10320	2.8
257.08136	2.1
281.04443	2.9
289.07166	100.0
290.07431	8.8
299.05588	8.6
301.07162	1.8
309.11331	2.6
325.10901	4.3
329.06586	2.7
335.09006	2.9
336.09625	1.8
339.08731	3.2
341.06696	2.3
349.10834	3.4
353.10242	5.2
365.10147	1.8
367.11835	19.1
368.12567	1.8
451.10266	15.9
461.15872	2.6
480.34476	2.2
487.13983	45.2
488.14282	5.3
494.36121	2.8
495.36990	18.8
505.15012	25.1
506.15683	2.1
639.30347	2.0
657.19653	4.0
657.31464	8.9
657.40765	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	657.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65289	1.4
57.03436	1.9
59.01362	7.1
59.40159	1.6
60.07397	1.6
61.98832	41.9
71.01388	4.6
72.99316	1.7
73.02958	1.9
74.06905	1.6
81.03417	1.8
83.01418	2.8
86.12403	1.5
86.35733	1.7
87.00868	2.4
88.98774	2.1
89.02456	2.3
89.03998	1.5
93.03468	2.4
95.01407	1.7
95.05026	4.7
98.20606	2.6
101.02451	2.6
108.02188	2.4
109.02938	16.8
111.00906	1.6
119.05038	1.7
121.02985	4.4
122.03755	3.3
123.04527	26.9
125.02443	12.0
133.02963	4.1
135.04514	2.3
135.78128	1.5
137.02466	5.2
139.03989	2.5
143.04774	2.0
145.02960	3.5
149.02467	6.1
150.03172	1.8
151.04021	11.3
159.04456	2.6
160.01599	8.7
161.02478	10.4
163.00383	2.8
163.03989	4.6
164.01135	2.2
165.01863	2.8
173.02368	1.7
174.03236	3.5
175.04007	3.5
177.01921	19.6
183.04495	1.9
185.02426	1.7
185.06102	1.9
186.03278	2.5
187.00296	4.3
187.03993	3.5
188.04654	2.1
188.15993	1.7
189.01897	12.3
190.02702	2.3
191.03566	8.1
197.06013	2.0
199.04008	1.7
201.01877	2.8
201.05605	2.4
202.02730	4.6
202.99873	2.3
203.03485	2.2
205.05008	1.7
211.03908	3.4
213.05553	3.7
214.02684	2.5
215.03531	9.1
216.00653	10.7
217.01347	9.4
225.05621	5.9
227.03488	4.6
227.07002	2.6
228.04205	2.0
229.05081	1.9
231.02962	4.2
237.05499	2.3
239.03542	2.7
240.04282	2.8
241.05043	6.2
242.05878	4.0
242.99248	3.2
247.99663	1.8
249.05132	1.6
253.05013	6.3
255.03003	11.2
255.06377	2.5
256.03772	3.7
257.04587	3.5
258.01614	3.9
263.03580	1.8
265.05072	3.0
267.03027	5.7
267.06601	3.9
268.03732	4.9
269.04544	28.5
270.05331	17.1
271.06061	6.3
279.02951	2.9
279.06760	1.7
280.03720	3.6
281.04501	14.4
282.05212	2.7
283.02615	3.7
285.03946	1.4
289.07260	6.2
293.04489	8.6
294.05237	3.3
295.02496	5.3
295.06033	3.3
296.03168	5.4
296.06580	2.1
297.04037	18.0
298.04636	2.8
299.05579	2.3
302.04361	2.4
305.04266	1.6
309.03970	6.9
310.04807	2.3
311.05756	4.9
312.06454	2.4
321.04028	6.2
323.02191	2.5
323.05701	4.5
325.03491	3.7
327.04977	2.6
333.12689	1.6
335.05704	3.1
339.05142	2.9
341.06668	23.7
347.02161	2.2
367.04559	45.2
368.04950	4.8
407.07507	8.1
419.07614	15.0
443.07837	4.8
445.09326	2.5
447.07144	12.2
449.08759	11.6
452.10324	1.6
459.96497	1.8
461.08707	14.9
463.10422	18.5
464.10654	2.6
489.08279	5.6
569.14392	4.1
571.12415	96.5
572.12750	12.3
595.12384	17.9
596.12579	2.7
613.13440	100.0
614.13690	12.4
657.12683	11.5
657.23529	2.3
657.37006	2.3
658.12445	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	656.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47278	0.5
60.25822	0.5
61.98840	1.1
65.26732	0.5
70.01117	2.0
75.95735	0.5
78.80721	0.5
78.95462	0.4
78.95901	10.0
98.19944	0.8
99.02785	0.5
107.77672	0.5
116.73119	0.5
122.00127	0.9
122.09000	0.5
140.01190	3.6
152.99548	0.9
175.63046	0.6
181.12369	1.2
196.03764	2.4
199.13391	100.0
200.13730	4.3
201.29248	0.5
219.76768	0.5
277.21716	28.4
278.22021	1.5
392.92233	0.5
396.17798	0.7
456.25497	0.8
474.26291	2.7
656.39429	9.9
657.39697	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	656.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13335	0.2
52.99408	0.2
54.50457	0.2
59.01382	0.8
61.98829	100.0
71.01389	0.4
71.21280	0.3
83.99883	0.2
85.02937	0.2
87.00928	0.2
88.98804	0.3
101.02451	0.3
109.02977	0.2
113.02481	0.3
125.02410	0.4
137.02495	0.4
142.10732	0.2
145.02992	0.3
151.04024	0.2
161.02460	0.4
167.03481	0.4
190.02751	0.3
205.05106	0.3
205.08894	0.2
223.13397	0.2
289.07205	0.7
304.19556	0.2
397.13516	0.3
487.14230	0.7
593.26221	0.5
621.28705	0.3
657.26013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92380	0.7
57.03444	0.9
58.00596	1.2
59.01383	22.5
61.98831	39.1
71.01379	12.5
71.51758	1.0
71.52120	0.7
72.99312	1.6
75.00879	1.1
83.01403	0.7
85.02955	3.1
87.00909	0.8
89.02441	9.5
95.01424	0.9
101.02461	5.5
109.02986	0.8
112.04045	0.9
113.02451	3.7
116.38464	0.8
117.03432	5.9
119.03501	2.5
123.04507	0.8
125.02451	2.4
131.01419	1.7
137.69379	0.8
151.04085	1.2
161.02411	2.0
163.03946	1.0
173.02441	4.4
175.00345	8.1
177.01939	1.2
191.05273	0.8
207.01224	3.0
208.01437	1.5
239.31143	0.9
249.05870	1.6
255.07018	0.8
265.04871	1.1
269.04523	3.1
281.04453	2.4
282.05334	5.8
283.06155	2.9
289.07202	0.8
293.04556	98.4
294.04916	7.6
295.06003	1.0
311.05658	6.4
314.04132	1.2
323.05695	2.8
327.05042	3.1
335.05679	1.6
341.06461	2.1
357.06268	1.5
413.08752	41.9
414.09064	3.2
447.09387	2.9
473.10776	2.1
530.58270	0.9
587.46863	0.8
593.15100	100.0
594.15515	11.9
656.25153	3.4
657.26282	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	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
58.00596	0.9
59.01383	16.1
61.98832	31.5
71.01385	9.6
71.69369	0.8
74.91253	0.7
85.02945	1.5
89.02465	5.5
93.03455	0.9
95.38506	0.8
98.20722	2.6
101.02448	3.2
109.50807	0.9
113.02438	2.3
117.03462	7.8
119.03528	2.2
125.02448	1.4
126.70770	1.0
161.02412	1.1
164.38174	0.7
173.02460	4.8
175.00380	6.9
207.01140	1.3
230.81883	1.2
249.05725	1.8
269.04553	2.4
281.04541	2.5
282.05371	2.8
283.06146	2.3
293.04562	100.0
294.04865	5.9
295.06088	1.3
311.05576	5.5
314.04208	1.8
323.05594	2.0
327.05093	1.7
335.05530	1.3
341.06512	1.3
413.08722	35.3
414.09091	1.9
447.09296	1.3
473.10995	2.3
476.17902	1.0
490.47491	0.9
593.15106	89.0
594.15283	10.4
656.25055	2.0
657.25897	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	656.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31089	2.7
55.22813	2.2
55.63287	2.5
57.03445	3.2
58.35669	2.2
59.01374	8.2
59.05927	2.4
61.98832	100.0
71.01378	3.6
89.02420	2.9
96.47643	2.3
97.02921	3.3
101.02430	5.8
103.72663	2.6
109.02938	8.1
113.02473	3.0
119.01025	2.4
121.02950	23.8
123.04526	8.4
125.02445	16.5
125.09709	4.2
134.09149	2.6
135.04514	2.7
137.02473	4.5
151.04012	12.5
161.02528	4.9
163.11241	3.2
197.11879	3.7
207.10255	8.9
209.04466	12.8
209.11761	16.9
211.13405	40.5
212.13661	9.8
223.13383	4.8
225.11308	20.7
227.12869	9.9
228.96948	3.2
235.08044	2.5
243.12170	3.3
245.08174	3.5
253.09592	2.9
269.22906	3.0
289.07169	21.8
339.18240	2.8
572.82715	2.9
593.12878	13.5
632.51849	2.8
638.98151	2.6
655.33020	9.5
656.33234	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.3
59.01374	23.1
61.98824	14.8
64.41908	2.4
67.74806	2.5
69.03444	2.8
69.45029	16.2
71.01384	18.5
73.02974	3.5
83.01398	4.3
83.05025	4.5
85.02933	8.1
85.82114	2.3
87.00876	7.3
89.02438	7.1
93.03372	2.5
95.05042	3.5
97.02938	7.5
101.02454	14.1
109.06588	27.7
110.03717	2.2
112.01737	2.2
113.02441	9.3
119.03473	2.7
123.08102	2.5
125.02484	3.1
125.09701	8.3
132.15909	2.4
135.08192	4.9
145.05022	2.2
161.04584	5.7
161.09702	4.2
163.07639	2.1
163.11296	16.6
171.10213	4.5
181.12341	6.7
183.13875	8.0
183.35220	2.1
185.11823	23.7
193.12399	4.0
197.11847	2.7
205.12210	3.5
207.10257	74.6
208.10590	4.1
209.11830	12.3
211.13385	86.7
212.13741	2.8
221.15347	4.2
223.13249	3.6
225.11304	39.8
226.11737	2.5
231.13947	4.7
235.08150	8.2
251.12857	4.5
253.09190	11.4
297.39899	2.2
299.14859	3.2
313.25305	2.4
339.23264	8.8
355.22787	3.1
357.24588	3.8
373.24084	13.6
375.21136	3.6
383.22217	26.7
391.24802	9.4
401.23389	50.9
402.23709	3.8
419.24387	23.3
443.18924	4.0
447.22171	3.6
461.20215	13.8
475.26654	3.3
514.39014	2.5
517.36517	2.9
609.32813	6.0
611.30865	3.6
619.31042	10.4
627.34052	3.9
637.32190	100.0
638.32587	10.9
655.33038	36.9
655.43146	2.6
656.34259	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	655.2975
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
50.81825	0.5
55.01893	0.7
57.03452	1.3
59.01379	6.9
61.98835	2.4
64.60036	0.4
69.03456	4.9
71.01386	6.1
71.05019	1.5
71.52103	0.6
72.86532	0.5
73.02940	1.4
73.30981	0.4
83.01381	1.4
83.05032	1.1
83.20269	0.5
85.02969	1.7
87.00885	1.3
89.02431	3.0
93.03448	0.6
95.01360	0.7
95.05029	0.6
97.02965	1.4
97.06580	1.3
99.00871	0.8
101.02438	4.4
109.06612	2.1
113.02487	2.4
115.39649	0.5
119.03522	0.6
123.08171	1.7
125.02370	0.6
125.09714	2.8
129.54596	0.5
133.10234	2.1
145.05095	0.7
149.09702	3.2
151.11298	5.6
153.12894	1.4
161.04529	1.3
161.09729	4.7
163.11252	0.8
167.10760	3.4
177.09152	3.1
179.10751	8.7
185.11815	2.2
195.10265	61.2
196.10646	2.4
197.11826	65.3
198.12170	2.0
207.10252	3.6
207.11917	0.5
209.11856	1.9
211.13379	7.9
211.16481	0.7
223.09851	0.9
225.11346	3.5
235.08183	1.5
241.10828	3.2
253.09285	4.7
339.23508	0.7
373.23703	0.6
375.21567	0.6
383.22058	1.7
401.23166	3.5
419.24356	1.4
459.18314	0.8
461.19980	0.8
477.19598	2.5
609.32428	1.1
611.30280	0.6
628.55957	0.6
637.32275	6.5
638.32471	0.8
655.29681	100.0
656.30048	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12674	1.5
59.01380	19.9
59.15654	1.5
61.98829	21.4
65.89059	1.6
66.10620	1.6
68.91060	1.9
69.03443	2.5
70.37593	4.3
71.01070	1.6
71.01380	18.6
73.02936	4.7
81.03461	3.8
81.91484	1.6
83.01390	2.1
83.05020	2.9
85.02939	5.8
87.00861	5.1
89.02460	9.0
92.24568	1.6
95.01381	2.5
95.05009	3.1
97.02954	5.2
97.06567	3.9
99.00871	2.1
101.02448	14.6
107.05032	2.3
109.05997	1.9
109.06598	18.8
113.02427	7.3
119.03496	2.3
121.06623	2.6
123.04526	3.5
123.08115	1.7
125.02448	2.1
125.09689	6.3
135.08192	4.4
136.05307	2.7
143.03517	1.8
145.05069	2.4
149.09799	2.0
150.06877	3.8
151.04053	2.7
151.11319	2.8
161.04535	5.4
163.11272	12.1
171.10286	3.5
179.10786	3.6
181.12378	4.0
183.13867	10.3
185.11827	18.8
187.14572	1.7
195.10266	13.5
197.11838	13.4
203.14378	2.2
205.12314	3.0
207.10258	50.2
207.13425	2.0
208.10585	2.7
209.11816	14.9
211.13393	100.0
212.13687	3.4
221.15379	3.5
225.09200	3.0
225.11320	34.2
226.11526	2.3
227.12758	3.3
231.13815	1.9
233.11765	2.4
235.08250	7.9
247.13454	3.6
249.15021	2.0
251.12854	6.6
253.09225	9.6
261.14926	1.7
266.50354	1.9
329.24750	3.3
337.21561	2.5
339.23199	7.7
355.22668	3.2
373.23779	8.7
383.22311	24.0
384.22559	2.4
391.24945	10.2
401.23373	43.5
402.23502	4.8
419.24335	18.8
443.19235	2.0
447.22092	3.0
461.20065	8.7
493.28250	3.8
493.35257	5.0
609.32581	7.6
611.32312	1.9
619.31146	8.8
627.33679	2.4
637.32281	88.9
638.32898	8.9
655.32825	46.8
656.32196	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	654.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.12089	1.4
98.19925	3.3
105.71423	1.3
130.22537	1.2
187.69797	1.4
254.74275	1.3
419.70450	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	655.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	5.1
58.57980	1.5
59.01385	100.0
60.69960	1.3
61.98826	3.2
69.48380	4.0
69.48795	5.6
71.01385	9.3
72.99316	28.0
73.02953	2.7
75.00875	6.6
79.95724	1.5
83.60093	1.1
84.99310	5.2
85.02939	5.9
87.00881	49.3
88.98757	1.4
89.02452	5.3
101.02436	5.3
103.00378	33.3
109.02960	2.8
109.27531	1.4
112.98821	83.6
113.02458	5.1
113.99142	1.8
119.03517	2.0
121.02959	4.9
122.03736	4.8
128.37788	1.4
130.98975	2.1
130.99873	17.7
135.04504	1.9
137.76596	1.3
147.04500	2.6
149.00919	1.3
164.07010	1.3
165.05577	10.2
179.07072	2.4
190.76938	1.4
198.71495	1.3
207.01231	11.8
313.14478	1.9
343.15717	2.6
346.14252	4.1
361.16553	40.5
362.16727	2.8
447.09274	1.6
455.56793	1.5
523.21875	97.3
524.22058	11.0
655.22443	77.5
656.22668	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	654.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98830	100.0
62.98534	0.1
63.66414	0.1
68.55703	0.1
69.20980	0.4
69.21410	0.6
69.94170	0.1
71.01389	0.2
72.99322	0.1
74.84239	0.1
83.01414	0.1
87.00880	0.2
88.98811	0.2
133.02943	0.2
135.04613	0.1
164.04733	0.1
190.02705	0.2
191.03386	0.1
205.05299	0.1
265.07281	0.2
285.03796	0.2
297.04291	0.1
306.48224	0.1
309.49353	0.1
327.05026	0.8
328.05411	0.7
358.06503	0.2
385.11554	0.2
522.34094	0.2
526.92944	0.1
654.15527	0.2
654.35199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42450	1.4
60.39916	1.5
61.98830	100.0
64.76517	1.5
70.37653	1.5
70.38006	5.1
76.90715	1.4
84.72622	1.6
85.07037	1.5
86.64343	1.5
87.04156	1.4
88.17391	1.6
98.19955	1.7
104.53886	1.7
176.63683	1.5
191.94453	1.5
256.25388	1.6
462.94861	1.6
518.22479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40554	5.3
55.54464	4.5
58.43663	4.9
59.01372	20.4
61.98834	62.1
71.01369	8.5
71.51598	6.3
73.28707	5.4
85.02971	6.0
95.55643	6.3
101.02417	9.2
106.43920	4.6
171.10211	9.2
177.03325	6.1
209.11786	9.5
223.13434	6.3
253.09329	5.7
277.67804	5.2
500.56689	6.5
607.94464	7.2
647.66217	6.2
653.32135	18.1
653.43927	100.0
654.33911	6.0
654.44525	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	654.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17984	0.3
58.38023	0.3
67.22105	0.3
69.87133	1.1
75.07852	0.3
78.38123	0.3
79.95742	18.3
80.59453	0.3
80.96524	10.1
93.97311	1.0
98.20612	0.4
104.70884	0.3
106.98111	2.4
109.97538	0.3
124.00754	46.7
134.03764	0.5
149.98692	0.6
160.01669	0.8
160.05302	0.7
190.14568	0.3
203.05833	1.5
204.06670	1.3
241.51291	0.3
284.02243	0.5
285.03134	14.1
286.03519	0.7
300.05481	100.0
301.05841	4.1
302.05432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06647	0.2
52.14962	0.2
54.24241	0.2
64.96995	0.3
68.11650	0.2
70.52644	0.7
79.95729	9.5
80.96504	1.4
106.98135	0.5
112.16463	0.2
124.00739	100.0
125.01060	0.4
154.57903	0.2
168.36568	0.2
173.04517	0.3
178.10677	0.2
179.03450	0.2
285.03195	0.7
300.05450	46.7
301.05783	2.2
566.76471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03438	0.8
58.00595	1.9
59.01381	39.5
61.98821	1.0
68.99821	0.7
69.03455	2.4
71.01382	34.9
72.99311	2.3
73.02951	5.6
75.00873	0.7
81.03448	1.6
83.01384	3.8
85.02954	8.0
87.00877	9.2
87.04569	0.4
89.02446	31.8
91.04017	1.0
93.03462	0.5
95.01399	2.8
97.02948	6.3
99.00877	2.1
99.04545	0.3
101.02444	30.3
103.04038	0.3
110.72601	0.4
111.00908	0.5
111.04518	1.3
113.02454	16.3
115.03991	1.0
119.03500	11.9
121.02936	0.7
123.04492	0.5
125.02451	13.8
127.04086	0.5
131.03494	1.5
133.05080	1.2
139.04005	1.2
141.01932	1.1
143.03499	5.8
149.02472	0.4
149.04547	1.0
161.04567	7.9
167.03496	1.0
169.05084	0.6
179.05608	7.7
185.04564	0.8
190.95976	0.3
199.06096	0.5
203.05597	0.4
217.07179	1.3
220.18690	0.3
221.06671	1.7
235.08220	15.4
236.08563	0.4
245.06593	1.0
253.09306	3.7
255.23297	100.0
256.23633	5.9
263.07800	1.6
269.24835	0.7
277.09253	1.3
287.07791	3.7
305.08813	4.3
323.09799	1.5
361.11502	0.5
379.12286	1.5
397.13504	92.3
398.13803	4.8
415.14569	34.8
416.14972	1.7
653.37390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03441	0.9
58.00599	1.8
59.01378	41.4
60.01721	0.3
61.98816	0.4
68.99813	0.5
69.03462	2.2
71.01379	33.3
72.99303	2.7
73.02950	6.2
75.00877	0.6
81.03460	2.1
83.01385	4.5
85.02949	7.6
86.00150	0.3
87.00877	9.1
87.01382	0.6
89.02441	35.4
91.04006	1.0
95.01395	3.1
97.02952	5.6
97.31922	0.3
99.00876	2.7
101.02441	29.2
109.02963	0.8
111.00883	0.9
111.04537	0.9
113.02451	15.2
114.02770	0.4
115.04017	0.8
119.03503	11.0
121.02929	0.7
124.01669	0.6
125.02451	13.0
127.04025	0.8
131.03484	1.4
133.05078	1.0
137.02419	0.5
139.03995	1.0
141.01913	1.0
143.03496	6.0
149.04555	1.1
149.98886	0.3
161.04546	7.5
167.03479	0.8
169.05043	0.6
179.05609	6.8
185.04529	1.0
199.06064	0.6
203.05676	0.8
211.54999	0.4
217.07184	1.3
219.05066	0.6
221.06644	2.8
227.05690	0.5
228.48538	0.3
229.88515	0.5
235.08211	14.1
245.06647	1.0
253.09325	3.4
255.23277	100.0
256.23615	6.6
263.07736	2.2
269.24896	0.9
277.09323	1.2
287.07736	3.4
305.08795	4.3
323.09760	2.1
361.11313	0.7
379.12427	0.6
397.13483	87.2
398.13852	4.6
415.14536	32.9
416.14810	1.6
519.76996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01379	4.7
61.98829	4.2
67.45819	0.3
69.03443	2.0
69.95949	0.3
71.01376	3.3
71.05025	0.6
71.51357	0.4
72.02112	0.3
72.99294	0.3
73.02926	0.7
73.50993	0.3
82.77997	0.3
83.01386	0.4
83.05010	0.5
85.02972	0.7
85.06597	0.4
87.00874	1.1
89.02437	2.0
93.34770	0.3
95.05051	0.4
101.02448	3.4
109.06592	0.4
113.02441	1.3
119.03440	0.5
125.02442	0.3
143.04620	0.5
145.05095	0.7
149.09775	0.5
155.10701	0.3
161.04578	1.1
165.12946	0.3
167.10806	2.5
167.14307	0.4
177.12798	0.6
179.05652	0.7
179.10803	0.8
179.14386	2.3
183.13879	6.5
184.14262	0.4
193.12306	1.4
195.13901	7.9
197.11674	0.5
197.17863	0.3
205.12321	8.2
206.12532	0.3
211.13382	100.0
212.13734	3.7
214.88492	0.3
215.49529	0.4
216.24358	0.3
223.13379	80.5
224.13734	2.7
235.08229	3.5
253.09300	7.5
338.63831	0.3
355.26321	0.5
373.23843	0.5
399.25360	1.2
404.42996	0.3
417.26297	1.3
429.21371	0.7
441.21304	1.1
447.22360	5.1
458.17706	0.3
459.22333	9.3
459.28580	0.7
460.22504	0.9
635.33972	1.5
652.82855	0.9
653.34668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.6
61.54534	2.4
61.98541	3.4
61.98832	50.0
62.82293	2.2
66.32594	2.2
71.01380	13.6
71.52959	2.1
72.22252	2.3
72.99323	15.2
73.02933	3.3
75.00875	5.5
78.74432	2.6
84.43992	2.6
85.02957	4.5
87.00886	18.0
88.98811	2.7
89.02437	4.8
96.68887	2.9
101.02431	6.9
112.98775	3.2
113.02427	5.1
125.09702	3.0
130.99905	2.6
175.02499	2.3
175.03931	2.8
178.08672	2.5
190.02711	2.3
192.94185	2.1
209.11754	6.4
225.11252	5.0
238.99689	2.5
302.92090	2.3
341.26801	2.8
359.27969	13.4
417.23035	2.7
457.03772	2.5
521.25104	3.6
521.33221	66.2
522.33588	7.4
551.10199	2.5
632.82703	2.6
653.33527	100.0
654.34253	13.0
663.25891	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	653.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.8
59.01381	36.0
61.98831	14.7
69.17047	10.9
70.10029	1.1
71.01362	4.2
72.98951	1.6
72.99314	21.9
75.00889	6.1
85.02932	2.7
87.00883	26.7
87.14944	1.1
88.98843	1.3
89.02449	2.2
93.03474	1.2
98.10916	1.3
99.00876	1.2
101.02432	2.5
103.00380	9.5
112.98194	1.1
112.98827	12.7
119.45162	1.1
130.99864	5.2
139.95961	1.0
149.00868	1.2
181.04543	1.1
192.23935	1.0
205.04956	1.2
215.12894	1.2
285.03961	1.8
311.25720	2.0
313.23749	7.0
341.26877	3.1
359.28024	100.0
360.28424	8.9
491.28595	67.1
492.28891	4.5
521.25549	1.5
521.33020	2.4
533.29614	4.9
653.33813	68.8
654.34393	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	653.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96403	0.8
63.03592	0.2
75.94344	0.2
78.95905	100.0
92.15468	0.3
96.96942	0.3
113.08081	0.2
125.09696	0.3
136.13333	0.2
149.00098	5.6
179.01088	0.3
205.15999	2.2
210.96622	0.3
229.11061	0.3
240.23010	0.3
285.12579	3.8
353.84210	0.3
355.16837	2.0
385.17914	1.3
417.12225	0.5
447.13501	5.6
448.13605	0.4
471.02521	0.3
653.30109	54.2
654.30432	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	653.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52007	1.2
51.91138	1.2
58.00585	4.8
58.02976	4.5
59.01377	100.0
60.99296	2.3
61.98826	14.1
69.90237	5.9
71.01376	23.9
72.99310	16.1
73.02926	2.7
74.02477	7.8
75.00869	2.1
78.95882	2.2
82.02938	1.3
84.99297	4.9
85.02951	4.8
85.66690	1.3
86.02462	2.3
87.00870	28.3
88.98804	11.4
89.02441	33.0
95.01372	2.4
96.96018	4.5
97.04051	1.5
99.00890	1.5
99.05640	5.6
101.02439	14.4
103.00367	35.1
108.04557	9.2
112.98809	84.2
113.02454	15.6
116.92843	2.5
118.02972	1.8
119.03485	16.4
125.02426	1.5
125.03548	3.8
127.05174	2.7
128.03542	21.1
130.99854	13.8
131.03528	2.8
134.03613	1.6
135.05586	2.3
143.03470	6.0
143.04608	18.0
145.02902	2.8
149.00911	7.2
149.04523	2.7
160.01669	2.3
161.04536	6.2
167.04675	2.0
167.08304	1.8
170.03316	1.4
173.04527	2.3
175.02560	1.6
175.03949	2.0
177.01866	1.4
179.05743	25.8
181.06253	1.5
184.07678	1.6
192.07881	2.2
210.08818	5.1
218.06393	5.7
236.89238	1.4
254.07759	10.9
255.10275	2.4
267.06979	2.4
272.08899	12.9
283.09775	11.7
295.09952	1.7
298.12024	2.8
310.12216	1.4
311.05728	2.5
311.09259	35.3
312.09680	2.5
325.10748	4.8
326.11548	31.1
327.11902	2.2
341.13910	52.8
342.14169	4.3
362.11746	2.2
389.25226	1.7
473.14703	9.9
476.16818	1.6
491.15805	29.4
492.16608	2.2
503.19073	6.0
518.80627	1.6
521.20215	4.1
533.17230	1.8
622.78381	1.6
623.23126	3.7
635.22986	2.0
653.21112	26.3
653.33386	4.7
654.21234	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	653.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	3.8
59.01377	90.7
61.98835	1.6
69.30237	5.0
69.30659	1.6
71.01379	6.8
72.99305	37.8
73.02950	1.2
75.00865	5.6
83.91573	0.8
84.99311	2.1
85.02959	1.4
86.32165	0.9
87.00875	33.5
88.98787	1.6
89.02450	11.0
99.00831	1.3
101.02448	4.0
103.00376	31.0
112.98805	26.3
113.02415	2.9
119.03481	3.4
124.24161	0.8
125.02368	0.9
130.99866	11.7
143.03470	1.5
145.02928	0.9
146.06044	0.9
149.04546	1.2
161.04526	1.9
179.05594	7.8
180.39127	0.9
221.57529	0.8
223.09766	1.8
265.08591	1.0
280.07217	1.6
283.09769	6.6
293.08066	1.8
295.09744	1.8
296.10745	0.9
297.11212	1.2
298.12061	1.3
311.09241	16.0
311.12857	1.7
312.09680	1.5
325.10822	2.5
326.11548	19.1
327.12112	2.1
341.13931	29.1
342.14160	1.5
343.11734	0.9
381.09692	0.9
396.12024	3.1
411.14368	8.2
473.14581	15.2
474.14740	1.7
488.79892	0.8
500.59924	0.9
623.22253	1.0
653.20825	100.0
654.21088	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	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.8
59.01385	100.0
59.46124	1.9
61.98838	1.8
71.01385	4.2
71.52222	2.2
72.99317	38.5
73.02929	2.7
75.00871	5.2
78.13285	1.3
84.62728	1.2
84.99313	3.6
85.02949	2.2
85.41743	1.2
85.61486	1.4
87.00883	43.0
88.98801	1.8
89.02457	1.7
89.06847	1.5
96.96046	2.0
99.00823	1.3
101.02461	2.0
101.31615	1.4
103.00384	48.0
104.73635	1.3
106.72215	1.3
109.02904	1.6
112.98824	46.6
113.02441	2.2
113.57884	1.4
114.29543	1.5
117.20048	1.2
125.02455	1.5
130.99869	13.4
131.07133	1.8
135.04556	2.9
137.02380	1.5
140.50026	1.4
149.00926	3.0
149.02628	1.3
151.00189	1.4
163.57118	1.3
165.04115	1.5
185.08617	1.4
212.33870	1.5
251.62648	1.6
269.08148	4.6
281.08286	2.1
283.09814	2.2
299.09161	4.2
311.09186	6.7
314.11606	8.6
325.10468	1.3
326.11432	6.7
329.13947	34.3
330.14288	3.0
341.10376	1.7
341.14001	22.8
359.14932	6.1
384.12045	2.1
396.11978	2.1
399.14340	4.2
411.14499	4.8
429.15771	1.3
442.76797	1.4
461.14594	3.9
491.15564	6.3
543.58606	1.6
547.30591	1.6
579.39697	1.4
653.20862	79.9
654.21613	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	653.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54681	0.2
59.01383	2.1
61.98830	1.0
62.80590	0.2
63.02392	1.9
65.00337	1.3
69.85183	1.4
72.99313	0.8
73.02943	0.3
83.01395	1.2
85.02979	0.4
87.00903	0.6
89.02444	0.4
90.36942	0.3
91.01899	0.5
93.03443	0.7
96.96011	0.4
96.96914	0.4
98.20057	0.5
101.02473	0.4
105.03447	0.3
107.01398	2.7
109.02956	1.0
112.98814	0.4
119.01395	1.3
121.02988	1.5
125.02399	0.4
132.02188	0.3
133.02968	6.9
134.03748	1.1
135.04504	0.8
137.02405	0.4
147.00911	0.9
147.04488	0.5
148.01666	0.8
149.02464	3.6
150.03290	2.0
151.00388	5.3
161.02463	0.3
163.03981	0.7
164.04814	0.9
165.05563	0.6
171.04491	0.4
175.00375	5.5
175.03989	2.8
176.01154	6.8
177.01941	1.0
183.04471	0.4
185.06133	0.7
189.02026	0.3
189.05553	0.5
190.02737	10.6
191.03506	9.4
192.04050	0.4
193.05000	0.3
194.02142	1.0
195.02983	0.4
196.10548	0.3
197.06038	0.4
198.03220	0.5
199.04065	2.5
200.57916	0.3
201.01981	0.6
205.05083	4.2
208.03650	0.5
209.04509	2.2
211.04008	1.0
213.05582	0.5
215.03423	0.6
217.05081	1.5
223.06044	0.6
227.03542	1.5
228.04013	0.3
229.04893	0.3
239.03500	0.5
241.05046	0.8
243.02983	1.0
251.05663	1.1
255.02957	2.2
256.03748	2.5
257.04593	0.4
267.02835	0.4
268.03708	0.4
269.04764	0.3
269.07861	0.3
272.75949	0.3
283.02484	1.0
284.03281	42.2
285.04050	100.0
286.04413	4.9
297.04047	0.6
299.05618	21.1
300.05984	1.1
303.05258	0.3
313.03574	0.5
325.82831	0.3
327.05078	1.0
353.08804	14.6
354.09079	0.6
405.18655	0.3
429.07758	0.3
447.09390	0.8
521.33105	0.5
653.15179	72.7
654.15546	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	653.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.7
60.99009	1.1
60.99310	17.7
61.98830	0.9
64.23461	0.5
70.99843	1.2
71.00194	0.6
71.01385	4.0
85.02914	0.6
87.00866	0.5
87.44219	0.6
88.98807	100.0
89.02453	2.0
101.02466	0.5
113.02479	1.1
117.03491	1.5
122.55824	0.5
128.24820	0.5
141.92580	0.5
151.00441	0.7
154.56064	0.6
163.04251	0.5
173.02353	1.0
175.00334	1.9
206.82367	0.6
269.04443	0.7
282.05350	1.2
283.06149	0.7
293.04562	27.8
294.04938	1.6
311.05624	1.7
313.07831	0.6
323.05722	0.8
341.06891	0.7
413.08743	11.3
414.09451	0.9
443.09457	0.7
457.55402	0.6
477.26498	0.6
521.22711	0.6
563.14056	28.4
564.14014	2.6
612.63977	0.6
653.22168	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	652.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03440	4.4
59.01381	50.2
61.98832	49.9
71.01385	22.3
71.44542	2.0
72.99304	5.1
73.02938	6.0
75.00883	2.0
83.01369	3.9
85.02961	11.8
87.00867	10.4
88.98829	3.8
89.02431	7.0
91.07380	1.4
95.01431	2.0
99.00878	6.7
101.02434	16.1
102.32655	1.5
103.00414	1.4
109.02993	3.2
112.98758	5.4
113.02448	12.5
116.92846	2.1
119.03478	2.4
121.02930	2.7
121.34141	1.4
123.36150	1.4
125.02438	5.3
133.02963	2.1
135.04515	2.9
137.02484	2.1
145.02972	1.6
161.04591	9.1
173.04547	3.2
175.00337	1.8
177.01930	2.5
191.05597	3.6
195.06488	3.0
209.15385	8.4
248.43518	1.6
289.07095	1.9
309.04083	1.9
327.05002	3.2
333.16782	1.7
353.19507	1.8
371.20578	6.8
396.68176	1.7
413.21509	3.0
429.08548	2.1
447.09293	2.1
475.78348	1.6
503.25064	12.3
521.33447	3.4
545.26013	100.0
546.26282	9.9
652.33655	2.4
652.70477	1.7
653.35413	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	651.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.2
59.01158	1.4
59.01385	18.8
61.98592	1.9
61.98836	20.3
67.64478	1.5
69.32020	14.5
71.01387	13.5
72.99310	7.5
73.02940	3.0
75.00871	5.6
83.05014	4.7
85.02953	7.9
87.00866	7.3
88.98802	7.2
89.02425	8.4
95.05042	1.8
97.06582	11.7
99.00867	4.8
101.02420	8.6
103.00356	3.3
109.02934	2.4
112.98780	5.2
113.02460	10.3
114.18442	1.8
117.01965	2.1
119.03490	2.0
120.33368	1.6
123.08202	8.9
125.02458	2.1
125.09728	100.0
126.10040	4.0
128.03494	2.1
133.02962	3.1
134.03734	2.8
135.04543	2.5
138.02057	1.6
151.03981	2.9
161.02466	4.2
163.00322	2.5
163.11269	2.8
171.10222	2.9
177.01915	2.7
187.09763	69.7
190.02611	2.2
191.03268	2.1
191.05591	6.0
193.05078	3.4
201.11342	26.6
209.11830	29.6
253.09305	5.6
261.13541	2.2
269.04355	2.3
285.04068	4.2
289.06943	2.7
297.04077	14.0
298.04181	2.1
339.25375	2.6
357.26620	3.3
365.42517	2.3
401.25443	8.1
405.17609	4.8
423.18698	11.7
433.09262	2.9
459.07431	11.2
519.31677	5.6
553.26630	2.0
607.29749	45.0
608.30017	4.8
615.29572	6.4
633.31226	75.4
634.31500	10.5
651.32300	63.7
652.32587	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	651.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
63.33895	0.5
64.85956	0.6
65.08200	0.7
70.36839	2.3
70.89536	0.5
71.01376	6.0
71.15703	0.6
71.99435	0.6
72.99328	0.8
84.83721	0.6
85.02953	1.2
87.00893	1.9
90.96924	0.6
91.05574	0.7
93.03456	10.4
96.96026	0.7
108.02198	1.2
112.98824	0.6
115.00380	3.3
119.05030	77.0
120.05372	3.3
120.80627	0.7
123.04560	0.8
132.05806	2.1
133.06662	1.2
136.86986	0.6
145.06563	2.4
147.04518	1.0
149.00922	6.7
150.01266	1.2
151.01425	1.3
163.04010	51.6
164.04320	3.4
165.04477	1.1
177.05553	8.5
179.03629	0.6
191.05542	1.0
204.63509	0.8
210.06870	17.7
211.07640	100.0
212.07954	4.1
223.29935	0.6
237.09238	5.5
239.10776	18.7
240.11064	1.1
253.08717	1.6
269.05133	0.6
283.09756	25.9
284.10007	1.6
295.04565	1.4
296.05142	1.1
297.05157	1.1
327.08698	1.8
366.73923	0.7
373.12897	1.9
445.14990	2.4
489.13937	4.8
519.14075	0.7
550.03589	0.6
619.71289	0.7
651.19287	63.3
652.19653	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	649.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.5
70.99408	3.1
72.99307	4.7
87.00886	15.7
100.00741	1.5
103.00381	3.7
105.95688	1.3
112.98797	2.9
119.05035	47.8
120.05420	1.6
135.04498	4.4
149.00923	100.0
150.01306	1.2
163.04012	60.0
164.04276	2.4
166.58659	1.3
179.03493	3.8
191.05630	9.6
221.66289	1.3
295.04578	16.9
296.04828	1.6
340.18817	1.6
353.08878	4.7
625.01563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
70.99212	1.7
70.99528	1.0
72.99300	1.1
78.59951	0.8
87.00872	8.5
93.03424	0.9
103.00356	2.8
112.98814	7.6
119.05027	48.6
120.05364	1.8
130.99803	1.2
135.04509	3.8
149.00909	15.9
163.04008	100.0
164.04330	3.1
166.44186	0.8
173.04524	1.6
179.03470	3.7
190.77963	0.7
191.05637	6.1
196.27080	0.8
211.83235	0.8
246.94191	0.8
251.37779	1.0
263.07593	0.8
295.04599	31.6
296.04919	1.5
353.08743	5.1
620.17938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65410	0.4
54.66994	0.4
54.79051	0.4
61.98831	100.0
68.82439	0.4
71.51347	0.7
72.89503	0.5
81.39979	0.4
91.77277	0.5
126.16163	0.5
141.88254	0.4
306.54791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01162	0.5
59.01379	6.0
61.98830	9.0
66.92201	0.6
69.03471	3.1
71.01377	5.5
71.05004	0.9
71.51726	1.3
72.36548	0.6
73.02914	1.2
81.03442	0.9
81.56158	0.7
83.01401	0.6
83.05020	1.0
85.02932	1.0
87.00858	1.2
88.08324	0.6
89.02450	3.8
90.83047	0.5
95.05012	1.8
97.02925	0.8
97.06580	11.3
99.00887	0.9
101.02424	3.9
109.02906	0.9
113.02431	2.1
119.03481	0.7
119.22755	0.6
123.04507	1.1
123.08160	5.4
125.02409	1.1
125.09723	75.6
126.10043	2.2
137.02452	1.0
149.02292	0.6
151.11292	1.9
153.12807	0.8
161.02437	0.6
161.04544	1.0
161.09688	1.8
169.08659	2.1
175.03998	0.9
179.10742	4.1
183.13843	0.6
185.11852	0.9
187.09747	51.7
188.10057	1.2
197.11818	28.1
198.12154	1.0
201.11469	2.9
209.11781	2.4
227.12836	1.2
235.08150	0.7
241.10751	2.2
253.09248	1.9
261.13370	1.2
289.07239	0.8
405.17621	1.0
418.09457	0.6
423.18674	5.9
477.19565	1.2
485.23798	1.1
603.30225	2.5
604.30908	0.7
629.28912	0.7
647.29144	100.0
648.29449	14.3
648.39484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.1
71.01368	1.3
71.51157	1.2
72.99297	1.3
81.25073	1.1
84.99342	1.3
87.00875	12.1
99.08164	5.2
103.00365	10.0
109.02997	1.7
110.12496	1.0
112.98811	24.1
112.99601	1.3
113.09729	4.9
130.99869	3.2
135.04543	2.0
137.02562	1.2
141.09270	1.0
149.00943	1.2
157.08682	1.3
159.10268	100.0
160.10588	2.8
173.04546	3.2
179.03520	2.0
191.05583	7.6
192.05891	2.0
193.06041	1.2
289.07227	2.3
291.10849	66.4
292.11227	3.3
324.76154	1.2
327.05011	1.3
341.06506	1.0
452.42780	1.1
609.14825	2.5
645.21509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14465	1.1
56.04511	1.0
57.77013	1.2
58.73230	1.1
59.01382	16.3
66.37776	1.1
72.64063	1.1
75.19070	1.2
77.96543	1.1
83.06208	1.1
85.02960	1.8
87.00877	8.2
98.20744	2.9
103.00370	8.0
112.98817	17.9
113.09722	16.5
130.99852	2.6
149.00957	1.9
159.10275	100.0
160.10637	1.8
173.04549	2.3
191.05592	2.9
192.05928	1.3
229.29883	1.8
279.64807	1.4
291.10864	63.3
292.11182	2.5
293.96533	1.1
518.94458	1.3
525.21881	1.3
609.14465	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	645.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.8
58.00598	1.0
58.60432	1.0
59.01381	31.8
67.01881	2.9
68.99806	1.3
71.01386	47.2
71.51279	1.0
72.99301	1.2
73.02951	10.5
73.39549	0.9
76.17558	0.9
80.56770	1.0
83.01369	5.7
85.02457	2.0
85.02953	32.9
86.00098	1.4
87.00867	6.7
89.02464	1.3
95.01379	7.8
97.02937	2.0
99.00881	2.6
101.02450	9.3
109.02929	1.6
111.00891	4.5
113.02451	32.6
125.02501	1.1
129.01921	3.0
131.03490	6.4
139.00343	1.8
163.45680	0.9
173.04581	6.1
189.04015	2.7
197.04468	1.2
201.03987	1.8
205.07280	1.4
215.05598	2.7
245.06648	5.1
263.07574	2.6
305.08820	4.4
317.08926	1.4
329.08813	1.1
359.09872	1.1
377.10797	2.0
419.11649	1.5
441.46356	1.0
513.14587	4.3
553.13477	1.0
567.15625	3.7
585.16644	19.0
586.16888	1.6
603.17664	2.1
645.18842	100.0
646.18945	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	645.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.3
67.05511	3.0
69.38539	3.1
71.01381	8.2
71.20252	4.3
71.20561	4.5
73.48041	2.9
74.53130	2.9
85.02978	9.3
93.03462	11.4
96.96001	13.5
109.02947	12.8
111.04510	4.1
113.02420	4.0
123.04555	5.6
125.02447	5.8
132.02184	4.9
133.02963	9.3
133.97533	3.1
134.03714	9.7
134.99913	3.4
135.04491	10.7
137.02388	7.1
149.02432	5.0
160.01665	39.2
161.02504	21.6
163.04016	4.5
166.03040	3.6
173.04547	36.9
175.03987	64.1
177.01910	4.5
179.03395	6.0
179.35699	3.2
191.05598	34.2
192.05981	10.9
193.05069	14.0
203.07207	3.9
217.05136	4.8
242.27478	4.3
266.39011	3.4
284.03238	4.6
285.03989	6.2
289.07181	22.0
297.00943	3.6
297.04117	12.6
298.04828	10.8
299.05722	19.0
307.08307	17.6
307.11649	3.0
313.03592	16.9
327.05106	88.0
328.05508	5.6
337.09198	11.6
339.04883	4.7
341.06522	5.7
355.10385	27.7
357.06198	22.8
367.14084	3.3
419.96622	4.1
447.09351	40.0
453.10980	5.8
489.10632	4.1
595.85736	4.4
602.20251	3.5
609.14630	100.0
610.15045	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	645.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.3
61.98832	6.4
70.81339	0.9
70.81660	1.1
71.01385	3.6
72.99298	0.7
74.11931	0.6
75.00887	0.6
81.32082	0.7
82.02979	1.5
83.01398	1.3
85.02968	1.8
89.02444	1.6
93.03471	1.1
95.01410	0.7
95.05043	1.9
101.02452	2.3
108.02178	2.8
109.02951	39.4
110.03241	0.9
112.98560	0.8
113.02454	1.4
119.05069	0.9
121.02982	1.9
122.03732	1.1
123.04524	16.1
124.04890	0.6
125.02446	1.5
126.90433	1.6
133.02945	4.4
135.04535	1.6
137.02458	2.1
145.02960	0.8
147.04552	1.6
149.02429	1.7
151.04005	14.6
151.05246	0.8
159.04555	1.2
160.01634	0.8
161.02406	7.4
162.03264	0.9
163.03941	1.0
165.01910	2.7
169.02997	0.8
175.03960	1.0
177.01924	12.2
179.03459	1.0
186.03304	0.8
187.03993	2.9
188.04762	1.6
189.01929	14.9
189.05467	0.8
190.02676	4.2
191.03477	2.2
193.05055	2.2
194.80975	0.7
195.06613	1.2
197.02466	1.5
198.03220	2.5
201.01851	1.6
202.02693	0.8
203.03481	2.8
203.07231	0.9
205.04976	0.9
211.03932	1.2
213.01958	1.0
214.02696	4.8
215.03499	12.1
216.00606	2.5
216.04062	0.8
217.01414	11.2
218.02054	1.9
219.02992	4.7
225.01923	0.8
227.03484	1.3
227.07204	0.9
229.01456	7.4
231.02826	3.1
239.03470	4.7
240.04213	0.8
241.01331	0.9
242.02188	28.9
243.02963	11.3
245.04713	0.9
245.08080	0.8
246.01686	3.1
246.05327	0.9
255.02965	4.8
255.06828	0.8
257.04553	1.4
265.04822	1.2
269.00897	15.9
271.02554	1.6
271.77167	0.7
273.04056	3.4
274.01199	23.8
274.04572	1.6
279.06549	0.8
281.04480	5.2
282.05197	1.0
284.03293	6.8
285.03726	1.0
289.07199	3.1
297.07800	3.1
307.06161	1.1
309.04074	2.9
310.04663	1.0
323.05573	2.5
324.06458	0.8
333.04150	2.1
334.04910	0.9
339.04730	0.8
341.06638	64.8
342.06961	4.5
343.12943	1.1
344.13354	0.8
349.07324	1.0
351.05133	2.0
359.12952	0.8
365.06509	1.6
367.08252	1.3
375.05292	1.0
379.04620	2.3
383.07645	12.3
389.15826	0.9
393.06155	100.0
394.06467	8.3
425.08701	2.3
450.17267	0.8
451.10321	18.5
451.16339	1.0
452.10751	1.7
461.08615	1.4
464.18051	0.7
465.18710	2.3
493.11313	6.4
503.09836	98.5
504.10217	10.3
519.13702	1.1
525.58002	0.8
535.12183	3.6
602.27490	0.7
613.13458	20.9
613.23383	1.2
614.13861	3.7
636.09558	0.7
644.28052	0.8
645.16364	15.7
645.27515	2.2
645.37408	3.8
646.16614	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	645.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
61.98821	4.2
63.51556	0.9
63.57435	0.8
71.01375	2.4
71.06617	1.5
79.15744	0.8
85.02952	1.5
89.02431	1.6
95.05029	1.7
96.95991	1.8
101.02457	1.2
108.02162	2.7
109.02956	43.9
110.03260	1.3
113.02419	1.2
119.04965	0.9
121.02914	1.3
122.03764	1.2
123.04531	15.8
125.02435	1.5
133.02940	4.2
135.04489	3.6
137.02455	1.2
149.02473	1.4
151.04004	11.5
159.04501	1.2
161.02472	7.6
161.06168	1.4
167.03511	1.4
169.03033	1.6
171.04385	1.4
175.03922	1.3
177.01921	12.0
179.03543	1.5
187.03931	2.4
189.01918	16.2
190.02684	3.8
191.03488	1.6
193.04984	1.8
197.02438	1.6
198.03195	1.8
201.01888	2.5
203.03491	1.1
205.05046	2.2
211.03868	1.1
213.01938	1.4
214.02722	5.3
215.03510	14.6
216.00569	3.9
217.01414	10.2
218.02084	1.2
219.02957	5.4
227.07281	1.4
229.01378	9.6
229.08661	1.3
231.02965	3.1
239.03459	4.0
240.04283	1.0
242.02193	33.2
243.02960	9.9
246.01692	4.2
246.05315	2.1
253.04979	1.1
255.02965	3.6
261.04050	1.3
268.98184	1.4
269.00916	15.2
271.02463	1.8
273.04013	3.9
273.07635	1.4
274.01208	24.2
274.04367	1.3
275.01544	1.4
281.04538	6.8
282.05170	1.2
284.03378	7.0
289.07111	2.4
297.07584	4.0
309.03928	1.9
323.05658	1.6
333.03915	1.8
339.04773	1.2
341.06628	68.1
342.06830	3.1
349.07059	1.8
351.05103	2.5
355.08054	1.3
367.08261	1.7
371.07727	1.0
375.05359	1.5
379.04343	1.4
383.07715	18.4
384.08270	1.4
393.06168	100.0
394.06503	8.5
394.63986	1.2
425.08417	2.0
451.10321	15.1
452.10461	2.0
461.08542	2.5
465.11731	3.4
493.11407	17.5
503.09830	89.0
504.10043	10.4
535.12402	3.5
613.13336	17.5
613.22528	1.8
614.13995	2.7
645.16241	17.0
645.26636	1.2
646.16388	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	645.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47199	1.0
59.01383	4.8
61.65597	1.0
61.98837	10.3
71.01364	3.3
71.52100	0.9
71.52560	1.3
85.02945	1.3
87.00866	1.0
88.98788	1.1
89.02454	1.6
91.01846	1.0
93.03452	2.0
95.01408	0.9
95.05018	2.8
96.96019	5.0
101.02428	1.4
102.52088	0.8
108.02155	2.7
109.02953	50.2
110.03324	1.6
113.02438	1.2
117.03492	1.2
119.05029	1.6
121.02974	1.8
123.04533	21.8
125.02420	2.7
133.02931	4.1
134.03711	1.2
135.04518	3.3
137.02411	2.8
137.60611	0.9
145.02992	1.4
147.04530	1.4
149.02437	2.7
150.03192	1.2
151.04010	17.9
155.50798	0.9
159.04488	1.4
161.01456	0.7
161.02464	7.4
163.04053	1.2
165.01894	2.0
167.03453	1.1
169.02870	1.2
173.04515	2.7
175.03958	1.7
177.01930	15.0
179.03435	2.1
180.04233	0.9
187.03969	3.2
189.01941	31.2
190.02663	6.8
191.03522	4.6
193.05042	0.9
195.06635	1.5
197.02362	2.2
198.03099	1.2
201.01895	2.8
203.03499	4.0
205.05132	1.8
211.03951	1.3
213.01877	2.3
214.02641	4.1
215.03499	12.2
216.00581	4.2
216.99452	1.4
217.01414	22.5
217.04794	1.2
218.02023	2.5
219.02995	10.1
225.07623	1.7
227.03522	1.3
229.01450	9.8
231.01195	0.9
231.03003	8.6
233.04628	1.2
239.03511	5.2
241.01393	1.7
242.02209	24.5
243.02974	16.6
245.04564	1.4
246.01663	2.6
255.03001	5.9
261.03900	1.9
269.00891	14.4
271.02640	2.5
273.04065	10.8
274.01212	19.6
274.04224	1.4
281.04498	2.7
284.03262	9.8
285.03912	1.6
289.07135	3.6
297.07343	1.2
301.03595	2.0
303.05032	1.3
309.04047	2.3
323.05603	2.8
331.05798	1.0
341.06647	99.0
342.06958	8.6
349.07141	1.3
351.05081	2.0
356.24991	1.0
375.05133	1.1
379.04855	1.8
383.07724	12.1
393.06168	100.0
394.06595	7.5
425.08749	9.8
451.10349	52.6
452.10483	5.0
491.12607	1.2
493.11545	10.1
503.09833	72.0
504.10272	6.5
517.11218	1.2
535.12335	9.0
536.11890	1.1
562.54218	0.9
587.78931	1.1
613.13574	12.2
614.13770	1.6
645.16113	15.9
645.26233	0.9
646.16675	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	645.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06637	0.7
59.01371	2.0
61.98822	3.9
71.00970	1.1
71.01332	2.0
76.36687	0.6
77.95924	0.8
78.43095	0.6
83.51816	0.6
84.15887	0.6
86.70757	0.7
93.03468	0.9
95.05018	1.7
101.02467	0.8
108.02161	1.9
109.02947	37.1
110.03310	1.0
113.02460	0.8
122.03708	0.9
123.04516	15.7
125.02448	1.2
133.02943	2.7
135.04539	2.1
137.02373	0.9
145.03004	1.0
149.02419	1.5
151.04004	15.7
155.26358	0.7
159.04518	1.0
161.02432	6.5
162.03273	1.0
169.02965	1.0
172.78288	0.7
175.03951	1.0
177.01924	12.6
179.03389	0.6
187.04039	2.9
189.01935	15.7
190.02676	4.0
191.03493	4.0
197.02423	1.7
198.03230	2.3
202.02690	0.9
203.03444	2.5
214.02719	5.5
215.03484	10.3
216.00627	3.2
217.01419	11.9
218.01973	1.4
219.03087	5.7
227.03386	1.0
229.01430	7.9
229.08685	1.2
231.02957	5.0
239.03471	3.9
240.04115	1.1
241.01443	2.0
242.02199	25.4
243.02954	9.5
245.04507	0.8
245.08157	0.9
246.01605	3.7
255.03000	4.6
257.04590	1.2
269.00894	13.7
271.02460	1.1
273.03986	5.7
274.01199	20.7
274.04327	1.0
275.01550	1.1
281.04556	4.1
284.03256	7.6
285.03818	0.9
289.07193	3.1
297.07648	3.4
305.04364	0.9
307.06250	0.8
309.03903	2.1
323.05573	2.4
333.03995	1.5
341.06631	72.6
342.07156	4.6
349.07239	1.2
351.05078	1.4
375.04996	1.5
379.04547	2.0
383.07684	7.5
393.06140	100.0
394.06607	7.1
425.08624	4.1
451.10309	28.3
452.10632	3.4
457.25061	0.8
461.08954	2.1
493.11288	7.0
503.09821	70.3
504.09998	6.7
535.12195	3.3
613.13397	17.5
614.14532	1.4
634.24677	1.0
645.16071	11.4
645.27435	1.1
645.39160	1.7
646.16907	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	645.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
59.53420	1.2
61.98824	1.5
66.96884	1.1
68.59223	1.2
71.01393	2.7
71.51765	2.0
80.95096	1.2
85.02953	2.0
89.02439	1.9
103.98338	1.2
109.02956	1.8
128.84955	1.1
133.02971	12.7
135.04532	1.3
155.39789	1.4
163.00430	1.5
163.04016	1.6
173.04628	1.4
175.00372	5.0
175.04033	1.6
191.03407	1.7
199.03987	1.5
243.02846	1.2
265.05219	1.6
267.03085	3.1
284.03296	4.5
285.03976	5.2
297.04028	11.1
298.04761	10.3
299.05548	9.6
309.04056	78.6
310.04437	5.9
311.05566	3.1
327.05109	70.8
328.05466	4.7
339.05066	2.7
357.06165	33.6
358.06458	1.9
369.06128	4.0
429.08344	17.9
489.10364	13.6
490.11029	2.6
533.45660	1.3
609.14661	100.0
610.14819	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	644.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01370	2.2
61.98833	57.2
70.40606	0.7
71.01368	1.5
71.52283	0.9
81.03455	6.8
83.01395	2.8
85.02968	0.9
88.83873	0.8
93.03460	6.9
96.95976	0.9
100.43095	0.9
105.02006	0.8
109.02947	1.6
119.05025	8.3
123.04533	24.6
125.02448	18.3
128.03467	1.1
131.11430	0.9
135.04500	2.4
135.05556	0.6
137.02451	1.4
143.04596	2.1
147.04417	0.8
149.02419	2.5
151.00356	2.4
151.03981	1.3
161.02473	1.0
163.03973	1.2
164.04478	0.7
167.03499	83.0
168.03798	2.0
173.04576	0.8
179.03491	8.2
273.07687	100.0
274.07996	4.7
289.07166	1.0
297.07800	0.8
306.07599	2.3
311.51056	0.7
355.08472	0.8
357.64392	0.8
384.65909	1.0
433.13480	1.1
581.18726	61.5
582.18909	6.6
670.32446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.1
65.43492	1.2
69.55138	8.4
70.61967	1.3
71.01348	1.6
73.72452	1.4
85.02946	10.4
87.00888	10.6
93.03449	7.2
96.96003	1.3
103.00367	5.2
109.02959	7.2
112.98820	12.1
113.06065	4.8
119.05055	1.7
123.04500	4.1
125.02443	4.6
127.03982	2.7
128.58386	1.4
130.99866	2.0
135.04538	7.0
137.02403	2.3
139.04005	1.8
147.04433	1.5
149.00845	2.3
151.03963	4.3
157.08707	69.4
158.09038	2.8
161.02422	1.4
163.03949	1.6
173.04561	9.3
177.01886	6.1
179.03491	5.3
189.01944	11.2
190.02670	2.0
191.05621	100.0
192.05893	3.4
203.03404	1.4
203.06938	1.8
217.01433	6.9
218.02068	1.8
218.18916	1.4
219.02937	2.3
226.23300	1.2
226.51588	1.4
231.03021	2.3
247.83902	1.5
281.04672	1.6
289.09497	35.7
290.09604	2.8
299.05652	1.8
341.06650	28.6
342.07101	1.7
353.08743	8.1
451.10349	24.9
452.10904	2.2
460.39273	1.4
472.37714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
61.98834	20.2
71.01386	3.7
73.56504	1.2
78.58418	1.1
83.01434	1.3
83.89098	1.2
84.35121	1.3
85.02964	1.9
88.98815	1.3
89.02463	2.8
95.05070	1.9
96.96015	1.3
98.20638	3.9
101.02460	2.7
108.02179	4.0
109.02964	36.3
111.00902	2.2
117.03439	2.7
121.02985	3.7
122.03761	2.7
122.06078	1.3
123.04536	15.3
124.01680	2.4
125.02479	2.4
133.02979	7.2
136.05313	3.2
137.02438	6.9
145.02892	2.2
147.04555	1.7
149.02458	14.4
150.03256	1.5
150.06883	1.4
151.04022	20.0
161.02451	17.5
163.03986	1.6
164.04800	19.8
164.36116	1.3
165.01973	6.7
165.05592	2.1
175.03978	1.5
177.01945	12.8
179.03397	1.5
179.07117	9.7
187.04033	1.5
189.01945	35.0
190.02594	5.9
191.03505	15.5
197.11821	4.7
199.03896	1.8
201.01917	2.2
202.02705	1.7
203.03506	13.7
205.05066	4.4
208.76859	1.3
209.11827	2.7
215.03543	15.3
216.00690	3.3
216.99425	2.5
217.01418	31.1
218.01859	1.3
219.02942	5.6
227.12880	2.5
229.01350	3.6
230.02148	3.5
231.02983	11.0
243.02942	5.0
244.03726	1.4
245.04422	1.7
289.07138	3.0
293.04587	1.9
309.07755	2.2
335.05563	3.6
341.06705	57.7
342.06918	2.8
353.06671	40.6
354.06976	3.8
367.08249	6.8
381.09866	3.6
394.06763	1.3
409.09409	3.2
423.11206	1.6
451.10190	3.9
456.94513	1.3
463.10379	6.2
481.14691	2.9
481.35431	8.7
482.14459	1.3
491.13708	1.9
533.14575	100.0
534.15009	9.9
608.88708	1.2
643.18115	17.2
643.27783	13.5
643.37000	2.9
644.18604	1.9
644.28174	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.0
61.98841	14.9
71.01375	3.5
74.41244	1.1
81.03445	1.6
83.05053	1.4
85.02965	2.0
89.02439	2.1
90.59721	1.5
93.03487	2.2
95.05029	1.5
97.02914	1.8
98.19824	1.9
101.02436	3.8
108.02125	1.5
108.19337	1.3
109.02950	33.2
111.00889	2.8
113.02436	1.5
113.72994	1.2
119.05018	1.3
121.02927	4.8
122.03762	2.4
123.04525	16.4
124.01687	1.7
125.02467	1.8
132.68480	1.1
133.02940	4.4
134.03662	1.1
135.04575	1.4
136.05316	2.3
137.02438	2.3
139.03978	2.4
143.03419	1.5
145.02969	1.6
147.04503	2.1
149.02461	16.5
151.04007	16.5
154.02817	1.5
161.02463	16.3
161.04544	2.0
164.04782	21.7
165.05388	1.4
165.09233	2.6
169.12320	2.0
171.04541	1.2
171.10246	1.2
175.03975	1.8
177.01958	10.8
178.79776	1.2
179.03690	1.3
179.05629	2.5
179.07114	9.4
189.01935	38.4
190.02652	6.4
191.03511	13.7
195.10300	2.4
197.11833	36.4
198.12219	1.7
199.13399	1.9
201.01956	1.8
202.02722	1.4
203.03528	15.0
209.11838	31.0
215.03528	14.0
216.00563	3.1
216.04175	1.7
216.99414	2.3
217.01416	28.0
217.04802	1.2
218.02098	1.8
219.02974	3.9
227.12863	11.3
228.95833	1.2
229.01363	3.8
230.02151	3.8
231.02986	12.8
241.58730	1.1
243.03023	6.1
245.04530	2.3
253.09206	5.4
257.04556	2.9
294.05527	1.5
297.07364	1.3
309.07684	1.8
323.05453	2.6
335.05359	3.1
341.06628	57.9
342.06891	3.5
351.05261	1.5
353.06668	45.9
354.06915	2.9
367.08087	5.5
369.09872	2.3
381.09644	3.7
395.07608	2.0
408.80759	1.3
409.09235	3.3
411.10559	1.9
451.10236	3.4
463.10306	5.5
463.21591	1.6
481.15012	3.3
481.31628	5.5
490.26422	1.4
491.13199	2.1
533.14551	100.0
534.14716	11.7
535.39178	1.5
614.49640	1.3
643.18188	23.6
643.28607	2.7
644.18121	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	643.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58988	0.9
55.01866	1.8
57.03458	7.7
59.01382	9.3
67.01858	1.5
68.99814	2.0
69.03466	7.4
70.43153	2.7
71.01390	17.8
72.99306	1.3
73.02953	14.3
73.90569	0.9
77.27701	1.0
79.90934	0.8
81.03461	2.1
83.01392	4.2
83.04984	1.5
85.02956	60.2
87.00879	100.0
88.01186	1.3
95.01394	9.7
97.02955	29.3
99.00883	1.6
101.02473	1.5
103.04017	11.6
105.24566	0.9
109.02957	3.2
111.00877	2.5
113.02457	46.8
115.00381	12.4
115.03994	4.0
125.02459	1.1
127.04057	1.5
129.01929	3.1
131.03499	0.9
133.49631	0.9
138.56644	1.0
139.00369	1.9
157.01442	10.7
171.90718	1.0
173.04544	3.9
175.02477	75.1
176.02782	1.4
191.05620	6.7
217.03534	24.0
303.03738	1.9
303.07208	34.3
321.08258	14.0
322.08719	1.0
341.06519	1.3
381.10321	2.3
451.10608	1.7
479.10385	14.1
497.11420	2.6
539.12500	20.7
540.12927	1.8
625.16241	14.3
626.16913	1.3
643.17279	42.9
644.17731	3.9
658.38910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43882	0.7
54.07397	0.8
55.01875	1.8
57.03449	5.8
59.01376	7.7
63.49459	0.8
67.01887	1.4
68.87048	0.7
68.99819	1.4
69.03459	7.4
71.01385	17.4
71.50848	0.8
72.99316	2.1
73.02952	14.8
75.00826	0.7
78.95921	0.8
81.03433	1.9
83.01385	3.8
83.04974	0.7
85.02952	62.5
87.00875	100.0
88.01206	0.8
93.88531	0.8
95.01390	10.6
96.96049	1.3
97.02952	24.7
98.03242	0.7
99.00880	2.7
101.02441	2.2
103.04015	11.1
109.02943	2.6
111.00853	3.5
113.02451	45.9
115.00375	11.5
115.04005	2.0
115.37851	0.7
118.49044	0.7
127.03987	1.4
129.01935	3.1
131.03584	1.1
139.00356	2.1
149.00865	2.8
157.01439	8.7
162.88525	0.8
173.04567	2.2
175.02470	71.1
176.02785	1.6
191.02032	0.8
191.05632	1.2
198.74957	0.7
217.03517	24.9
222.57295	0.7
300.90500	0.8
303.07208	33.0
321.08243	10.8
381.10165	1.0
388.85214	0.7
450.48752	0.8
479.10403	13.2
497.11407	2.5
539.12482	21.5
540.12726	1.6
625.16119	12.8
626.16187	1.0
643.17212	40.1
644.17957	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	643.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51667	0.6
52.60336	0.6
59.01379	2.0
71.01383	3.0
73.02957	0.8
81.03418	0.9
84.25423	0.7
85.02950	13.4
87.00896	2.4
93.03446	6.8
99.04554	0.7
109.02942	5.8
111.00888	1.3
111.04526	1.6
119.05021	1.1
120.92262	0.7
121.03043	0.8
123.04543	3.9
123.74930	0.7
125.02456	2.5
127.04021	3.1
134.16058	0.7
135.04530	6.1
137.02438	3.1
139.03975	1.0
149.02351	1.3
151.03989	3.1
155.03459	1.1
161.02460	2.3
163.04031	1.8
171.02997	0.8
173.04535	13.5
174.04877	1.0
177.01945	4.2
179.03470	5.0
187.03954	1.4
189.01889	6.2
190.02631	2.9
191.05608	100.0
192.05986	2.7
197.57269	0.7
203.07135	1.5
216.00554	0.8
217.01471	4.8
219.02979	1.8
219.21161	0.8
231.02956	1.3
281.04553	1.5
289.07166	5.5
297.07745	1.4
299.05524	1.7
315.08936	1.4
337.09427	1.3
341.06644	26.1
342.07120	0.8
353.08795	8.3
451.10352	17.6
452.10583	1.8
466.81326	0.8
469.10590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
62.87658	0.7
63.49878	0.7
67.01893	1.3
69.18476	7.4
69.18799	1.7
71.01395	1.1
73.02975	0.9
83.05061	1.0
83.26075	0.6
85.02956	13.4
87.00878	2.9
90.55431	0.7
93.03467	5.7
98.20653	1.7
109.02943	6.6
111.04523	1.6
123.04549	3.4
125.02469	0.9
127.04019	2.7
132.02965	0.7
133.02939	0.8
135.04558	4.7
137.02431	3.7
151.04004	3.5
159.04517	1.0
161.02457	2.0
173.04546	7.3
175.67427	0.7
177.01932	5.8
179.03490	3.9
187.03970	1.1
188.04866	0.9
189.01926	9.7
190.02701	1.8
191.05627	100.0
192.05998	2.6
203.03447	1.6
203.07124	1.5
205.05107	0.9
216.00749	1.3
217.01456	6.7
218.02016	0.9
219.02986	3.2
220.38036	0.8
221.08203	0.9
231.02982	2.2
245.08150	1.2
281.04507	1.2
289.07227	6.6
297.07700	0.8
299.05933	1.0
302.06305	0.8
315.08810	1.2
341.06677	29.8
342.07239	1.6
353.08740	4.6
451.10376	25.2
452.10858	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	643.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79801	0.5
59.01375	1.8
67.01895	0.8
69.40686	1.5
69.41087	2.9
71.01389	0.7
83.01408	0.7
83.05042	0.6
84.61430	0.5
85.02947	14.9
87.00877	2.3
93.03454	5.2
97.02983	0.6
98.19917	0.8
99.04568	0.6
105.74573	0.6
109.02945	7.6
111.04517	1.5
119.05020	0.8
123.04533	3.1
124.37996	0.6
125.02402	1.0
127.03999	3.2
133.02968	0.9
135.04501	2.8
137.02489	1.4
147.04510	0.9
151.03990	1.8
155.23685	0.6
159.83560	0.6
161.02464	2.0
162.03259	0.7
163.04031	1.2
171.02969	1.1
173.04584	3.2
176.13197	0.6
177.01932	6.1
179.03474	1.0
183.82848	0.5
189.01941	11.5
190.02693	2.9
191.05612	100.0
192.05927	1.9
203.03592	1.0
205.05240	0.7
216.00632	2.0
217.01427	10.2
218.02132	0.8
219.02974	3.2
231.02995	2.3
259.78622	0.6
261.08759	0.7
281.04538	1.2
289.06967	3.1
297.07742	1.1
299.05649	1.5
341.06635	32.2
342.07034	2.0
353.08746	1.7
451.10336	36.0
452.10626	4.0
501.48160	0.6
643.16589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86093	0.4
58.15341	0.4
59.01382	1.5
64.24552	0.5
69.03455	0.7
69.16555	4.3
71.01367	1.2
81.03453	1.0
81.83201	0.4
83.01374	0.8
83.05026	0.5
85.02956	14.1
87.00877	2.9
91.64359	0.4
93.03452	6.9
97.02961	0.6
99.04561	0.9
109.02962	7.4
111.04517	2.1
123.04539	3.6
123.06539	0.5
125.02457	2.0
127.04047	3.6
128.36411	0.4
133.02943	1.1
135.04538	5.5
137.02434	2.5
147.04558	0.7
149.02481	0.6
151.04019	2.8
155.03520	0.7
159.04442	0.6
161.02423	2.2
161.06133	0.6
163.04047	1.5
164.89551	0.5
171.03085	0.6
173.04576	7.0
177.01938	6.3
179.03514	4.3
187.04007	1.3
188.04788	0.7
189.01942	10.6
190.02750	3.0
191.05624	100.0
192.05971	2.0
203.03488	0.8
203.07184	1.4
205.05013	1.3
216.00676	1.6
217.01427	7.6
218.02159	0.7
219.02979	4.3
229.08899	0.5
231.03030	3.0
245.08186	1.9
281.04642	1.4
289.07205	9.0
290.07465	0.6
297.07791	1.0
298.63666	0.5
299.05563	2.9
315.08820	1.4
341.06668	33.9
342.07227	2.3
353.08771	6.1
354.09109	0.5
362.34460	0.5
404.28424	0.4
451.10336	27.1
452.10669	3.2
469.11392	0.9
491.12521	0.7
552.47070	0.4
611.48834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.5
60.80980	0.8
61.98835	5.5
62.39919	0.9
63.14876	0.9
69.36904	1.7
69.37312	5.8
71.01392	2.1
83.08725	0.8
85.02920	1.4
89.02433	1.3
90.80835	0.8
102.42842	0.8
103.87376	0.8
109.02921	1.5
113.02480	1.4
113.03526	0.8
125.02467	1.1
130.08766	1.9
133.02936	14.9
137.02458	1.0
145.44569	0.9
149.02405	0.9
161.02467	2.1
163.00378	1.6
163.04016	1.3
165.01982	1.4
167.03528	0.9
173.02434	1.4
175.00403	4.8
175.03984	1.5
177.01978	0.9
191.05621	1.9
199.03864	1.2
199.67801	0.8
201.01791	1.2
209.06171	1.1
236.45952	0.9
237.05444	1.5
248.97926	1.0
253.04980	1.1
265.05176	1.7
267.02902	1.4
269.04434	1.3
281.04514	1.1
284.03250	4.8
285.04056	5.9
286.63159	0.9
297.04028	15.1
298.04794	9.4
299.05597	11.9
309.04041	72.3
310.04404	4.9
311.05627	2.9
327.05096	72.5
328.05392	5.0
339.04950	4.3
340.05902	0.9
357.06143	32.0
358.06586	2.0
369.06079	2.7
393.06046	1.1
411.06903	0.9
429.08270	20.7
430.08218	1.8
449.10748	3.3
459.09326	15.1
460.09634	1.4
509.23584	1.0
551.09821	1.0
579.13556	100.0
580.13928	9.5
606.25537	1.4
647.11786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70212	1.1
59.01379	1.9
61.98832	5.6
65.22834	1.0
69.18007	8.5
69.18404	2.3
70.98291	0.9
71.01389	1.8
89.02438	1.2
133.02948	5.7
149.02414	1.0
150.63043	1.3
158.10402	1.0
163.00365	1.0
163.03976	1.5
165.01807	1.3
173.04518	1.0
175.03920	1.3
177.01895	1.1
191.05571	2.0
201.02008	1.0
280.36060	1.0
284.03110	2.4
285.03998	7.4
297.04037	10.7
298.04807	47.8
299.05334	4.7
309.04056	18.3
310.04318	1.4
311.05469	2.3
325.03412	1.7
326.04315	3.1
327.05063	15.2
328.05359	1.4
330.03482	2.2
338.04163	2.6
339.05139	4.7
353.02972	1.6
357.06152	10.9
369.05905	1.5
429.08313	5.6
459.09329	16.6
579.13519	100.0
580.13788	12.0
602.69281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01384	12.3
61.98827	2.4
71.01389	9.5
71.51808	2.5
72.99305	4.8
75.00888	13.0
82.39710	1.6
85.02945	14.4
87.00879	6.3
88.98824	4.4
89.02438	5.2
93.03463	3.9
95.01381	4.2
95.35815	2.1
95.81844	2.2
96.00938	2.0
99.00874	5.1
101.06087	79.1
102.06412	2.5
103.00378	1.8
109.02976	4.2
112.65893	1.8
113.02458	13.3
113.03555	3.9
115.00355	2.9
117.01937	2.0
117.80705	1.9
125.02447	5.3
125.03458	2.3
130.08755	12.4
133.03009	2.0
151.03947	2.0
173.04509	12.6
175.02458	1.8
179.03432	2.6
189.25262	1.9
191.05600	16.2
209.09290	3.6
210.25908	2.1
222.05183	1.7
243.17047	3.8
244.02477	1.8
249.06175	11.3
267.07224	2.0
282.92618	1.8
289.07123	2.9
297.04269	2.1
323.16159	3.6
333.11908	2.1
340.18774	6.3
351.12973	100.0
352.13153	5.4
369.06131	4.3
399.07126	1.9
434.37897	2.0
449.08936	3.7
489.10339	2.6
495.43201	2.1
576.60132	1.9
579.13647	2.4
595.33636	1.9
598.28241	2.2
606.25305	5.7
609.14056	3.8
623.27679	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	641.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26002	1.0
57.03446	2.6
59.01381	18.4
61.98819	3.8
63.07265	1.2
63.10682	1.1
67.01884	1.6
68.99808	2.2
71.01381	19.7
71.51598	1.8
72.99311	8.4
73.02951	3.1
75.00870	19.8
83.01382	1.6
83.18175	1.2
85.02949	20.8
87.00877	7.1
88.98820	1.5
89.02433	5.5
93.03478	3.9
95.01379	5.3
99.00879	10.2
101.02501	1.3
103.00371	2.3
109.02940	1.4
111.00854	1.9
111.04499	1.5
113.02448	21.3
115.00436	1.6
117.01937	2.7
119.05003	1.2
121.02946	4.5
122.03751	6.2
123.04521	4.0
125.02424	4.7
129.01881	3.5
133.02919	2.0
134.03760	1.6
135.04543	6.1
136.05318	7.4
137.02353	1.6
149.02467	11.8
149.06024	2.5
150.03226	50.1
151.04024	10.0
161.02490	1.7
164.04788	3.4
165.05556	39.9
166.05882	1.5
173.04520	2.1
175.02470	3.0
179.03427	1.7
179.07191	2.6
180.04260	2.3
181.05031	3.9
191.05556	4.1
195.06607	24.9
196.07030	1.9
231.05063	2.8
249.06125	23.1
250.06442	1.1
251.48268	1.1
267.07169	14.1
269.62540	1.2
311.09232	4.1
313.08160	2.0
327.05136	1.4
343.11700	9.1
367.04544	2.2
390.99829	1.2
391.14029	2.3
391.27197	1.8
422.29254	1.2
423.10733	1.8
429.99127	1.2
435.48212	1.2
444.12817	10.9
445.13428	2.4
449.08972	1.1
509.20325	1.7
519.11420	3.3
522.51434	1.3
593.18866	1.9
605.18738	1.6
611.68854	1.1
614.97711	1.4
623.19958	9.5
641.20868	100.0
641.33276	8.1
642.21130	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	641.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
61.98827	12.7
69.03469	1.6
71.01376	8.5
72.99297	3.1
73.02969	1.8
75.00871	5.9
81.03446	1.6
83.01366	1.8
85.02946	11.7
87.00888	3.9
88.98808	5.6
89.02432	4.1
93.03450	4.1
96.96023	7.8
99.00858	3.7
101.02435	3.6
109.02944	17.3
113.02444	5.8
115.00333	1.4
116.92834	1.7
119.04990	1.7
121.02916	1.9
123.04520	1.8
125.02460	8.1
127.04015	1.7
133.02934	12.0
134.03702	3.9
135.04503	4.1
137.02443	3.5
141.01955	1.3
145.02968	1.7
151.04007	2.6
161.02393	3.7
163.04001	1.9
165.01953	1.6
167.03554	1.6
173.02495	2.6
173.04506	4.7
173.06042	1.3
175.04002	1.6
177.01929	1.9
179.03542	1.9
185.02434	2.2
189.01872	3.3
191.05608	67.6
201.01901	5.7
202.99863	3.4
204.47943	1.3
213.01988	2.8
215.03426	5.2
217.01375	3.7
217.04939	2.3
227.03479	5.3
229.01352	1.5
243.02988	10.3
245.00966	3.3
245.04669	1.5
249.05861	2.2
255.02988	9.4
256.03751	3.8
257.04617	2.0
264.04187	1.8
265.05133	2.3
269.04349	3.1
271.02417	1.5
273.04001	3.8
277.05020	1.9
281.04416	1.9
285.04001	3.3
287.05368	1.5
289.07242	1.7
291.07953	1.2
293.04520	4.7
294.04996	1.4
295.02252	1.9
297.04105	2.5
298.04761	2.6
299.01996	1.7
299.05292	1.5
305.04611	2.2
307.06296	2.5
309.04102	4.9
311.05490	2.2
321.03818	2.6
322.04922	1.5
323.05585	6.1
324.06244	1.7
325.03320	1.8
327.05048	4.4
335.05362	2.1
337.03378	4.0
339.05151	2.2
347.24146	2.2
349.03433	4.9
350.04202	8.3
351.05109	7.7
357.06131	3.6
367.08249	2.2
369.06021	3.6
379.04526	30.7
380.04846	2.2
381.06107	6.8
382.03143	3.8
391.04568	3.4
391.26840	5.1
395.07727	1.6
407.07678	13.0
409.05630	23.2
411.02090	2.6
411.07230	35.8
412.07455	1.8
421.05133	1.5
423.07144	1.9
441.08200	19.7
447.09085	3.0
449.08661	6.3
467.09644	5.1
479.24600	1.9
489.08228	5.0
493.30035	1.4
499.08792	3.6
513.10425	10.4
519.09436	3.9
521.10785	12.4
522.11096	2.4
531.11395	100.0
532.11658	8.2
596.34283	1.4
640.32526	4.3
641.15356	11.9
641.34534	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	640.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72919	0.8
59.01376	5.0
59.19075	0.8
61.08035	0.7
61.98832	100.0
71.01386	1.8
71.52454	0.8
72.59216	0.9
72.99301	0.9
87.00863	1.6
89.02449	1.2
90.59882	0.8
101.02477	0.9
109.02944	2.3
111.54013	0.8
123.04514	1.2
125.02490	1.3
139.42732	0.9
151.04042	2.0
161.02396	1.2
163.04053	0.9
189.01974	1.7
190.02675	1.3
195.10318	4.1
208.42587	0.8
209.11830	3.5
217.01410	1.8
227.12958	1.7
289.07153	2.1
341.06677	5.6
345.26691	0.9
391.09512	0.8
413.08682	1.6
451.10300	3.5
494.12399	1.9
530.14532	2.3
639.36182	0.9
640.36285	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	640.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87755	0.9
57.03434	1.7
58.00601	1.0
59.01386	16.4
61.98836	56.8
71.01402	4.6
72.99319	1.3
73.02939	1.3
75.00834	0.9
82.33475	0.9
83.01398	0.8
85.02969	2.8
87.24186	0.9
89.02428	1.3
93.06836	0.9
93.24264	0.9
101.02480	2.1
113.02456	1.5
117.03455	7.0
125.02446	5.5
131.01424	1.3
135.04510	1.5
143.69284	0.8
159.04503	1.0
161.02493	2.7
163.03957	0.9
173.02396	4.7
173.04601	1.9
175.00356	6.6
177.01965	1.2
191.05591	1.6
197.11807	1.6
230.14803	1.2
254.36237	1.0
269.04596	3.4
281.04572	3.0
282.05316	3.9
283.06131	6.6
284.72168	0.9
289.07278	3.8
293.04572	100.0
294.04929	6.8
295.06183	1.7
311.05664	10.0
314.04248	2.0
323.05569	4.6
335.05630	1.7
341.06738	3.2
387.72562	1.0
388.97034	0.9
407.07761	1.6
413.08804	35.5
414.09448	1.7
423.10629	1.5
425.08984	1.8
457.11349	4.8
492.56265	0.9
577.15656	96.3
578.15924	11.6
639.33600	1.1
640.25629	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	640.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89255	1.8
53.25734	1.7
56.73122	1.7
57.03452	11.5
59.01373	2.1
61.98829	18.4
70.56023	2.0
72.87605	1.8
83.01385	5.0
85.02922	2.5
93.03455	3.2
95.05054	2.8
97.02940	4.8
98.19887	5.1
103.76461	1.9
107.04980	2.3
109.02953	19.0
121.02956	4.5
123.04515	12.3
123.39168	2.0
125.02446	100.0
125.05572	1.9
125.36222	2.3
133.02936	4.6
135.04520	4.8
137.02437	23.0
139.04007	3.4
149.02429	5.1
151.03996	14.7
159.04454	3.1
161.02437	31.4
161.06082	4.0
163.03995	3.8
164.01134	3.6
165.01817	5.1
168.99635	2.1
173.04555	11.9
173.05927	2.6
175.03941	12.1
175.07584	2.4
177.01955	7.5
179.03438	4.5
187.04025	8.5
188.04755	4.7
191.05609	5.2
193.04984	2.7
203.07141	10.4
205.05054	6.7
217.05177	2.3
221.08160	2.1
227.07100	2.3
229.05067	6.1
243.02892	3.4
245.04541	8.8
245.08243	13.0
255.03046	9.9
256.03696	5.7
273.04010	6.5
281.04651	3.5
285.04080	4.7
287.05588	12.3
289.07166	66.3
290.07510	2.5
299.05664	6.1
337.09537	3.5
339.08737	4.0
381.09702	4.0
407.07642	68.6
408.08078	10.6
425.08780	53.6
426.08786	5.5
449.08945	2.2
451.10397	20.3
577.13623	29.7
577.22284	2.2
578.13867	3.2
629.65723	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	640.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
57.70803	0.9
59.01368	4.0
61.98830	100.0
71.01399	2.2
71.52460	1.7
75.00897	1.0
81.03436	1.7
83.01392	4.5
85.02966	1.7
95.05027	1.3
97.02966	3.2
101.02463	1.4
109.02952	11.4
113.02446	2.1
121.02905	1.7
123.04528	7.1
125.02446	94.1
126.02786	1.9
133.02959	2.9
135.04527	2.1
137.02443	21.6
139.03990	1.6
149.02472	3.1
150.03215	1.0
151.03979	7.6
159.04576	1.7
161.02431	18.5
161.06111	2.8
161.54237	1.2
163.00375	1.3
163.03998	2.4
164.01163	3.3
165.01927	2.9
167.03528	1.3
175.02724	1.0
175.03989	6.5
177.01990	3.9
179.03471	4.2
187.03981	6.3
188.04863	2.4
203.03822	1.2
203.07108	5.3
205.01437	2.1
205.05020	7.3
216.76633	1.0
217.05125	1.2
218.10429	1.1
221.08246	2.1
229.05151	2.0
245.04628	3.6
245.08141	9.6
255.03082	3.0
256.03619	2.0
273.04111	5.6
281.04672	1.9
285.04056	1.3
287.05591	11.7
289.07172	53.2
290.07623	2.5
293.04517	1.3
299.05563	8.8
339.08698	3.5
389.25415	1.1
407.07712	38.1
408.08139	3.1
425.08752	42.6
426.09073	3.7
451.10397	15.5
452.10843	1.4
577.13519	26.1
578.14081	3.2
590.96344	1.3
608.01788	1.2
619.88959	1.2
639.32135	3.9
640.23944	1.2
640.32959	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	639.36
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54289	0.9
58.00580	2.0
59.01380	38.3
61.98833	100.0
71.01395	5.9
71.71489	0.9
72.99315	14.2
73.02930	1.4
75.00867	3.0
84.99285	1.4
85.02940	1.7
85.07703	0.9
87.00880	18.5
89.02436	2.1
99.00882	1.2
101.02424	3.8
103.00375	14.7
104.31158	1.0
112.98818	18.2
113.02431	2.6
119.03498	1.2
125.02428	1.0
130.99849	4.4
135.04588	1.1
151.04019	1.1
188.08159	1.0
195.10251	2.6
209.11829	1.8
225.11319	1.8
255.23596	1.1
289.07138	1.2
426.52264	1.2
472.29135	1.2
506.02542	1.3
507.35370	11.2
639.35986	72.5
640.36371	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	639.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65501	1.8
55.01854	2.5
56.20624	1.5
57.03447	1.8
59.01377	27.2
61.98831	15.7
64.77595	1.5
65.03958	1.9
71.01384	25.0
72.99368	1.6
73.02940	7.0
78.95882	2.8
80.02650	1.7
81.03456	2.8
83.01382	4.4
83.05021	8.7
85.02945	6.9
87.00872	12.4
89.02442	10.9
91.05531	1.9
94.03734	1.5
95.01361	3.0
97.02933	2.8
97.06583	4.4
97.66451	1.4
98.19952	4.5
101.02444	14.7
107.05032	2.0
107.08671	1.9
109.06571	3.7
111.04469	1.5
111.08157	5.5
113.02467	10.7
116.30457	1.5
119.03508	1.9
119.05018	1.7
121.06632	2.0
123.08129	2.3
124.01748	1.6
125.02397	2.3
125.09705	12.6
127.11316	2.3
133.05121	1.7
137.09708	2.3
145.05043	4.3
161.04564	3.9
171.10277	87.9
172.10608	3.7
179.05600	2.0
185.11896	1.9
187.09729	1.8
187.14883	2.7
197.11833	2.2
205.15958	5.6
209.11845	29.2
211.13367	25.4
215.14392	12.2
221.15541	3.7
223.13422	3.1
231.13902	5.0
233.15453	33.0
234.15829	2.1
235.08258	15.4
247.13371	2.3
249.14967	41.1
253.09267	11.4
283.19089	2.1
331.26437	3.4
341.24734	5.2
359.25751	3.1
367.22696	7.4
375.25366	5.4
385.23795	32.3
386.24310	3.3
393.26675	2.8
403.24881	54.8
404.25180	5.0
407.19199	2.7
421.25833	17.8
432.78268	2.0
485.23926	6.5
611.34418	3.4
621.32800	100.0
622.33325	15.3
639.33856	66.6
640.34296	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	637.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
56.25706	0.5
57.03459	1.0
58.00573	0.5
58.05512	0.5
59.01382	12.0
61.98814	2.0
65.03952	3.0
69.03448	1.8
70.52042	1.5
71.01382	8.5
72.99297	1.5
73.02934	2.2
81.03458	0.8
83.01379	1.3
83.05029	1.1
85.02954	2.4
87.00869	3.6
89.02463	3.5
91.05538	1.0
93.07112	0.7
95.01373	1.3
95.05012	0.6
97.02939	0.9
97.06609	2.7
101.02452	6.3
105.07079	1.0
107.05027	0.6
109.06573	1.2
111.08150	0.8
113.02445	3.8
115.05511	3.0
119.03439	0.6
123.08115	1.6
125.02473	0.8
125.09728	9.9
129.07077	0.5
131.05029	0.9
133.05054	0.6
133.10225	1.0
135.08142	1.5
145.05083	1.4
146.42136	0.5
161.04564	1.4
163.11282	1.1
165.12923	0.6
185.11853	3.8
187.09698	1.0
187.14896	3.7
189.12878	1.0
191.10681	1.2
195.11732	1.0
201.12833	1.0
203.14331	0.7
205.12289	1.4
209.11821	10.0
210.12102	0.5
211.13249	0.5
213.12839	6.3
215.10835	1.2
231.13887	13.0
233.11693	2.8
233.15207	0.5
235.08061	2.6
235.13335	1.2
245.15201	0.5
247.13310	1.0
249.14935	2.2
253.09390	0.6
257.15335	0.6
271.17035	0.5
285.15042	0.7
289.14697	0.5
329.24814	1.2
339.19754	0.6
339.23218	2.4
355.22748	0.6
357.24377	1.1
364.69302	0.5
365.21198	1.4
373.23761	1.7
383.22281	14.2
384.22391	1.0
391.24792	0.8
401.18219	0.7
401.23343	13.1
402.23730	0.8
419.24405	3.9
445.20712	0.8
457.25717	0.6
567.28290	0.8
609.32874	0.9
619.31207	100.0
620.31555	12.2
637.32251	16.6
638.32690	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	636.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86740	0.4
55.38795	0.4
73.77126	0.4
78.95480	0.8
78.95903	9.5
96.53887	0.5
112.47717	0.5
130.42741	0.4
140.01196	4.6
152.99599	0.6
155.14420	4.1
183.13890	1.6
196.03780	1.8
199.13293	0.4
201.14957	100.0
202.15289	3.6
255.23296	34.9
256.23605	1.9
305.63525	0.4
380.18555	0.6
452.27957	3.4
457.29865	0.5
487.37665	0.4
526.26569	0.5
573.68958	0.5
636.42413	21.9
637.42780	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	637.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01379	17.3
60.99300	0.6
61.98831	3.5
69.03448	1.8
71.01386	9.9
71.05022	0.9
71.52375	0.6
71.52855	0.8
72.99313	0.9
73.02949	7.6
83.01386	1.9
83.05009	0.8
85.02953	3.7
87.00867	1.3
87.74951	0.6
88.98801	0.8
89.02444	5.1
95.01418	0.9
96.96035	0.9
99.00877	1.0
101.02441	9.6
111.08176	1.6
113.02433	6.3
116.92855	0.8
119.03481	1.7
119.87007	0.6
121.31982	0.5
125.02457	0.8
131.03476	0.7
135.04459	0.7
143.03496	1.4
143.04633	0.6
149.04552	0.7
161.04550	2.3
165.12839	25.3
166.13161	0.9
173.04510	0.9
179.05577	1.2
183.13885	64.6
184.14185	2.3
190.38565	0.6
195.13925	0.6
197.15506	1.0
203.05609	1.7
207.13899	4.3
209.11833	2.5
225.15007	1.7
227.12874	100.0
228.13174	4.1
233.11690	1.0
237.14885	0.7
249.14862	0.8
251.12868	10.9
263.12823	1.6
265.14594	1.1
269.04474	1.1
269.13910	2.4
269.17529	1.1
275.12848	0.7
281.13922	1.9
293.13925	5.9
335.14905	1.6
371.17090	1.2
386.79718	0.6
389.18124	13.0
390.18668	0.8
431.19193	8.5
628.16748	0.8
637.30847	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	635.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.73928	0.5
70.00002	1.1
70.00395	1.3
71.01394	2.4
79.64188	0.6
80.88618	0.5
89.02445	3.8
101.02454	1.8
113.02456	1.1
119.03522	1.7
165.87212	0.6
187.30171	0.6
242.75491	0.6
352.81058	0.7
595.76324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38409	1.2
59.01373	5.0
61.98832	100.0
71.01405	2.0
72.22658	1.1
77.25889	1.0
87.00868	1.3
89.32352	1.0
91.02793	1.1
101.02438	2.7
125.09756	4.3
139.11292	1.7
171.10143	1.9
185.11819	5.1
187.09799	1.2
209.11795	4.1
265.21634	2.4
293.21164	1.2
309.20822	1.6
327.21796	2.2
449.58658	1.3
573.29211	24.2
574.28656	1.3
637.31689	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	636.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57082	0.4
59.01379	1.2
59.15865	0.4
60.48240	0.4
61.98832	100.0
71.01389	0.8
71.51897	0.4
71.52288	0.4
76.54247	0.5
139.47748	0.4
187.47166	0.4
208.58812	0.5
237.15974	0.4
290.23688	0.5
401.23590	0.8
491.34354	0.5
526.15851	0.5
637.32135	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	635.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.9
63.01740	1.1
70.77586	3.0
71.01406	1.3
71.05025	3.6
72.99322	1.2
85.02956	1.1
85.06592	17.3
87.00882	8.2
87.08155	1.7
89.35554	1.0
96.96040	1.5
103.00382	4.8
112.37921	1.0
112.98159	1.4
112.98829	12.8
113.06099	1.5
131.07149	100.0
132.07533	2.5
135.04556	5.4
141.36493	1.0
149.00107	0.9
149.00958	10.3
160.33739	1.3
173.04550	4.2
190.71164	1.0
191.05620	1.1
263.07724	49.7
371.09738	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	635.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94265	0.9
57.03430	1.1
59.01382	7.4
61.98828	8.5
66.40489	0.7
67.01882	1.7
68.99567	9.3
71.01374	4.6
71.52046	1.3
75.00861	1.7
83.01435	0.9
84.79155	0.8
85.02951	6.7
87.00921	2.1
89.02464	1.5
93.02872	1.3
93.03454	13.4
93.99642	0.8
101.02387	1.0
109.02941	1.7
111.04514	2.7
112.98578	11.6
113.02493	1.0
117.03441	9.6
125.02488	1.1
125.09702	3.2
126.10014	1.2
127.03982	1.4
133.02951	3.0
134.03737	2.7
135.00896	1.3
135.03497	1.7
135.04526	32.9
137.02419	2.6
145.02927	1.4
155.03450	2.0
158.71481	0.8
161.02444	32.2
162.02745	1.3
163.00366	13.1
171.10257	2.7
173.02322	2.6
173.04541	50.6
175.03957	2.6
178.42740	0.9
179.03502	24.7
184.52753	0.8
187.09790	2.1
190.02759	0.9
191.05609	37.7
192.06052	1.0
193.05022	2.7
205.05046	1.8
209.11813	0.9
223.13184	1.4
235.08072	1.1
237.05621	1.0
238.31876	0.9
253.05150	1.7
255.27811	0.9
269.04538	25.1
270.04947	2.3
281.04538	100.0
282.04813	5.5
295.06046	3.7
341.26819	1.5
353.08759	44.3
354.09064	1.6
385.26016	4.8
386.25119	1.1
417.09723	10.5
443.07697	40.7
444.07620	4.6
634.32068	1.0
634.72070	1.3
635.32587	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	634.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78331	0.3
61.98829	1.0
67.55246	0.3
71.55620	0.3
78.95906	9.7
78.96375	0.5
96.96955	0.6
122.00184	0.8
135.24513	0.5
140.01175	4.7
151.35979	0.4
153.12894	0.6
155.14526	0.5
181.12340	1.3
196.03857	2.3
199.13390	100.0
200.13728	3.5
255.23291	34.4
256.23651	1.6
342.29367	0.5
378.16772	0.8
396.17709	0.5
434.26849	0.9
452.27798	4.0
634.40808	14.5
635.41010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.2
57.49967	0.8
59.01390	7.4
61.98834	7.2
68.99799	1.5
71.01387	5.7
73.02924	1.5
73.72889	0.9
85.02908	1.4
87.00867	1.5
89.02439	2.5
90.22836	0.9
95.04999	1.5
96.00485	0.9
96.95988	2.8
97.06582	7.9
101.02444	5.4
103.98540	0.8
113.02446	2.9
123.08177	6.1
125.02420	1.2
125.09726	65.8
126.10051	2.0
151.11220	1.8
161.04543	1.4
167.10698	1.2
169.08650	2.1
171.10220	2.4
185.11824	20.5
185.13449	1.1
187.08115	1.8
187.09747	29.1
195.10280	21.3
201.11346	6.2
202.11790	1.0
209.11842	1.2
213.11328	10.3
227.12907	14.2
235.08188	1.2
253.09276	3.9
405.17435	2.0
423.18591	5.2
431.18753	2.2
449.20215	4.8
463.21558	1.0
566.27240	1.1
573.29272	3.1
601.17261	1.0
601.28485	1.4
633.31238	100.0
634.31506	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	633.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99967	3.7
57.03436	10.6
59.01380	53.1
61.98842	41.1
64.73738	3.2
67.48745	4.2
68.19262	3.7
69.43215	3.7
71.01379	17.2
73.02938	7.6
74.76511	3.5
76.80717	3.8
84.48431	3.7
85.02956	8.0
87.00846	8.3
88.98840	3.9
89.02441	6.9
95.01391	3.9
96.96015	6.8
97.06574	14.9
101.02429	14.0
113.02460	8.2
113.83338	3.7
119.04957	4.2
123.08161	10.7
125.09725	62.5
139.11247	8.6
153.09167	5.7
155.10742	11.7
161.04477	5.0
165.09131	8.0
165.12831	4.7
170.92203	4.3
171.10287	35.6
183.10420	7.6
183.13899	36.0
185.11792	4.5
187.09784	37.2
201.11307	13.5
202.11610	5.0
235.08086	9.3
253.09085	7.4
316.73972	4.6
319.19077	16.0
337.20178	25.9
355.21146	20.8
397.96570	4.4
427.21567	4.8
512.70050	3.8
573.29114	100.0
574.29712	11.6
577.60388	3.8
633.31134	83.6
634.30731	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	633.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01383	4.0
61.98835	5.0
69.03425	0.6
70.03004	0.6
71.01372	3.8
72.99310	17.7
78.95899	0.8
83.01391	1.3
85.02957	2.1
87.00884	0.9
89.02439	1.5
89.03950	1.2
93.03484	1.0
96.96027	3.6
96.96950	0.7
98.20703	1.0
99.00880	1.6
101.02462	2.3
109.02957	0.6
113.02453	3.4
117.03476	3.2
119.05030	100.0
120.05389	2.4
121.02967	1.7
123.04539	1.0
125.02438	1.6
128.03569	1.1
132.02184	2.4
133.02962	1.1
133.31866	0.6
134.03746	35.0
135.04570	4.2
137.02428	3.1
139.04025	1.4
143.04620	1.4
145.02997	4.3
145.03955	0.6
149.06050	5.4
150.03233	0.6
151.03958	1.1
160.01668	10.1
161.02472	3.9
162.03227	1.3
163.04012	64.9
164.04382	2.1
165.01926	1.2
175.03975	12.4
177.05545	1.2
178.02734	8.2
179.03462	3.5
191.05617	0.9
193.05052	24.8
195.06671	0.7
205.05083	1.3
219.06668	0.8
273.07837	1.0
277.07175	1.7
289.07233	0.7
307.07996	0.7
325.09207	0.8
439.12424	14.0
457.13504	66.9
458.13834	4.1
487.55258	0.8
494.62167	0.6
633.18103	16.6
633.36108	1.1
634.18585	1.6
644.62592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76612	2.5
52.22766	2.5
53.40587	2.4
59.01369	2.8
61.98833	3.0
71.01362	3.9
71.51809	4.1
74.11325	2.3
74.25427	2.5
74.73359	2.7
77.26506	2.6
93.03462	11.7
95.13890	2.4
96.96023	2.8
102.92955	2.4
108.02163	16.1
109.02966	32.5
115.00369	4.8
119.05012	4.2
121.02987	3.1
122.03747	7.3
123.04546	5.3
125.02438	9.2
133.02914	3.5
135.04486	7.0
137.02428	17.3
143.05023	4.2
147.34288	3.1
163.03990	4.4
173.04523	5.9
175.03967	3.0
179.03488	4.0
191.05583	7.5
219.81599	2.5
226.06375	14.1
227.07150	14.6
253.08757	4.8
255.07495	5.4
255.10236	100.0
256.10593	7.3
265.08585	3.3
289.07199	13.3
299.09140	4.2
327.08740	38.0
343.04065	5.0
343.08203	69.2
481.07623	4.1
501.13998	3.2
578.83063	3.2
641.65271	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	632.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33907	0.8
59.01389	1.0
68.07686	0.9
71.01388	3.7
71.51881	1.3
72.00906	0.9
79.95718	1.0
85.02942	1.4
85.26272	0.8
88.04041	23.3
93.03452	3.1
93.27991	0.9
96.96013	31.4
97.95959	0.9
98.95573	1.7
99.92607	1.1
111.04535	1.1
114.01952	3.6
115.00369	9.7
117.17284	0.8
119.05022	9.1
125.02400	1.7
127.15409	0.9
132.03032	100.0
133.03453	1.0
135.04543	7.9
137.02417	1.1
145.02940	2.1
163.04070	4.1
173.04549	9.7
179.03497	6.6
181.04996	0.9
191.05621	7.5
192.05899	1.1
243.06184	0.9
272.10086	1.2
278.06693	46.8
279.06952	2.0
306.69025	0.9
311.27930	0.9
323.19797	1.0
327.08722	2.3
353.08783	7.5
360.07880	2.0
426.56552	1.0
534.13348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44520	0.5
55.01620	0.5
55.01873	0.7
56.04964	0.5
57.03441	3.5
58.02464	0.6
59.01381	5.1
60.89922	0.5
61.98817	1.8
69.03445	1.2
71.01378	4.5
71.04990	0.9
71.51836	0.6
71.52287	1.1
73.02950	1.3
83.01365	0.7
83.05014	0.9
85.02942	0.9
85.97747	0.6
87.00875	1.0
89.02446	3.2
95.01378	0.8
95.05027	1.2
97.02971	1.3
97.06584	9.4
99.00870	1.5
101.02451	4.2
109.06543	0.8
113.02438	2.3
123.08163	5.2
125.02476	1.6
125.09724	66.4
126.10042	1.8
127.11224	0.9
135.08202	0.7
142.02641	0.8
143.10690	0.7
149.02458	0.5
151.04016	0.8
161.04546	1.7
161.09676	0.8
163.11273	2.8
169.08725	1.9
171.10268	10.4
179.05623	0.8
179.10732	1.6
181.12332	5.8
185.11784	2.5
187.09752	46.3
188.10049	1.2
197.11829	8.1
201.11317	2.4
207.08350	1.0
207.10245	13.7
209.11769	2.6
211.13385	1.3
225.11322	21.6
226.11646	1.1
227.12761	0.7
235.08223	1.4
241.14371	0.8
243.12404	2.7
253.09326	2.6
289.07220	2.0
396.46780	0.6
405.17480	4.0
423.18671	9.9
461.20206	3.8
487.25214	0.7
599.96643	0.6
631.29700	100.0
632.29919	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	631.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37199	0.7
51.72904	0.6
54.35741	0.7
58.71681	0.7
59.01375	1.2
61.98820	2.0
69.50224	4.3
69.50626	1.4
70.32327	0.6
71.01377	0.8
81.03489	1.0
85.31052	0.6
85.67646	0.7
87.89230	0.7
95.05027	1.1
97.71548	0.8
108.02168	1.1
109.02950	30.1
112.02325	0.7
112.03072	0.8
113.76936	0.9
117.03498	0.8
121.02966	1.3
123.04533	13.9
125.02421	1.6
133.02943	3.7
134.03786	1.0
135.04527	19.7
145.02890	1.7
147.04506	2.5
149.02470	1.0
150.03177	1.1
151.03995	9.3
152.04414	0.8
159.04485	2.2
161.02435	8.6
161.05949	1.0
163.03928	1.3
173.04599	0.8
173.06015	1.2
175.03949	1.1
176.00989	0.8
177.01930	21.7
179.03503	2.0
184.58324	0.8
187.03989	2.1
189.01929	45.7
189.05573	2.1
190.02721	9.5
191.03488	11.1
195.78850	0.7
203.03491	12.6
205.05011	1.5
213.05527	2.0
215.03508	14.0
216.00650	4.8
216.04213	2.7
217.01398	34.0
217.04956	2.3
218.02040	3.1
219.02989	12.6
229.05061	0.8
231.03004	10.8
232.03487	0.8
233.04613	1.0
242.02261	2.3
242.05269	0.8
243.03024	7.0
244.03522	0.8
245.04521	3.1
254.37328	0.7
257.04526	2.2
276.20544	0.8
281.04758	1.7
289.07217	4.8
297.07767	1.7
299.05640	2.6
307.05908	1.0
315.08823	1.0
323.05579	2.4
325.07159	3.1
341.06653	100.0
342.06940	5.8
367.08173	29.2
368.08447	2.2
393.06244	1.4
451.10321	77.0
452.10608	6.5
460.44473	0.8
477.05481	0.6
477.11813	16.2
478.12601	1.6
503.09891	4.4
521.10559	2.1
613.13605	2.6
631.14221	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	629.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84853	0.9
50.87814	0.8
57.03429	2.3
59.01379	6.5
61.98818	3.3
68.64379	0.9
69.03460	1.1
69.43879	3.9
69.44295	2.7
71.01386	4.9
75.70882	0.9
83.05000	0.9
89.02440	4.7
89.17375	0.9
95.05048	1.4
96.95957	1.1
97.06570	12.5
98.20743	0.8
101.02414	2.5
113.02437	2.6
119.03465	1.3
123.08147	6.3
125.02419	1.0
125.09718	90.7
126.10042	2.0
143.10776	1.9
169.08664	3.0
169.12305	1.0
173.05589	1.0
177.54695	1.0
185.11766	1.3
187.09749	67.6
188.10068	1.6
195.13861	2.5
197.11801	2.0
197.15514	1.9
201.11398	1.7
205.12325	2.1
209.11818	1.6
223.13388	9.9
225.11177	1.0
253.09244	2.6
261.13376	2.0
405.17688	4.9
423.18701	18.0
548.40192	1.2
629.31708	100.0
630.32007	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	629.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.2
59.01389	4.5
61.98832	3.9
63.26844	0.9
69.03434	2.4
71.00059	1.9
71.01371	3.4
73.02934	1.5
83.05029	1.8
85.22858	0.7
87.00877	1.7
89.02422	2.5
95.05054	1.6
97.06591	11.5
97.74332	0.8
101.02467	4.5
113.02415	3.0
123.08167	5.8
125.09730	77.5
126.10027	2.8
143.10712	1.0
143.56099	0.8
145.05046	2.0
161.04532	1.8
164.10193	0.8
167.10806	1.4
169.08728	2.0
169.12283	0.9
172.04208	1.1
175.44302	0.9
179.14400	2.7
186.86650	0.9
187.09760	38.6
195.13887	6.1
196.14001	0.8
197.11711	2.0
201.11285	2.2
205.12309	4.9
209.11879	1.2
211.13443	1.1
223.13396	30.1
224.13698	1.7
235.08211	2.9
253.09274	2.9
289.07025	0.9
331.80829	0.9
405.17636	6.0
423.18622	5.7
459.22281	3.8
595.10632	0.9
629.31744	100.0
630.31958	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	629.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40925	0.8
57.03445	2.1
59.01384	24.6
61.98844	1.7
69.03429	0.9
69.51413	6.7
71.01384	21.9
72.99310	7.0
73.02942	1.3
74.56683	0.9
75.00876	6.0
81.03478	1.0
83.01386	1.5
85.02961	11.4
87.00904	4.3
89.02457	9.3
90.14313	0.8
93.03467	1.3
95.01389	3.5
96.96008	1.8
99.00905	8.8
101.02455	8.5
103.00366	1.1
109.02968	2.2
113.02464	11.2
115.00407	1.1
117.01956	1.3
119.03511	3.3
119.05020	1.8
125.02447	1.8
129.01886	1.2
133.02937	2.4
135.03313	0.8
135.04494	1.2
137.09682	2.5
155.10826	8.5
163.04002	1.2
166.65340	0.8
167.03464	2.5
168.03850	1.1
169.03986	1.1
173.04552	2.9
177.01938	2.4
181.08736	1.0
189.01923	1.3
191.05614	1.7
199.09770	10.9
217.10907	1.6
221.70670	0.9
235.02692	1.2
249.06250	3.9
252.13025	0.8
267.07059	1.7
379.16211	1.0
449.16629	1.6
467.17627	1.3
476.12811	1.0
509.12134	2.2
539.13092	1.3
549.09814	0.9
611.22546	1.7
629.23016	100.0
630.23413	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	629.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51659	0.8
59.01374	12.4
61.98817	1.6
67.14063	0.8
69.16430	9.6
71.01376	4.8
72.99299	1.0
85.02958	1.6
88.08829	0.8
89.02442	2.0
91.27888	0.9
91.63454	0.9
98.20662	2.0
101.02432	2.0
109.02953	1.0
113.02440	1.5
117.03433	6.8
119.03451	1.2
131.01390	1.9
150.03192	1.1
154.56006	0.9
161.02408	1.0
165.05502	2.6
173.02415	4.9
175.00401	5.3
177.01874	1.3
192.75661	1.0
194.42665	0.9
195.06548	1.2
249.05650	1.0
251.03542	1.0
265.04767	1.2
269.04514	1.2
270.63742	0.9
283.06122	2.8
289.07007	1.1
293.04556	100.0
294.04935	5.9
311.05554	5.2
323.05838	1.7
359.15018	4.2
363.59802	0.9
407.16995	1.8
413.08728	36.3
414.08884	2.0
593.15088	60.1
594.15039	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	629.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01150	1.5
59.01387	14.7
61.36336	1.3
69.50493	7.4
71.01385	5.1
85.02967	1.9
88.98809	2.6
89.02460	3.3
98.20652	2.6
101.02445	3.2
117.03499	7.2
131.01407	1.8
149.02409	2.4
150.03221	2.0
161.02440	1.7
164.04822	1.6
165.05623	2.5
172.01303	1.3
173.02422	6.0
175.00369	6.3
177.02029	3.4
195.06606	4.1
207.34361	1.4
283.06128	3.3
289.19183	1.5
293.04584	100.0
294.04956	7.1
311.05533	6.7
339.04932	2.2
359.14902	6.0
405.36472	1.4
407.17096	2.3
413.08798	35.7
414.09134	3.0
593.15118	59.8
594.15387	6.3
629.15320	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	627.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13235	7.3
52.96737	6.6
64.52708	7.3
69.62859	50.8
71.22057	8.4
79.38817	7.1
93.03466	22.7
98.20667	10.4
111.04571	7.3
119.05032	16.4
123.01403	7.6
130.43919	8.2
155.03574	7.2
163.04047	21.6
173.03107	12.1
173.04535	100.0
180.04282	8.6
191.05545	36.1
252.04169	7.6
285.55246	8.6
337.09399	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	627.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
70.93805	1.0
71.01385	2.9
72.48035	1.0
73.95792	0.8
81.03457	6.3
83.01396	3.0
85.02946	2.2
87.00880	1.6
95.05031	3.1
97.02984	2.3
99.04526	4.1
108.02252	1.3
109.02959	29.0
113.02515	1.1
119.05069	1.0
121.02977	3.2
123.04523	4.1
125.02433	8.2
133.02962	32.4
135.04549	1.4
137.02444	3.0
139.04079	1.3
147.04498	1.4
148.01608	1.3
149.02452	9.9
150.03235	2.8
161.02423	2.4
163.04018	4.5
165.01942	6.7
167.03497	47.2
175.00307	1.4
177.01965	9.2
178.02666	2.3
179.03558	3.3
180.04253	2.7
191.03519	6.5
191.05623	9.8
192.00589	1.1
193.01401	7.6
193.02913	1.3
195.06636	2.6
197.04515	3.3
205.01399	19.0
206.02200	71.9
207.02866	4.8
209.04552	10.1
217.01367	5.9
219.02901	1.5
221.04565	1.9
225.07729	2.8
231.02968	2.2
233.04552	3.1
234.01723	5.1
235.02470	53.6
236.02821	2.5
238.01158	1.8
239.05557	2.1
247.02470	3.0
259.02448	9.3
265.03497	4.4
269.06635	1.7
277.03476	7.2
277.06403	1.0
287.07748	1.5
307.04416	1.3
327.04999	1.6
329.08841	5.9
337.09250	2.1
345.06134	31.1
355.06396	2.2
369.06067	3.2
371.09851	1.5
375.07242	2.4
387.07465	1.9
397.07736	100.0
398.08109	4.8
427.08737	7.2
449.13013	1.7
465.10187	1.2
499.11209	1.4
507.11420	28.7
508.11560	2.6
517.11768	8.4
537.12604	2.1
567.26343	1.6
627.18695	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	627.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86197	1.3
55.70566	1.5
57.03439	2.1
69.03447	1.7
71.09164	3.5
81.03454	17.0
83.01394	11.4
85.02962	1.4
87.00867	1.6
95.01408	2.9
95.05028	7.8
95.78748	1.5
97.02953	10.7
99.04502	9.8
99.44003	1.7
107.05058	2.4
108.43417	1.5
109.02337	1.6
109.02925	8.4
109.29126	1.6
111.04542	3.7
113.02488	1.8
121.02961	5.6
121.06549	2.0
123.04533	26.7
124.01657	1.5
125.02452	43.4
129.34337	1.5
133.02954	27.0
135.04543	2.7
137.02440	11.5
137.06113	2.7
138.03175	1.6
139.03995	5.8
145.60468	1.6
147.04506	1.6
149.02464	3.3
151.04013	6.5
153.05574	3.0
161.02420	1.6
163.04004	2.9
165.01881	4.5
165.05562	3.6
167.03496	69.4
175.03957	2.2
177.01897	8.6
179.03503	14.3
181.05103	2.1
191.03423	3.8
193.01471	1.5
193.05048	2.4
197.04556	15.0
206.02238	3.7
207.02937	1.7
209.04544	100.0
210.04787	3.1
220.03621	2.1
221.04507	3.3
235.02481	4.3
239.05588	67.8
247.02559	1.7
251.05547	7.2
265.03458	1.9
269.06662	23.4
270.06891	1.8
277.03506	17.8
281.06738	2.9
287.07739	4.2
307.04565	7.0
311.07745	6.2
329.08832	15.4
337.05893	3.0
341.08691	5.4
359.09802	4.7
369.06351	1.4
387.02222	3.3
387.07178	62.9
388.07672	4.8
397.07739	3.5
399.06833	2.6
417.08289	30.6
418.08347	2.2
429.07803	1.9
447.09100	8.5
449.12900	6.0
459.09610	2.1
489.10342	6.7
507.04477	2.7
507.11453	30.0
508.11450	2.8
537.12762	5.1
627.16174	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	626.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15464	0.7
59.01387	4.9
61.98835	34.1
71.01389	2.8
71.28957	1.3
80.70085	0.7
89.02457	2.6
117.03449	6.2
131.01419	1.2
173.02480	3.3
175.00337	5.1
186.40785	0.7
225.75664	0.7
249.05649	1.0
269.04474	1.7
281.04538	1.6
282.05359	0.9
283.06168	3.6
293.04572	100.0
294.04877	5.7
301.32220	0.8
311.05692	7.3
323.05588	1.6
336.81174	0.8
413.08801	36.7
414.09009	2.5
563.14075	64.2
564.14117	7.6
650.98901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03457	4.1
58.00591	1.1
59.01384	25.9
61.98827	7.6
65.95068	0.9
67.01885	1.4
68.99796	1.2
69.03454	2.3
69.18138	0.8
71.01383	23.3
71.21154	1.8
72.99303	5.0
73.02951	4.6
75.00871	12.4
81.03488	0.9
81.84869	0.9
83.01402	3.2
85.02952	15.5
87.00883	6.7
88.98811	3.7
89.02441	14.7
93.03483	1.4
95.01378	3.8
97.02982	1.4
99.00882	6.6
101.02448	10.1
103.00371	2.0
109.02946	13.8
111.00883	1.1
111.08185	1.6
113.02450	17.3
115.00363	1.0
115.04058	1.0
117.01940	1.5
117.03475	4.3
119.03513	2.6
123.04531	1.1
124.33352	0.8
125.02461	5.5
129.01962	1.2
131.03502	1.5
133.02928	0.8
135.04547	1.5
141.12874	0.8
142.04915	0.8
143.03482	1.3
161.02458	1.7
161.04555	1.8
165.01953	0.8
165.12868	7.3
175.02472	0.9
177.01880	1.1
179.05621	1.9
183.13902	56.6
184.14240	3.3
185.02615	1.2
185.11868	3.8
189.01947	1.3
190.02718	1.4
191.05672	0.9
201.01924	4.2
202.99832	1.0
205.05132	1.0
213.01920	2.0
215.03490	1.4
217.01370	4.2
221.06642	1.1
227.12897	8.1
229.01619	1.0
231.02977	3.0
235.08096	1.1
243.03099	2.6
245.00876	2.1
245.56010	0.8
249.06149	8.0
255.03258	0.9
273.04056	2.0
281.21228	1.2
307.06131	5.8
313.64005	0.9
321.04071	1.9
327.25250	1.0
329.23303	2.8
333.04184	1.2
334.04892	3.6
335.05609	8.7
353.06802	2.2
357.26324	2.1
363.05179	9.3
365.06793	1.9
366.03711	1.9
367.08163	1.4
373.26007	2.6
375.05121	0.9
375.27509	56.7
376.27866	3.2
393.06073	6.6
394.06760	1.4
395.07678	21.0
396.08228	2.7
397.13583	3.9
407.07721	1.6
415.14554	3.7
425.08749	13.1
426.08899	1.6
468.40103	0.9
497.11044	3.5
498.10876	1.1
505.11368	4.6
515.11957	41.8
516.12531	3.9
625.14764	6.7
625.26733	60.5
625.34521	100.0
626.16711	1.7
626.27124	6.5
626.36169	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	625.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03447	3.7
59.01378	10.4
61.98823	2.6
65.69115	0.4
66.21842	0.4
67.01888	0.8
68.54153	0.4
68.99808	0.8
69.03448	0.9
69.31846	1.6
69.32269	2.2
71.01382	10.0
71.05020	0.5
72.99316	4.5
73.02938	1.3
75.00869	11.8
81.03466	0.6
83.01388	1.2
85.02950	11.3
87.00871	3.7
88.98796	1.0
89.02441	2.5
93.03476	0.8
95.01395	3.8
98.20612	0.9
99.00886	6.5
101.02458	1.1
103.00356	1.2
109.02988	0.7
111.00893	0.8
113.02461	11.2
115.00336	1.7
117.01936	1.8
121.02938	0.5
123.08017	0.4
125.02441	2.6
128.03526	0.8
129.01927	1.0
135.04529	1.1
143.04642	0.9
151.03984	0.7
161.02490	0.7
171.10274	1.3
175.02443	1.3
183.13936	1.0
191.05600	3.6
209.11801	0.6
249.06161	8.4
267.07196	0.7
286.07657	0.5
289.07175	0.7
311.22430	0.5
327.25424	1.0
329.23303	3.6
357.26477	2.7
373.25775	0.9
375.27499	51.2
376.27808	4.6
477.19757	1.0
505.11063	0.5
521.33374	0.9
607.33105	1.1
625.34393	100.0
626.34607	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	625.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40575	0.6
51.92629	0.6
57.03245	0.5
57.03453	6.2
59.01381	14.8
61.74301	0.5
61.98832	5.3
68.99825	1.1
69.03468	0.9
70.09576	0.8
71.01386	11.0
71.52453	1.0
72.99308	3.1
73.02950	2.7
75.00882	10.1
83.01374	1.3
85.02953	13.3
85.03464	0.9
87.00876	3.6
88.98828	4.0
89.02444	3.9
93.03461	2.2
95.01396	3.7
95.05057	1.3
96.96024	1.0
97.02958	1.1
99.00897	5.5
101.02454	2.5
103.00396	2.2
109.02971	4.2
111.00863	0.8
113.02455	13.7
113.09729	0.9
115.00346	0.9
117.01977	1.4
117.03469	1.0
119.05073	1.4
121.02934	2.1
122.03784	1.0
123.04508	6.3
125.02453	24.7
126.02779	0.9
129.01971	1.3
133.03003	1.3
135.04567	3.1
137.02432	3.3
149.02467	1.2
150.03299	1.4
151.04047	6.4
157.12285	0.6
160.01538	1.0
161.02452	6.5
162.03094	1.0
163.00435	0.8
163.04024	1.0
165.01938	1.7
165.04083	1.1
165.05553	0.6
167.03500	3.6
173.04539	2.0
175.02530	1.6
175.04030	2.0
176.07294	0.6
177.01918	2.5
179.03493	1.8
179.07140	2.7
187.03998	0.9
189.02054	0.8
190.02730	0.9
191.05646	3.1
191.07211	0.8
199.13434	3.8
201.01869	0.8
203.07056	1.5
205.05037	0.8
205.08806	1.0
223.09770	2.5
231.05113	0.8
243.03003	1.9
245.04672	1.1
245.08334	1.6
249.06197	5.9
267.07367	1.0
269.04654	1.1
287.05682	2.2
289.07129	6.7
290.07434	1.0
293.04462	1.0
308.06946	0.9
309.08102	0.9
311.05673	1.1
311.22440	0.9
329.23367	2.6
333.26364	0.6
337.07205	1.5
341.10577	0.8
357.26596	1.6
375.27527	45.2
376.27945	3.4
407.07770	2.3
433.09286	1.1
451.10501	1.3
505.13510	1.3
505.21118	0.8
521.33405	4.9
522.33783	0.8
607.33350	1.0
625.34503	100.0
626.34875	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93069	0.6
57.03439	1.5
58.00587	0.7
59.01379	23.3
59.72619	0.6
61.98825	3.1
63.36806	0.6
69.03439	1.4
69.16380	6.1
71.01015	1.1
71.01380	15.9
72.99287	2.4
73.02931	2.5
75.00867	2.6
77.15536	0.6
81.03448	0.6
83.01366	1.8
85.02953	5.3
87.00877	3.7
88.56818	0.6
89.01938	1.0
89.02447	13.6
91.03980	0.6
93.03355	0.5
95.01406	1.4
97.02907	1.8
98.20684	1.1
99.00854	1.5
101.01810	0.7
101.02439	12.0
102.88517	0.6
109.02930	1.8
111.00886	0.8
111.15002	0.5
113.02449	6.2
117.03508	1.0
119.03502	3.3
125.02444	3.7
135.04445	0.7
143.03462	1.7
161.04503	1.8
165.12859	9.4
179.05521	1.6
183.13895	65.4
184.14183	2.6
185.11856	0.5
209.11719	1.4
217.01468	0.7
221.06572	1.8
227.12894	8.9
235.08093	1.8
249.06062	1.5
272.82455	0.5
304.26874	0.6
305.08545	0.7
363.05069	1.3
363.82181	0.7
375.23108	0.8
375.27490	8.2
376.27704	0.8
395.07941	2.8
397.13589	7.6
415.14713	5.0
425.08716	0.9
515.11810	4.5
607.25671	0.7
625.26697	100.0
626.27252	10.7
626.36218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
59.01371	3.8
61.70212	0.6
61.98813	2.5
69.31762	6.3
71.01373	3.0
73.02919	1.0
75.00882	0.8
85.02934	4.0
87.00861	0.6
88.98801	2.5
89.02454	1.5
91.01859	0.8
93.03425	2.5
97.75632	0.7
98.19894	1.3
101.02413	1.8
108.02164	1.7
109.02949	31.3
110.03362	0.7
113.02465	0.9
117.03471	8.6
119.05035	2.3
121.03033	0.7
123.04514	1.9
125.02457	7.2
135.04532	1.6
137.02429	1.3
145.02899	1.4
149.02409	0.9
151.00282	0.9
151.03990	2.4
161.02367	3.5
166.89644	0.7
173.02390	1.5
173.04579	0.8
175.03961	1.2
177.01886	2.1
179.03503	1.2
185.02406	2.1
187.03958	1.7
189.01915	3.1
190.02689	2.1
191.05615	18.8
201.01918	10.3
202.99817	3.0
203.03506	1.3
205.05029	1.1
213.01913	4.6
214.02838	0.8
215.03511	5.6
217.01414	10.7
225.01971	1.3
227.03474	0.8
229.01381	1.4
231.02966	9.3
232.03471	0.8
233.04340	1.1
241.05098	0.9
243.02919	6.2
245.00909	4.7
245.04536	1.9
249.05734	1.2
257.00897	1.0
271.06079	1.3
273.04080	3.9
275.02145	1.3
277.04990	1.9
279.06699	1.3
283.06079	0.9
289.07156	1.7
293.04453	3.7
295.06168	0.7
297.07690	0.9
299.02121	0.8
300.71887	0.7
305.04395	1.8
306.05182	1.6
307.06113	14.1
309.07559	1.2
311.05576	1.4
319.06189	1.7
321.04001	3.2
323.05685	1.4
333.04108	4.1
334.04773	7.8
335.05539	14.5
335.09363	1.2
337.07050	1.3
349.07040	1.3
353.06345	3.4
363.05078	26.4
364.05347	1.0
365.06635	4.4
366.03494	4.1
366.07584	0.9
367.08270	3.4
375.05060	1.4
379.08224	1.0
393.06134	17.2
394.06238	1.2
395.07693	56.0
396.08020	3.9
405.06192	0.9
407.07709	3.7
425.08746	31.3
426.08920	2.4
433.09268	1.1
435.07410	0.9
437.08792	1.2
451.10272	1.3
473.08560	0.9
483.09399	3.0
493.30157	1.1
497.10983	8.8
505.11426	9.0
515.11914	100.0
516.12341	7.6
553.23798	0.8
593.12524	1.4
625.15588	22.5
625.24847	1.7
625.34003	1.5
626.15961	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.6
59.01375	23.9
61.98820	4.1
64.62627	1.1
69.03469	1.3
69.50685	2.3
69.51080	7.4
71.01376	10.8
72.99307	1.9
73.02943	2.9
75.00873	3.9
80.43978	1.1
83.01387	2.0
83.17208	1.0
85.02949	5.5
87.00865	2.4
89.02419	2.2
99.00861	2.2
101.02438	4.6
113.02436	5.5
118.14877	1.1
119.05016	1.5
125.02414	2.1
129.71671	1.0
143.10820	1.5
145.14612	1.1
149.02386	1.6
175.00365	1.2
175.02406	1.4
183.13910	2.6
190.02669	3.0
205.05063	2.6
205.66566	1.2
249.06143	2.3
269.04434	1.3
269.21115	1.5
282.98917	1.0
334.09567	1.1
345.86670	1.2
373.25928	8.9
375.27533	11.7
376.27960	1.1
519.31482	11.4
537.32776	29.7
538.33215	2.5
579.33826	100.0
580.34155	10.5
623.23950	1.9
623.32953	27.0
624.33051	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50278	1.1
69.93452	2.7
69.93849	2.6
71.55106	1.3
71.98970	1.0
79.01896	1.8
83.01385	1.2
93.03477	2.2
94.33083	1.2
95.01385	1.3
96.33556	0.9
107.01379	2.8
107.05013	1.1
109.02926	2.7
111.00853	2.0
117.47038	1.1
119.05011	4.1
121.02943	4.6
123.04534	2.3
125.02454	6.8
135.04526	3.6
137.02444	3.9
139.03987	2.6
147.04575	1.6
148.01659	2.1
149.02437	26.7
150.03151	3.1
151.00337	5.0
151.04022	6.8
161.02422	1.2
163.00369	2.7
163.04025	6.5
165.01930	5.7
167.03467	2.4
175.00360	1.7
175.03966	2.4
177.01927	8.6
177.05359	1.1
179.03564	5.2
189.01926	2.3
191.03517	7.6
193.01411	13.2
193.04990	1.7
203.03421	2.8
205.01340	4.5
205.05043	1.3
207.02992	3.4
217.01425	3.1
219.02968	2.7
221.04549	3.8
227.03569	2.6
229.04951	1.6
231.02853	1.1
233.04515	2.5
235.02374	4.3
243.02989	2.4
245.04387	1.7
255.02917	2.2
257.04483	2.2
265.03510	2.1
271.02478	20.1
272.02936	2.5
273.04080	1.5
289.03265	1.1
299.01959	35.6
299.05292	2.7
300.02625	6.8
301.03537	20.8
304.66806	1.1
305.98465	1.0
309.04019	1.6
311.05695	1.8
314.04358	2.9
317.07214	1.1
327.05197	2.1
328.05765	4.0
343.04575	6.7
344.04742	1.2
355.04538	6.1
357.05972	2.2
369.06265	1.5
373.05609	4.4
383.04034	1.4
385.05621	30.4
386.05960	1.7
397.05536	2.8
399.07141	1.5
415.06720	26.5
427.06604	4.5
445.07748	5.7
457.07721	1.9
462.08154	8.9
463.08865	15.2
469.07678	1.5
487.08710	3.2
505.09869	100.0
506.10361	7.8
517.10004	2.1
535.10962	29.7
536.10846	1.9
537.73633	1.3
547.11023	1.8
571.10120	1.6
589.11664	1.8
607.13110	3.5
625.14032	63.8
626.14471	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	623.1982
Annotation	Farrerol 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
50.22817	1.1
55.01873	1.5
57.03431	3.4
59.01382	41.7
61.98830	8.3
67.01878	1.8
68.99819	2.6
69.03432	1.6
71.01383	33.7
71.03383	1.1
72.99301	10.1
73.02931	5.7
75.00474	1.6
75.00874	24.1
81.03425	1.3
83.01374	3.5
85.02953	24.8
87.00874	9.9
88.98837	1.7
89.02463	7.5
93.03429	2.4
95.01365	5.7
96.95997	1.5
99.00877	17.8
99.04516	1.5
101.02429	5.7
101.62122	1.1
103.00369	1.8
108.02180	2.3
109.02938	2.9
111.00881	3.2
113.02454	23.9
115.00362	3.3
115.18874	1.1
117.01936	1.5
119.03542	1.6
119.04999	1.4
121.02940	6.6
123.04491	3.8
125.02483	3.4
129.01910	2.3
132.66165	1.2
133.02994	1.5
135.04529	4.9
137.02359	2.0
139.00314	1.6
143.03467	1.4
145.02975	2.6
147.04530	1.9
149.06006	1.6
151.07791	1.3
157.01376	3.1
159.04529	1.5
161.02429	1.8
161.04543	1.8
163.03972	2.8
165.04008	1.5
171.03168	1.6
175.02434	4.6
175.03912	2.7
175.16609	1.5
177.01891	2.6
177.05571	2.3
179.03406	1.4
223.05945	1.3
231.05080	2.3
237.07639	5.3
249.06160	25.1
253.04893	1.9
255.06671	3.4
265.08856	2.0
267.06943	12.1
268.07300	2.4
269.08212	16.1
270.08865	1.5
280.07355	3.6
281.04926	1.5
281.08115	5.5
283.09781	9.9
284.10547	4.1
289.06992	2.4
295.09753	4.9
296.10614	2.5
310.08438	1.4
311.09216	10.3
323.09146	3.2
325.10693	3.6
328.09534	2.3
329.10233	2.4
331.00931	1.4
340.09494	13.6
341.10202	5.7
343.11841	26.6
344.12128	2.0
355.11816	18.6
356.12677	2.1
403.13953	1.6
415.14087	1.8
417.15417	1.7
487.14929	2.0
491.28827	1.6
519.31702	14.3
531.18842	1.5
537.32666	2.4
573.16052	2.5
575.17889	2.8
579.33533	1.7
587.18225	1.6
593.18744	39.5
594.18744	3.3
605.18555	18.3
606.19324	1.8
623.19769	100.0
623.30829	5.6
624.20306	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	623.162
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
57.03437	1.4
58.41976	0.8
59.01385	9.9
61.98817	2.7
63.16531	0.6
63.67586	0.7
65.00306	1.1
71.01389	4.6
72.99293	1.6
73.02922	1.9
77.42194	0.7
78.95898	1.3
83.01374	1.2
85.02935	3.0
87.00869	2.1
88.98798	1.1
89.02446	1.7
93.03433	0.8
96.00927	1.2
96.96004	4.2
96.96966	2.6
98.95567	3.2
99.00881	1.7
101.02427	2.8
107.01369	1.1
109.02905	2.3
110.02489	0.9
113.02420	2.5
115.92054	1.2
116.92825	1.4
121.02940	1.2
123.04536	1.1
125.02435	1.8
135.04492	2.4
137.02475	0.9
146.08212	1.5
148.07272	0.9
151.00336	3.5
153.01855	1.0
159.04491	0.8
163.00363	0.9
163.03990	1.1
165.04102	1.1
173.04524	1.1
175.02420	1.2
183.04527	1.4
199.03926	2.9
203.07121	1.2
215.03647	1.7
227.03523	5.6
229.47878	0.9
242.02148	2.2
243.02991	21.0
244.03482	1.8
254.02188	1.2
255.02988	14.1
257.04495	2.5
270.01614	2.8
271.02466	47.3
272.03027	4.5
285.04065	3.8
286.04749	1.1
287.05362	1.9
289.07065	3.5
299.01959	42.4
300.02737	53.9
301.03052	2.3
309.08893	0.8
314.04288	24.5
315.05090	100.0
316.05438	4.1
389.16061	1.5
445.09341	1.0
519.31885	8.5
537.32587	1.5
606.21808	1.4
623.16071	72.5
624.16077	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	623.1406
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
57.03449	0.5
59.01373	4.2
61.98838	6.9
63.02411	1.3
65.00332	1.0
65.15736	0.5
71.01394	4.5
72.99292	0.9
73.02959	0.9
74.25985	0.5
75.00891	1.4
83.01395	1.3
85.02959	2.3
87.00893	1.3
88.98817	0.6
89.02440	1.5
96.96021	0.9
98.20770	1.1
99.00940	0.6
99.04568	0.5
101.02467	1.6
105.01936	0.8
105.03478	0.8
107.01402	2.2
109.02963	1.8
113.02466	2.0
116.92877	1.6
117.03531	0.6
119.05051	1.8
121.02999	0.9
125.02435	1.3
132.02165	3.1
133.02960	9.0
134.03775	2.9
135.04556	3.7
145.02901	0.6
147.04440	0.6
149.02452	2.3
149.06068	1.0
151.00388	5.0
151.04021	0.7
160.01668	11.2
161.02443	9.3
163.04073	0.9
171.04475	0.5
175.04007	8.5
177.01837	1.3
177.05571	0.6
179.03534	2.0
183.04550	0.6
185.06067	0.8
193.05016	1.1
195.10263	0.9
198.03191	0.7
199.03964	2.8
201.01895	0.7
205.05043	0.7
209.11829	1.2
211.03964	0.6
213.05269	0.6
217.05057	1.5
221.04616	0.9
227.03383	0.9
241.05049	1.7
243.02989	1.0
249.06116	0.8
255.02957	1.1
256.03793	2.3
257.04559	0.6
283.02527	1.1
284.03268	32.8
285.04059	100.0
286.04388	5.0
299.05603	13.3
300.06140	0.6
313.04315	0.5
323.07761	11.3
327.05008	0.9
373.25851	2.7
375.27426	0.7
378.75558	0.6
447.09497	1.1
494.02869	0.6
503.13251	1.8
519.31329	0.6
533.15063	0.6
579.33472	3.3
601.35791	0.7
623.14069	65.9
623.32556	10.9
624.14636	8.4
645.49109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88557	0.8
57.03446	3.5
58.00568	1.2
59.01381	29.4
61.98833	9.9
70.37750	1.1
70.38094	2.0
71.01392	14.2
72.99305	1.8
73.02959	4.8
78.95943	1.0
83.01389	2.2
85.02950	5.3
85.06583	3.2
87.00867	4.0
87.09861	0.7
88.98795	3.6
89.02448	4.7
93.03387	0.9
95.01398	1.1
96.96014	3.1
97.02945	1.3
99.00871	1.4
99.04521	3.0
101.02452	7.3
106.23053	0.8
113.02475	4.4
115.07665	2.8
119.04983	0.8
121.02936	0.9
125.02486	3.9
135.82822	1.1
143.03513	1.4
143.10846	0.8
163.06062	4.1
165.04103	0.9
175.03972	1.0
184.34628	0.9
191.05449	0.9
201.11320	1.2
203.34770	0.7
266.76910	0.8
273.58319	0.9
280.67377	0.8
343.24869	4.0
355.24811	3.0
373.25882	10.4
484.32147	0.8
489.26904	1.2
505.30057	4.6
517.30127	7.7
535.31201	22.6
536.31238	1.2
577.32294	100.0
578.32513	8.7
618.38483	0.8
620.75598	1.2
621.32800	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	621.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60587	1.1
55.01867	1.7
57.03440	1.9
58.13782	0.9
59.01384	27.2
60.42978	0.9
61.06318	0.9
61.98837	15.0
63.23277	1.1
70.64474	2.2
71.01385	14.0
72.99315	1.6
73.02946	4.3
75.00890	1.7
78.95920	1.4
83.01373	3.2
85.02972	5.8
87.00890	3.6
88.98836	1.5
89.02452	2.9
95.01402	1.3
96.96038	5.9
96.96973	2.6
97.02941	1.3
99.00912	1.7
101.02443	6.8
113.02451	4.4
116.05074	5.1
117.03465	1.2
119.05025	1.1
125.02460	2.8
134.70262	1.0
137.02478	1.3
143.10802	1.2
144.04550	2.6
148.30772	1.1
161.02432	1.1
163.06165	1.6
177.01945	1.8
178.02260	1.1
201.11249	1.1
295.06055	1.4
308.06454	1.4
323.05527	3.8
324.05884	3.3
343.24844	1.4
344.98270	1.0
354.07193	2.4
355.25092	1.8
366.07376	1.4
373.25986	10.4
384.07996	2.0
403.96152	1.2
414.09174	1.7
489.26733	1.6
501.14224	1.6
505.30038	5.4
517.30151	8.6
518.30658	1.3
535.23846	1.5
535.31311	20.1
558.22742	1.4
561.16089	1.4
577.32330	100.0
578.32751	8.6
621.18121	26.4
621.30841	6.4
622.18445	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	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
59.01381	24.9
61.98831	6.8
69.03436	0.9
71.00385	1.7
71.01383	9.2
72.99318	1.5
73.02940	3.5
83.01389	1.9
85.02956	4.5
85.06589	1.6
87.00881	2.3
88.98801	2.6
89.02457	1.6
95.01360	1.0
96.38316	0.7
96.96008	1.9
97.06609	0.8
99.00860	0.9
99.04500	1.8
101.02441	4.8
109.02965	0.8
111.00903	1.0
113.02459	3.1
115.07661	2.7
121.02908	1.0
125.02450	2.3
134.82768	0.7
135.04643	0.7
137.79593	1.1
143.10770	1.0
149.34822	0.9
161.04645	0.8
163.06099	1.9
173.04382	0.8
201.11337	0.9
277.83569	0.9
343.24890	4.2
355.24792	2.2
373.25900	9.3
427.83701	0.8
468.31100	0.9
487.28284	1.1
505.30432	3.7
517.30231	5.9
535.31201	17.9
536.31927	2.2
561.29340	1.2
577.32294	100.0
578.32617	8.7
621.31683	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.6
60.59724	3.1
68.80534	3.0
69.80688	11.2
72.99311	3.6
73.65498	2.8
75.12418	2.9
77.20345	2.9
87.00894	23.8
91.05536	61.1
103.00373	11.4
112.98802	20.3
119.05109	4.0
130.99846	7.3
135.04530	59.1
149.00912	100.0
173.04559	6.1
177.23120	3.6
267.05090	80.6
268.05295	4.6
438.13089	3.0
563.90869	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	621.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.4
57.78103	1.4
59.01381	39.2
61.98827	9.3
69.03455	5.5
69.21891	7.7
69.22316	5.5
71.01380	28.4
72.99296	4.6
73.02944	6.8
75.00850	1.3
81.03452	2.5
83.01376	3.4
85.02943	5.6
87.00899	6.7
89.02442	30.7
89.22195	1.3
95.01385	1.8
96.95992	1.7
97.02946	4.5
99.00888	3.4
99.04532	1.3
101.02450	22.2
106.41206	1.3
107.06391	1.2
109.02944	1.4
109.63776	1.3
113.02459	11.9
119.03517	9.1
119.05006	5.2
125.02478	9.2
133.05003	1.3
134.03844	1.5
143.03511	4.1
149.05888	1.3
150.03226	1.9
159.12685	1.4
161.04524	6.1
163.04010	4.8
163.54083	1.5
165.05569	2.3
167.10747	3.0
175.03995	1.5
179.05629	3.4
179.10782	3.0
179.14436	4.7
189.89502	1.5
195.06596	1.6
195.13951	11.7
201.11282	1.9
205.05070	1.7
205.12279	12.9
209.11803	2.1
221.06589	2.2
223.13388	100.0
224.13774	6.8
235.08182	6.1
253.09248	2.7
277.09424	1.5
287.07870	1.8
327.21909	1.6
337.45038	1.6
359.15036	1.7
360.24850	1.3
397.13492	58.9
398.13806	3.4
415.14594	28.0
416.14581	1.8
445.24442	3.8
457.13324	2.4
459.29813	1.8
482.71744	1.9
537.21326	2.8
577.32294	7.7
621.27594	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	620.292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65261	2.1
61.98829	100.0
71.01404	3.2
71.51534	3.8
77.46059	2.3
83.40128	2.1
101.02435	2.3
125.09677	2.6
135.04202	2.1
143.10779	5.4
171.10297	2.5
197.11848	8.5
209.11821	7.6
211.13269	2.5
215.12840	20.9
298.52979	2.2
403.24692	3.3
525.26923	22.6
557.29926	5.2
620.31531	7.2
621.32697	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	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08908	1.3
51.53002	1.1
57.03436	3.4
59.01381	32.3
61.98830	21.0
63.61426	1.1
70.81411	3.3
71.01385	15.5
72.99303	2.5
73.02948	4.0
75.00854	1.8
78.95902	2.8
82.84487	1.4
83.01368	3.7
85.02978	6.4
87.00859	3.9
88.98786	2.1
89.02433	4.7
95.01421	1.7
96.96014	12.0
96.96965	4.1
97.02951	1.4
97.06590	2.0
99.04538	1.3
101.02469	7.3
109.02929	2.3
113.02405	4.0
119.03469	1.5
121.02949	2.6
125.02435	2.3
125.09696	1.6
135.04494	1.5
161.02461	1.3
161.04578	1.7
163.03912	1.2
164.04834	1.7
190.02733	3.0
205.05046	1.9
206.05795	1.3
208.87738	1.3
209.11739	2.2
223.06073	3.1
261.64169	1.3
265.07111	3.2
289.07428	1.5
325.09219	1.8
341.23285	3.1
353.23206	1.3
371.24512	12.6
439.18866	2.1
443.22888	5.1
503.28793	5.1
515.28223	7.1
517.26709	1.7
533.29694	24.3
534.29974	1.8
575.30737	100.0
576.31238	10.7
619.21509	1.5
619.30792	1.7
632.02563	1.5
640.79016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03448	2.5
59.01382	4.1
61.98829	2.8
68.99833	0.5
69.03463	0.6
71.01380	4.9
71.05025	0.3
71.52968	0.3
72.99316	0.6
73.02945	0.8
73.81272	0.3
79.33536	0.3
83.01390	0.4
83.05041	0.5
85.02953	1.4
87.00868	0.9
89.02438	2.7
95.05005	0.9
96.96049	0.5
97.06586	6.1
99.00837	0.5
101.02457	3.1
107.15248	0.3
109.06533	0.3
111.00944	0.3
111.08208	0.3
113.02462	1.7
119.03481	0.8
123.08181	3.6
125.09723	49.4
126.10059	1.1
134.97702	0.2
141.12859	0.7
143.10789	0.7
145.05037	0.5
151.11302	1.6
151.12379	0.3
161.04524	0.8
167.10788	1.6
169.08736	1.5
171.10222	1.2
175.04057	0.4
183.13892	0.3
185.11821	29.4
186.12154	0.9
187.09747	31.0
188.10101	0.8
195.10251	16.0
196.10574	0.3
201.11316	0.4
205.05061	0.3
211.09749	0.4
213.11313	15.3
214.11670	0.5
235.08333	0.5
253.09293	2.1
261.13312	0.4
269.13824	0.5
273.10388	0.3
287.15009	0.8
405.17557	0.8
423.18594	4.6
431.19238	0.6
449.20267	7.2
450.20639	0.4
457.24371	0.8
524.59033	0.4
591.30157	2.8
601.28809	0.5
619.29669	100.0
620.30042	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	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58913	1.1
55.01864	1.4
56.12625	1.2
56.18960	1.3
57.03448	6.6
58.00603	1.3
59.01109	1.6
59.01381	23.7
61.98834	18.6
67.12450	1.2
67.12804	1.5
69.03453	2.3
70.64651	3.4
71.01381	22.3
72.99292	3.3
73.02945	8.2
78.15577	1.4
83.01402	3.3
83.05020	2.5
85.02942	7.0
87.00887	7.8
87.70920	1.2
89.02450	9.4
95.01386	1.9
96.96037	1.7
97.06575	4.2
99.00880	2.4
99.36293	1.5
101.02440	13.3
111.08163	2.6
113.02489	8.4
113.09734	2.1
119.03561	2.0
119.05012	4.3
121.02972	1.9
123.08143	5.7
125.02423	2.4
125.09727	15.7
127.11268	1.8
135.08136	1.8
137.09723	14.4
139.11298	22.3
145.05025	3.9
146.96222	1.3
148.88651	1.3
149.02428	7.9
151.11244	4.3
153.12830	3.0
159.10231	13.2
161.04520	3.1
164.04735	6.6
171.10284	6.6
175.00275	1.7
183.10304	10.5
185.11829	4.7
187.09808	6.3
190.02776	2.3
197.11842	9.2
199.09718	4.8
201.11311	12.2
205.05092	2.0
209.11891	1.3
213.11322	3.9
215.12930	1.4
223.06093	13.0
235.08293	6.3
249.22136	4.8
253.09305	4.1
262.61700	1.4
277.21738	14.4
285.18521	2.9
289.07260	2.1
293.21289	3.4
295.22751	3.4
303.19653	7.5
311.22491	7.5
321.20715	35.8
322.21082	2.2
339.21750	49.8
340.22061	3.1
357.22772	39.7
358.23291	2.3
397.64682	1.5
431.26413	1.3
436.48370	1.6
437.20197	1.7
483.13956	1.4
524.72375	1.6
575.30731	100.0
576.30847	9.7
619.29718	79.0
620.29913	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	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.00049	1.8
64.79636	2.0
71.52043	3.9
73.74199	2.0
94.89230	1.9
111.69663	2.1
117.31131	2.0
163.69463	2.1
185.16898	2.2
202.56831	2.2
264.76767	2.3
272.78772	2.5
377.84109	2.2
380.00909	2.4
416.16595	11.1
459.18219	100.0
460.18256	10.2
473.19775	13.1
474.20142	4.0
503.17346	3.1
518.19574	47.9
519.20270	4.7
532.20911	7.5
533.21887	84.3
534.22034	8.5
587.22949	5.2
619.25574	71.8
619.35907	4.0
620.25610	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	615.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.3
71.51595	1.4
71.98061	0.7
72.73064	0.9
75.00870	2.3
117.01972	1.5
159.20847	0.8
174.01695	100.0
175.02065	1.6
226.74718	0.8
235.30190	0.8
258.72864	0.8
312.35480	0.8
371.42828	0.9
416.76123	0.8
504.41208	1.0
555.37067	1.7
615.39008	17.3
616.38977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61817	1.1
57.03436	2.5
59.01376	5.0
61.98831	6.3
69.50121	6.3
71.01382	3.2
73.02964	1.5
81.03455	3.9
83.01389	3.7
85.02943	1.7
89.02440	2.5
93.03449	3.9
94.98060	1.2
95.01401	1.7
95.04984	1.1
96.95998	1.1
97.02957	3.4
99.04499	1.2
100.57699	1.1
101.02444	3.6
105.03477	1.7
107.05043	1.1
108.02144	1.1
109.02969	14.0
113.02437	1.5
117.03472	2.7
119.05028	3.1
121.02962	6.4
123.04533	14.5
125.02454	12.7
126.83952	1.1
133.02962	4.7
135.00879	1.5
135.04510	3.3
137.02463	16.9
139.03987	3.8
145.02986	5.4
149.02448	18.0
151.00391	2.1
151.04027	8.7
159.04501	1.9
161.02461	27.5
161.06068	3.5
162.03055	1.7
163.00386	14.7
163.04022	3.9
164.01100	3.9
165.01938	50.4
165.05583	2.3
167.03505	17.2
173.02396	1.0
175.03999	1.6
176.01152	9.7
177.01935	41.2
178.02405	1.2
179.03545	5.6
187.04016	2.9
188.04794	1.1
189.01889	2.8
190.02737	6.2
191.03497	1.6
191.05414	1.2
202.06302	1.1
202.99847	3.8
203.03282	1.2
203.07123	7.2
204.00610	2.7
205.01407	8.1
205.05022	3.6
207.06577	2.4
217.01277	1.1
218.02147	4.6
227.07097	1.4
231.02930	1.1
239.07251	1.3
245.08243	5.8
247.05939	1.3
253.05125	1.0
273.07690	16.7
281.04257	1.3
283.06036	3.8
289.07193	30.6
290.07425	2.2
309.04022	6.0
327.05090	100.0
328.05518	6.5
341.06604	3.0
465.08151	6.9
473.14978	1.9
492.28598	1.4
555.12787	1.1
581.18781	8.7
617.12604	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	615.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38005	1.2
59.01382	6.8
61.98833	7.1
69.59213	7.1
71.01380	5.1
89.02437	2.2
97.35010	1.4
98.20675	1.5
109.02970	1.4
113.02377	1.3
125.02466	2.1
133.02951	12.9
137.02495	2.7
145.08681	2.8
149.02437	2.8
161.02402	1.5
163.04025	1.7
165.01944	2.1
173.02513	2.3
175.00383	3.9
175.03992	1.7
177.01796	1.4
191.03470	2.0
193.01469	1.7
193.44844	1.4
201.02029	1.8
253.05032	2.1
267.03064	3.2
269.04453	1.5
284.03238	5.3
285.03882	7.0
289.07126	1.6
297.03998	17.4
298.04807	14.3
299.05600	10.5
307.13892	8.1
309.04037	84.0
310.04401	4.6
311.05707	3.3
327.05090	76.0
328.05441	3.3
339.05054	4.2
341.06772	1.6
357.06116	30.7
358.06552	2.6
369.05893	1.9
429.08270	21.7
430.72003	1.4
431.09659	1.6
433.92746	1.6
447.09036	1.6
449.10724	2.6
459.09283	15.2
579.13562	100.0
580.14209	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	615.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87210	4.9
57.03443	6.3
59.01370	7.0
66.74331	4.7
71.01373	9.8
71.52168	6.0
74.97263	4.6
85.02973	5.6
96.95979	13.1
109.02956	20.1
119.05038	35.0
123.04534	16.4
125.02457	20.0
137.02437	15.7
151.04021	14.0
163.04001	37.7
163.94832	5.1
173.04536	8.8
179.03481	11.9
197.33545	6.4
203.07138	11.0
205.05075	10.8
245.08180	18.7
289.07181	100.0
326.40875	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	615.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28148	3.2
59.01387	10.0
60.66426	3.3
61.98838	47.9
65.69897	4.3
69.52131	3.1
69.52459	24.2
71.01379	11.0
82.70928	3.2
85.02924	8.3
85.69996	3.4
89.02402	4.7
93.03516	4.2
96.96004	6.9
98.20715	7.3
109.02971	4.3
119.89428	3.6
121.02943	4.6
123.34498	4.1
133.03000	8.8
135.04596	4.7
137.02426	6.4
161.04593	3.9
163.00502	4.3
164.11208	3.3
165.01917	3.4
179.03510	4.5
284.03415	4.7
285.04059	7.0
289.07181	7.7
297.04062	14.8
298.04752	29.9
299.05655	9.8
300.20459	4.6
309.04004	36.6
326.63565	4.1
327.05096	55.4
357.06161	26.0
429.02933	4.0
429.08447	11.5
459.09277	16.5
579.13580	100.0
580.14166	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	613.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29123	1.3
50.29350	1.2
58.04512	1.1
59.01368	4.1
60.99308	16.4
61.98827	6.9
69.15450	1.9
69.15862	11.3
71.01370	2.2
72.26808	1.0
73.91867	1.2
85.02959	1.7
87.00873	2.3
88.00399	2.4
88.98809	100.0
89.02451	10.2
93.03473	1.5
96.96027	1.6
101.02432	1.3
109.02920	3.5
113.02431	1.6
119.05016	2.1
123.04470	2.2
125.02416	2.2
128.99858	1.2
129.14737	1.3
135.04532	3.0
137.02440	3.5
149.02408	1.8
151.03932	1.8
159.96571	1.2
161.05994	1.3
163.03993	1.6
165.01782	1.7
177.01933	2.5
179.03516	1.7
189.01949	4.6
217.01402	2.2
224.99197	1.2
259.06143	1.9
289.07251	1.8
294.31540	1.2
301.07147	1.5
341.06573	5.7
350.86713	1.3
451.09106	1.5
451.14020	4.9
503.10312	1.3
523.21588	1.5
613.19745	1.5
613.28058	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	614.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29939	0.2
59.01371	0.2
61.98832	100.0
69.45605	1.0
69.46010	0.3
89.02488	0.3
98.19912	0.3
104.91690	0.2
109.02943	0.4
143.59529	0.2
158.94218	0.2
165.01979	0.2
166.09601	0.2
183.13902	0.3
189.02026	0.3
208.05582	0.2
227.12904	1.0
341.06839	0.5
342.07062	0.2
365.36740	0.2
389.18286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39337	0.9
59.01386	4.1
59.48362	0.8
61.98834	9.1
63.99419	1.0
70.94141	1.9
71.01363	1.2
72.99332	1.0
85.02934	0.9
88.98813	1.9
89.62507	0.7
91.17317	0.9
93.03452	1.4
105.03450	0.9
106.36958	1.0
108.02180	1.7
109.02955	40.1
110.79341	0.8
111.00890	2.5
113.02421	0.9
119.05058	1.0
120.01259	0.9
121.03012	2.0
122.03711	2.2
123.04530	16.5
125.02470	1.5
133.03004	4.9
134.02727	1.4
134.03749	25.4
135.04561	1.8
137.02452	1.3
139.03975	1.1
145.02965	3.2
147.04544	2.4
149.02464	1.9
149.06085	12.0
150.03207	1.2
151.02878	1.2
151.04016	13.9
160.01651	1.0
161.02444	15.4
166.64372	0.8
168.04263	0.9
175.03970	2.4
177.01939	13.3
186.82095	0.8
187.04051	1.8
189.01935	40.0
190.02667	6.2
191.03496	12.2
199.03943	1.3
201.01906	1.9
203.03510	13.9
205.05045	1.6
208.03625	0.9
212.68259	0.8
215.03505	11.6
216.00629	2.7
216.04152	2.0
217.01405	28.6
218.01845	1.5
219.02986	5.1
223.06052	1.2
229.01559	5.0
230.02188	2.7
231.02963	14.7
234.01692	1.5
242.02261	1.5
243.02838	4.3
244.03783	1.0
245.04559	1.5
245.08257	1.1
257.04541	1.8
265.08627	1.0
289.07184	1.4
293.04578	1.0
309.07709	2.3
323.05652	1.6
335.05609	4.4
336.06305	1.0
339.08762	1.5
341.06656	52.5
342.07013	3.2
351.08627	4.0
353.06656	42.8
353.11203	1.4
354.07037	2.4
367.08044	4.3
379.08179	4.1
381.09778	1.6
393.09967	1.2
410.40784	1.0
451.09509	1.5
451.14917	1.5
461.12463	1.3
463.10263	6.6
482.83539	1.0
503.13519	100.0
504.13840	9.1
572.45135	0.9
613.17114	27.1
614.17566	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	613.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22382	0.6
51.17951	0.7
58.52184	0.6
59.01391	1.3
60.75941	0.6
61.98826	5.8
65.93473	0.6
71.01360	1.0
84.21145	0.7
93.03455	0.9
108.02182	2.8
109.02954	35.2
111.00871	1.3
113.02422	0.7
117.03481	1.1
121.02943	1.6
122.03740	1.9
123.04524	12.9
133.02957	5.9
134.03748	25.4
135.04546	3.0
137.02434	0.9
145.02943	1.8
147.04500	2.0
149.02431	1.6
149.06082	10.6
151.04010	20.5
159.04498	1.2
161.02444	17.4
163.03999	0.8
173.02510	0.7
175.03972	1.8
177.01917	11.8
185.02522	0.8
187.03984	1.8
189.01933	38.1
190.02654	7.0
191.03503	13.3
191.38626	0.6
192.03951	0.8
195.10213	0.7
197.11833	0.7
199.04024	1.2
201.01897	1.9
202.02710	1.1
203.03508	14.5
204.03998	0.9
205.04959	0.8
209.11839	1.1
215.03503	13.6
216.00645	3.6
216.04285	1.0
217.01414	33.0
217.04858	1.7
218.01889	2.0
219.02924	6.5
229.01440	4.3
229.05026	0.8
229.51175	0.7
230.02252	3.3
231.02992	12.3
234.01668	1.8
243.02899	4.2
244.03784	0.9
245.04465	1.6
257.04550	2.4
265.08667	0.9
291.06723	1.2
293.04678	1.8
294.05313	1.3
301.07257	1.1
307.06213	1.6
309.07715	2.5
316.14325	0.6
323.05615	0.9
335.05618	4.1
336.06158	1.7
337.07227	1.0
339.08676	1.9
341.06647	53.3
342.07004	2.4
351.08643	4.4
353.06641	45.8
354.07135	1.6
367.08334	5.0
379.08118	5.3
381.09958	1.7
393.09781	1.4
451.10141	2.7
451.14743	1.8
461.12692	2.3
463.10339	5.8
499.32181	0.7
503.13486	100.0
504.13831	8.8
569.68170	0.9
583.88269	0.7
590.15253	0.7
613.17194	22.2
614.17639	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	613.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98833	20.9
65.75429	2.5
74.00695	4.5
83.07859	2.1
98.19886	7.0
101.02410	2.5
108.02182	3.4
109.02949	38.1
122.03683	3.2
123.04539	16.1
128.65562	2.3
130.28860	2.5
133.02893	2.8
134.03741	27.2
135.04448	3.7
136.05328	3.3
137.02415	2.8
139.03967	2.3
145.02916	2.7
149.06091	14.1
151.03987	21.6
159.04524	2.5
161.02489	20.8
161.70853	2.2
167.71362	2.3
171.04520	2.5
171.10255	11.5
175.03903	3.4
177.01942	12.6
189.01930	40.6
190.02669	6.2
191.03551	14.4
197.11819	13.4
203.03442	16.3
204.03955	2.1
215.03464	10.7
217.01384	29.4
219.03018	3.8
223.13402	9.5
227.69212	2.2
229.01395	5.8
230.02159	4.1
231.03001	16.6
243.02847	4.9
289.07278	2.8
335.05551	4.4
341.06662	51.3
351.08530	3.2
353.06650	37.8
367.08337	5.1
379.08539	2.9
381.09576	2.4
381.57520	2.5
451.34305	3.8
463.10138	7.8
503.13483	100.0
504.13617	8.6
613.17145	53.8
613.39490	3.0
614.17163	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	613.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33686	0.6
51.84011	0.7
53.87420	0.7
56.21764	0.7
57.03438	1.1
59.01366	3.1
61.98827	7.4
63.61990	0.7
66.51212	0.7
71.01370	2.7
71.51918	1.3
72.99297	1.9
75.00858	1.5
83.01390	1.3
85.02927	1.4
88.98783	1.8
89.02401	1.8
93.03431	2.1
95.05033	1.7
96.96000	1.4
97.02960	1.8
101.02393	1.2
108.02173	1.5
109.02957	22.9
111.00829	0.8
113.02402	1.1
116.92856	1.1
117.03480	1.1
119.05000	1.5
121.02927	2.9
122.03726	2.2
123.04517	16.3
125.02410	2.9
133.02901	3.1
134.03700	1.5
135.04536	3.5
137.02466	4.4
139.04036	0.9
144.55907	0.7
145.02945	2.3
147.04510	4.4
149.02359	2.5
150.03198	1.5
151.02907	1.0
151.04015	12.7
159.04477	2.5
159.66707	0.6
161.02467	8.2
161.05974	1.6
162.03085	1.3
163.04083	3.5
163.07460	0.7
164.01141	0.8
165.01880	2.8
173.26175	0.7
175.03920	1.8
176.01114	1.6
177.01932	26.7
178.02368	0.8
187.03940	2.2
188.04660	1.2
189.01930	55.6
190.02698	12.8
191.03506	12.4
191.05280	0.9
192.03793	0.7
203.03528	7.9
203.07140	2.2
205.05032	3.8
213.05588	0.7
215.07115	1.2
216.00607	8.3
217.01422	45.0
218.01926	3.4
219.02991	16.5
227.06956	1.1
229.04988	1.1
231.00969	1.0
231.02966	13.2
233.04372	1.1
240.22298	0.8
245.08078	1.5
255.06563	1.0
269.04422	2.1
281.04269	0.9
289.07156	4.9
299.05396	1.1
323.05414	2.9
327.04852	1.4
341.06656	92.4
342.06857	4.4
358.88055	0.8
407.14886	2.2
414.89383	0.9
451.10110	100.0
452.10257	6.1
503.10208	1.7
551.21234	0.8
612.33032	1.5
613.15912	26.1
613.34705	2.5
614.18866	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	613.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98836	2.4
69.27338	5.0
88.98829	0.7
95.05057	0.9
105.03458	0.8
108.02147	0.9
109.02951	25.1
112.41917	0.6
121.02921	0.9
123.04527	12.0
133.02960	1.0
135.04524	1.8
137.02469	0.8
145.02951	1.1
147.04486	0.8
149.02452	0.6
151.04024	9.6
161.02431	3.2
163.04170	0.7
177.01927	6.5
189.01939	13.9
190.02773	3.1
191.03442	3.2
195.80328	0.6
197.02452	0.8
202.02794	1.7
203.03482	2.7
205.05171	0.8
213.05499	0.7
214.02728	1.5
215.03500	10.9
215.05463	1.0
216.00606	1.6
216.04187	0.9
217.01414	10.9
217.04935	1.3
218.02025	1.1
219.02946	4.2
227.03596	0.7
229.01424	3.0
231.02991	3.2
234.01720	2.1
237.05664	0.8
239.03375	1.2
242.02200	9.3
243.02913	6.4
244.03151	0.6
245.04524	0.7
255.03065	2.1
257.04437	0.9
269.00885	7.2
274.01227	5.8
275.01343	0.6
281.04630	0.7
284.03415	3.1
307.06143	1.4
309.04034	5.5
323.05603	4.7
324.06479	1.6
337.03448	1.1
339.05197	0.9
341.06644	29.0
342.07159	1.3
349.07132	1.6
351.05057	3.8
354.11713	0.7
367.08301	2.8
377.83020	0.6
379.04660	3.3
381.06158	0.8
389.23145	0.6
393.06161	27.8
394.06522	3.1
451.10349	1.9
452.11063	0.6
458.81250	0.6
461.08807	7.0
462.08847	0.8
503.09848	100.0
504.10223	9.2
613.13501	35.8
613.23566	1.1
614.14276	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	613.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18438	0.4
59.01403	1.7
61.98827	5.7
66.65683	0.5
71.01407	1.3
71.53091	0.6
72.99328	0.6
87.00935	0.6
88.98812	2.3
89.02499	0.7
91.01919	0.6
93.03485	1.0
93.32052	0.5
95.05058	1.5
99.00907	0.6
101.02496	0.6
108.02234	1.3
109.02950	31.5
110.03331	0.6
116.92903	0.6
119.05040	0.6
121.03007	1.4
123.04532	14.6
133.03000	1.8
135.04565	1.8
137.02490	0.4
145.03011	1.2
147.04573	0.7
149.02499	0.9
150.03282	1.2
151.04012	10.2
152.04372	0.6
159.04561	0.9
161.02428	4.4
163.04080	0.4
165.05531	0.5
167.03526	0.5
169.02986	0.9
173.02422	0.4
177.01913	8.1
177.03322	0.7
187.04037	1.5
189.01936	15.0
190.02667	3.0
191.03502	2.9
197.02431	0.9
198.03249	0.6
199.04074	0.5
201.01974	0.9
202.02702	1.6
203.03481	3.1
205.05096	0.5
213.01936	0.8
214.02753	1.4
215.03487	12.3
216.00690	1.5
217.01399	13.2
217.04881	0.7
218.02086	0.9
219.02998	4.3
226.48366	0.5
227.03467	0.6
229.01425	3.6
229.05087	1.2
231.02945	2.7
234.01685	2.2
239.03506	1.6
241.01469	0.8
242.02187	7.2
243.02942	7.0
245.04459	0.5
246.01753	1.3
255.02899	2.5
257.04672	1.6
265.04947	0.6
266.02130	0.6
269.00900	6.6
274.01205	7.7
281.04584	0.9
284.03323	2.6
285.03851	0.5
293.04712	0.7
297.04114	0.7
305.04770	0.5
307.06171	1.4
309.04031	6.1
310.04810	0.5
311.05551	0.5
323.05569	4.4
324.06421	1.1
337.03635	1.0
339.05145	1.7
341.06628	35.1
342.07040	1.9
349.07190	1.6
351.05038	3.2
352.05853	1.1
365.06766	0.7
367.08179	2.5
379.04590	3.9
384.05078	0.5
393.06149	32.3
394.06665	2.7
408.27499	0.5
451.10284	10.2
452.10538	0.6
461.08807	3.6
503.09842	100.0
504.10120	9.7
550.24097	0.5
613.13452	26.4
613.28143	1.0
614.14069	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	613.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61634	0.5
59.01371	0.6
61.98853	1.0
64.24564	0.4
69.92109	1.6
69.92483	0.9
88.03728	0.4
95.05033	1.4
97.84126	0.4
108.02229	1.4
109.02959	31.1
121.02978	0.6
122.03803	0.8
123.04527	13.9
123.05367	0.9
133.02977	1.4
135.04523	1.9
145.02962	0.8
147.04605	0.7
149.02472	0.8
150.03242	0.8
151.04008	9.0
159.04515	0.6
160.01683	0.6
161.02469	3.3
165.02069	0.5
169.02992	0.7
177.01930	7.1
177.25981	0.4
185.02417	0.5
187.04083	1.3
189.01927	12.7
190.02670	2.0
191.03502	2.9
197.02505	1.1
198.03304	0.6
201.01961	0.8
202.02757	1.8
203.03532	3.7
213.01959	0.8
214.02786	1.6
215.03516	12.3
216.00703	1.4
217.01416	12.2
217.04964	0.9
218.02100	0.9
219.03000	3.5
227.03630	0.6
229.01408	3.0
229.05046	1.0
231.02979	3.3
234.01762	1.7
239.03583	2.0
241.01511	1.1
242.02161	9.4
243.02951	6.5
244.03468	0.7
245.04581	0.5
246.01750	1.0
255.03009	1.4
257.04605	1.2
265.05054	0.9
269.00885	7.3
274.01178	6.8
279.06870	0.6
281.04626	0.8
284.03204	3.7
285.03870	0.6
292.04132	0.5
293.04694	0.5
295.05859	0.6
297.04337	0.9
297.07767	0.7
299.05548	0.7
307.06213	1.7
309.03979	5.6
310.04599	0.6
323.05551	4.6
324.06430	1.1
337.03546	0.8
338.04529	0.7
339.05310	1.4
341.06662	34.1
342.07025	1.8
349.07144	1.7
351.05008	2.8
352.05954	0.9
367.08139	2.0
375.04965	0.8
379.04675	4.1
393.06171	31.3
394.06628	3.1
451.10321	8.7
452.10944	1.1
461.08823	4.4
503.09857	100.0
504.10229	8.9
613.13507	26.9
613.23730	0.9
614.13879	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	612.3174
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
53.43213	0.5
61.98820	1.1
65.78768	0.5
121.02953	100.0
122.03319	1.8
123.34992	0.6
180.05786	1.7
181.06570	6.5
187.16396	0.6
225.05528	6.5
313.07169	18.1
314.07645	0.7
327.89993	0.6
357.06143	9.2
358.39944	0.6
380.62964	0.6
411.41440	0.5
612.31726	59.6
613.32050	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	613.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01330	0.7
61.98770	1.9
67.75689	0.3
70.49773	1.0
71.49775	0.3
81.03389	0.4
91.01813	0.4
93.03407	0.6
95.04942	1.0
101.11264	0.3
101.47173	0.3
105.03427	0.5
108.02148	1.6
109.02953	29.3
110.03226	0.5
117.03430	0.3
121.02866	1.1
122.03638	0.5
123.04529	15.3
124.04765	0.3
133.02960	1.8
134.03738	2.4
135.04520	2.0
136.35780	0.3
144.83853	0.3
145.02863	1.3
147.04405	0.9
149.02385	0.7
149.05984	1.0
150.03165	0.5
151.03999	11.5
152.04305	0.4
153.59180	0.3
159.04411	0.5
161.02440	4.3
162.02994	0.4
163.03986	0.4
169.02794	0.8
171.04353	0.6
173.05911	0.3
175.03932	0.4
177.01927	8.3
178.73682	0.3
178.89517	0.3
185.02411	0.6
187.03870	1.0
189.01932	16.9
190.02635	3.0
191.03510	3.0
197.02304	1.3
198.03165	0.7
199.03922	0.5
201.01860	0.8
202.02750	1.9
203.03514	4.3
204.03731	0.4
213.01958	0.6
213.05377	0.3
214.02748	1.5
215.01442	0.6
215.03491	12.2
216.00667	1.8
216.03938	1.0
217.01410	16.2
217.04842	1.3
218.01736	1.0
219.02998	4.2
225.01863	0.7
227.03358	0.5
229.01427	3.9
229.04884	1.1
230.02080	0.6
231.00951	0.4
231.02956	5.2
232.03453	0.4
234.01660	2.9
239.03444	1.9
239.06941	0.4
241.01225	0.6
241.04942	0.8
242.02214	9.2
243.00522	0.5
243.02972	8.3
244.03508	0.4
245.04399	0.8
246.01454	0.9
255.03000	2.3
257.04352	0.8
264.04068	0.5
265.04892	1.2
267.06485	0.4
269.00891	7.9
269.49927	0.3
271.02386	0.4
274.01199	7.4
277.04883	0.3
279.06473	0.7
281.04422	1.2
284.03287	4.0
284.42038	0.3
285.03604	0.5
293.04459	0.5
295.05930	0.4
297.03821	0.9
297.07135	0.5
299.05402	0.5
303.06070	0.5
305.04391	0.5
307.06091	1.6
309.00787	0.5
309.04056	5.7
309.07584	0.6
311.05429	0.6
323.05582	4.8
324.06143	1.1
333.03714	1.0
334.05197	0.4
335.05402	0.6
337.03488	1.5
339.04935	1.3
341.06650	39.5
342.07034	3.0
347.71408	0.3
349.07135	1.7
351.05118	2.7
352.05527	0.6
353.06699	4.4
354.06720	0.5
365.06427	0.9
367.08258	3.6
368.08304	0.4
375.04846	0.9
379.04453	3.6
379.08533	0.5
384.04645	0.6
393.06171	32.8
394.06610	3.6
427.72006	0.3
443.07565	0.4
451.10025	1.5
461.08698	4.1
462.08887	0.4
503.09689	100.0
504.10016	10.7
539.16901	0.4
613.13416	33.2
614.13715	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	611.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54121	37.7
51.68714	34.4
56.79205	40.5
56.88028	30.5
59.61971	32.4
60.57442	38.6
60.68859	40.8
65.45469	39.7
69.84389	91.5
69.84806	100.0
75.96493	35.0
100.75694	51.7
106.22621	36.6
120.25315	41.2
148.40038	33.4
224.20815	37.9
252.85088	40.7
260.60272	40.4
578.49945	43.1
606.37018	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	611.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31540	0.4
57.03452	1.4
57.09369	0.4
59.01379	6.4
60.99325	0.5
61.98833	3.8
65.00327	0.6
69.28067	3.8
71.01381	4.5
72.99326	1.0
73.02947	1.1
75.00891	1.1
77.99896	0.4
85.02966	2.0
85.33236	0.4
87.00900	1.1
88.98814	2.5
89.02445	2.2
91.01919	1.1
93.03481	1.3
95.01410	0.5
96.96060	0.4
97.02969	0.5
99.00935	0.6
101.02477	1.7
109.02979	0.7
113.02480	1.9
119.01381	4.3
119.03519	0.6
119.05062	0.6
121.02982	2.5
123.04523	0.9
125.02455	0.7
134.03775	0.8
135.04503	3.0
147.00874	4.3
147.04533	0.9
149.02441	12.1
150.03250	0.8
151.04005	1.5
152.01193	0.9
153.55499	0.5
161.02419	0.6
162.03232	1.1
163.04042	2.9
164.04793	12.1
165.01968	1.1
165.05278	0.6
169.04961	0.4
175.00366	22.6
176.00877	0.8
177.01910	1.1
177.05544	0.6
179.07108	2.0
189.01901	0.9
190.02716	60.1
191.03349	3.6
194.02254	0.6
203.07198	0.6
205.05049	52.0
206.05673	3.0
207.02942	1.0
208.03770	1.7
209.04506	1.8
221.08138	4.1
223.06108	17.5
224.06395	0.5
237.07652	1.0
249.06096	0.5
250.04855	0.9
251.05568	0.6
265.07187	10.1
266.07373	0.6
295.08170	1.7
311.07809	0.5
325.09393	2.4
361.25974	2.7
442.00046	0.4
459.07272	0.5
501.07947	1.7
502.08536	0.6
581.22565	0.5
596.24432	1.0
611.26794	100.0
612.27319	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	611.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43373	1.4
57.03449	1.6
59.01377	8.8
60.99307	15.0
61.98830	6.6
69.48856	7.7
71.01388	5.0
72.99325	2.3
73.02937	1.7
75.00887	2.1
83.01364	1.1
85.02948	2.7
85.03860	1.4
85.11751	1.1
87.00894	2.6
88.00404	4.1
88.98807	100.0
89.02453	19.6
97.28660	1.1
101.02470	2.2
103.73064	1.1
109.02969	9.8
109.76314	1.0
113.02452	2.3
117.03492	2.5
122.11072	1.3
123.04558	1.4
125.02440	4.5
135.04561	3.0
145.03006	1.3
149.02440	2.5
150.03227	2.2
161.02419	2.6
163.04025	1.5
165.05611	2.4
167.03525	1.7
189.05592	1.6
190.02707	4.7
205.05052	2.5
225.05463	1.3
267.34070	1.1
270.36768	1.1
281.35651	1.1
283.06073	3.6
285.03992	1.5
295.05960	1.6
297.04004	1.6
307.06265	1.2
309.07748	7.5
311.05649	4.8
327.05072	4.8
337.07156	29.4
338.07404	1.3
349.06870	1.5
357.06131	3.4
367.08337	4.2
431.10028	1.4
457.11493	21.7
458.11545	1.4
460.84976	1.3
491.09802	6.6
610.31561	3.5
611.14044	13.6
611.31598	6.1
612.14679	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	611.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03445	3.0
59.01369	0.8
67.68855	0.5
68.99816	0.6
69.03453	0.8
69.27692	5.4
70.29704	0.5
71.01382	0.9
71.05015	1.2
81.03453	17.5
83.01392	2.7
85.02944	0.8
89.22251	0.6
93.03440	0.9
95.01370	1.0
95.05019	7.2
97.02957	4.3
99.04514	12.7
109.03019	0.6
109.19038	0.5
111.04530	1.6
113.02447	0.8
117.03477	2.3
123.04533	7.2
124.01719	0.6
125.02446	34.1
135.04498	0.9
137.02437	5.4
139.04007	4.0
149.02371	0.8
151.04001	1.0
167.03490	100.0
168.03839	2.4
179.03439	2.6
197.04533	23.3
209.04527	2.4
251.05869	0.6
269.06607	2.0
287.07681	10.7
329.06509	0.7
481.94797	0.7
491.11923	23.7
492.12219	1.8
521.12939	6.8
522.12903	0.7
593.14789	0.8
611.15839	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	611.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
59.01369	3.8
60.65859	1.1
65.24365	1.0
68.99842	1.1
69.03465	1.7
70.12899	0.9
71.01385	3.1
71.05022	1.1
73.02932	2.3
81.03450	15.2
83.01381	13.7
85.02927	2.3
89.02472	1.1
93.03461	2.9
95.01372	3.5
95.05042	5.9
97.02943	8.2
99.00912	1.0
99.04511	7.2
101.02474	1.4
107.05029	2.7
109.02954	4.3
111.04524	5.2
113.02457	2.6
117.03438	3.4
121.02967	5.2
121.06553	1.1
123.04515	30.1
125.02444	36.7
125.06080	1.7
135.04524	4.8
137.02451	11.6
137.06114	3.1
137.13747	1.2
138.03239	1.3
139.04008	4.1
145.66695	1.0
147.04512	4.1
149.02423	2.8
151.04004	5.5
153.05588	2.2
155.03487	1.6
163.04004	2.2
163.06148	1.5
165.01932	2.0
165.05563	4.0
167.03490	49.1
177.01868	1.5
177.05569	2.1
179.03484	12.2
181.05037	2.4
189.05545	1.6
191.03513	2.7
193.05150	1.7
197.04558	14.6
205.05164	1.4
209.04544	100.0
210.04872	4.0
221.04622	5.9
233.04492	1.7
239.05600	79.7
240.05952	2.7
251.05624	5.0
269.06671	30.4
277.03506	2.0
281.06604	3.9
299.07767	1.6
307.04584	1.5
311.07858	8.1
323.07690	1.6
329.08908	15.7
341.08749	4.2
359.09796	5.0
371.07669	40.3
372.08023	2.9
383.07620	2.0
401.08777	25.6
402.09186	1.6
413.08813	1.4
431.09702	6.9
449.13104	7.9
473.10724	4.6
491.11838	18.5
492.12384	1.5
503.11746	2.2
521.12915	3.2
551.26605	2.0
593.14795	1.6
611.15833	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	611.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.4
60.99289	0.9
61.98832	7.3
64.67232	0.8
67.01892	1.8
68.51781	0.7
70.65003	2.2
71.01371	3.6
72.99306	2.0
74.31101	0.8
75.00869	0.9
81.03426	0.9
83.01366	1.2
85.02957	2.0
87.00864	1.3
88.98798	4.8
89.02455	1.4
91.01862	1.2
93.03445	3.3
95.01373	1.1
101.02434	2.6
103.05527	1.9
107.01386	1.6
108.02177	1.4
109.02946	35.9
110.03202	1.1
110.33160	0.9
113.02432	1.7
117.03473	13.8
119.05025	1.3
121.02946	1.6
123.04532	1.3
125.02443	3.0
131.04994	2.3
133.02913	2.1
135.04509	10.0
137.02396	0.9
147.04475	2.4
149.02400	2.4
151.00362	3.2
151.03918	1.0
159.04517	1.1
161.02440	5.2
161.06039	1.6
163.03969	2.1
164.04791	0.9
167.03488	1.0
169.12270	1.3
173.02441	0.7
173.06042	0.9
174.03105	1.0
175.03983	5.9
179.03461	0.8
179.07265	0.8
185.02391	0.9
187.02298	0.8
187.04001	2.5
189.02032	1.3
189.05527	3.9
190.02699	6.1
191.03433	1.9
201.02089	0.9
205.05000	6.4
217.05031	3.1
219.02960	1.1
223.06041	2.0
225.05585	0.9
239.03439	1.0
241.05099	1.2
281.04474	1.5
282.05219	1.2
283.06152	8.7
287.05634	1.2
293.04550	1.9
293.08109	1.7
294.05353	1.2
295.06049	3.8
297.03925	0.9
307.06067	4.8
308.06860	1.5
309.07666	35.2
310.08118	2.3
311.05609	13.6
319.06097	2.4
321.07645	2.8
323.05316	1.0
325.07330	1.1
337.07156	100.0
338.07504	6.6
341.06644	1.3
349.07288	4.0
353.06479	1.0
358.87158	0.8
361.25891	1.3
363.05051	1.0
367.08252	10.8
379.08066	1.1
431.09677	2.8
449.08847	1.3
457.11389	80.5
458.11719	7.0
491.09778	19.8
492.10336	1.8
501.10239	2.2
521.11035	0.9
611.14014	46.9
611.26379	10.4
612.14520	4.6
612.25275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01368	2.5
60.99331	0.9
64.40823	0.8
64.42775	1.0
69.63965	4.9
71.01376	3.1
73.02972	0.9
75.00922	1.0
85.02930	1.0
88.98809	3.0
89.02422	2.9
93.03450	1.8
97.56778	1.1
98.19946	1.6
101.02466	1.0
103.05521	2.1
108.02197	1.0
109.02945	13.7
112.33420	0.9
113.02466	0.9
117.03458	14.2
119.05042	2.0
125.02497	1.2
135.04539	5.5
143.05049	1.4
147.04471	2.2
151.00362	2.5
159.04500	1.6
159.72789	1.1
161.02411	2.4
161.06020	1.5
163.03993	1.1
173.06023	1.5
175.04050	2.3
177.01971	2.1
187.03935	2.5
189.01837	1.2
189.05513	4.2
191.03500	2.3
201.05548	1.2
211.50455	0.8
215.03276	1.1
217.04976	1.3
219.02986	2.2
256.25214	0.9
262.70932	0.9
263.07132	1.4
265.08572	1.4
266.58325	0.8
267.06799	0.9
269.04816	1.5
279.06519	1.5
280.07550	1.2
283.06146	3.0
285.03931	0.9
287.05441	2.3
293.04578	2.5
294.05246	1.1
295.06058	8.8
305.08243	1.3
307.06055	15.8
308.06805	4.6
309.07681	35.6
310.08014	1.9
311.05527	7.6
319.06131	2.8
321.07623	5.7
327.05069	1.6
335.05591	1.6
337.07175	100.0
338.07401	4.8
340.05933	2.6
341.06577	2.1
349.07129	8.9
367.08215	44.6
368.08466	2.1
379.08038	2.3
431.09784	6.8
432.09952	1.1
437.00305	1.0
439.10159	3.1
447.09659	2.1
457.11392	94.7
458.11688	7.0
491.10162	6.0
501.10349	7.5
611.14056	43.2
611.24683	2.8
612.14288	3.7
614.45612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.4
60.99289	0.9
61.98832	7.3
64.67232	0.8
67.01892	1.8
68.51781	0.7
70.65003	2.2
71.01371	3.6
72.99306	2.0
74.31101	0.8
75.00869	0.9
81.03426	0.9
83.01366	1.2
85.02957	2.0
87.00864	1.3
88.98798	4.8
89.02455	1.4
91.01862	1.2
93.03445	3.3
95.01373	1.1
101.02434	2.6
103.05527	1.9
107.01386	1.6
108.02177	1.4
109.02946	35.9
110.03202	1.1
110.33160	0.9
113.02432	1.7
117.03473	13.8
119.05025	1.3
121.02946	1.6
123.04532	1.3
125.02443	3.0
131.04994	2.3
133.02913	2.1
135.04509	10.0
137.02396	0.9
147.04475	2.4
149.02400	2.4
151.00362	3.2
151.03918	1.0
159.04517	1.1
161.02440	5.2
161.06039	1.6
163.03969	2.1
164.04791	0.9
167.03488	1.0
169.12270	1.3
173.02441	0.7
173.06042	0.9
174.03105	1.0
175.03983	5.9
179.03461	0.8
179.07265	0.8
185.02391	0.9
187.02298	0.8
187.04001	2.5
189.02032	1.3
189.05527	3.9
190.02699	6.1
191.03433	1.9
201.02089	0.9
205.05000	6.4
217.05031	3.1
219.02960	1.1
223.06041	2.0
225.05585	0.9
239.03439	1.0
241.05099	1.2
281.04474	1.5
282.05219	1.2
283.06152	8.7
287.05634	1.2
293.04550	1.9
293.08109	1.7
294.05353	1.2
295.06049	3.8
297.03925	0.9
307.06067	4.8
308.06860	1.5
309.07666	35.2
310.08118	2.3
311.05609	13.6
319.06097	2.4
321.07645	2.8
323.05316	1.0
325.07330	1.1
337.07156	100.0
338.07504	6.6
341.06644	1.3
349.07288	4.0
353.06479	1.0
358.87158	0.8
361.25891	1.3
363.05051	1.0
367.08252	10.8
379.08066	1.1
431.09677	2.8
449.08847	1.3
457.11389	80.5
458.11719	7.0
491.09778	19.8
492.10336	1.8
501.10239	2.2
521.11035	0.9
611.14014	46.9
611.26379	10.4
612.14520	4.6
612.25275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.8
61.98812	2.0
69.39880	5.7
71.01369	2.4
72.99315	0.9
73.02935	0.9
74.66988	0.7
75.00881	1.1
81.63643	0.7
83.75394	0.7
85.02958	1.1
88.98778	1.2
89.02454	1.1
91.01899	0.8
93.03474	1.3
95.40720	0.6
98.20670	1.5
101.02434	0.7
103.05535	2.7
108.02157	1.1
109.02953	12.6
117.03474	14.3
119.05020	0.9
123.04493	1.7
125.02444	1.0
131.04982	1.0
135.04514	5.1
143.04976	0.7
145.06653	0.8
147.04506	1.7
149.02281	0.8
152.74271	0.8
159.04535	1.8
161.02403	2.2
161.04509	0.7
161.06007	1.5
163.04065	1.1
173.04526	0.7
173.06058	1.2
174.03221	0.7
175.03993	1.9
177.01958	1.5
185.02400	0.9
187.03972	2.4
189.01924	2.0
189.05591	4.2
191.03493	2.7
191.05531	1.0
201.01932	1.7
203.03351	0.8
217.05054	1.3
219.02969	2.9
237.05531	0.7
247.06192	0.7
253.04832	0.8
263.07111	1.3
267.07141	0.7
269.04724	0.9
279.06555	1.2
280.07285	1.3
283.06152	3.5
293.04535	2.6
293.07794	0.7
294.05109	1.8
295.06097	10.2
307.02808	1.5
307.06100	16.7
308.06787	5.0
309.07690	36.3
310.08075	1.7
311.05707	7.9
319.06073	2.3
321.07639	5.2
329.10034	1.3
334.04593	1.0
335.05316	1.0
337.07172	100.0
338.07422	4.7
340.05762	3.2
341.06458	2.2
344.12732	1.1
346.98419	0.7
349.07220	9.6
350.07458	1.0
351.08899	1.0
351.31274	0.7
353.06531	0.8
359.15048	3.4
367.08221	42.9
368.08478	2.0
371.14862	3.0
379.08246	3.5
409.09161	1.0
431.09729	7.0
439.10281	2.9
447.10495	1.2
457.11380	95.6
457.79663	0.8
458.11612	5.6
491.09869	6.4
501.10336	8.9
593.13239	0.9
611.14087	35.0
611.23804	1.7
612.14587	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	611.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59027	17.0
61.98819	27.0
66.53944	16.7
67.15991	16.6
69.32539	50.8
69.32955	100.0
78.95894	30.7
86.99844	18.5
90.99048	25.3
92.72134	15.7
96.95988	52.8
96.96933	25.8
161.95494	19.1
282.98032	21.7
429.34509	22.6
441.19766	20.9
513.88562	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	609.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
57.03445	10.4
59.01384	100.0
61.98836	29.9
69.03514	3.6
69.36379	7.9
69.36800	18.2
71.01387	46.4
72.99314	4.8
73.02953	11.9
74.02454	3.4
75.00858	5.3
83.01392	4.9
85.02950	27.4
87.00912	11.7
89.02453	25.2
93.03477	12.2
95.01400	4.4
97.02978	6.8
98.20586	7.3
99.00875	8.7
101.02471	23.5
109.02959	9.6
112.98827	3.5
113.02467	24.2
117.03489	11.7
119.03532	6.9
121.02963	6.4
123.04525	3.1
125.02462	9.0
133.02969	6.1
137.02475	3.2
143.03510	4.8
145.03023	6.8
149.02489	20.5
161.02475	6.5
161.04524	5.8
163.00423	5.3
163.04025	7.7
164.04826	17.1
165.09282	7.0
175.00395	21.4
175.04050	3.7
177.01964	18.6
183.13803	7.2
189.02026	7.4
190.02730	51.6
191.03351	7.1
201.01912	5.0
203.07143	4.6
205.05081	36.5
206.05746	11.0
211.13391	98.4
217.01445	3.5
221.08174	13.7
223.06120	36.9
231.02979	4.6
235.08284	9.9
237.07684	4.5
241.05029	3.0
243.02913	7.7
243.15988	9.9
245.04341	3.2
250.04715	4.8
255.03143	6.9
265.04745	5.0
265.07211	52.3
271.02472	13.3
283.06155	4.3
285.03998	9.7
293.04568	3.5
295.08670	16.3
297.04071	28.1
300.02716	19.8
301.03485	9.8
307.06155	8.5
311.05624	7.7
321.04266	3.7
322.83066	3.3
323.05420	9.6
325.09369	23.4
327.05167	13.2
334.04959	3.5
335.05640	8.4
339.04965	5.1
349.11987	15.9
357.06149	5.2
359.24350	12.3
361.25766	4.4
361.29657	13.4
363.05093	8.6
365.06567	3.8
387.08624	5.1
393.06216	6.3
395.07773	16.9
397.13464	46.7
398.13855	4.6
399.07587	3.7
401.10257	6.7
415.08401	13.6
415.14557	19.4
425.08728	14.0
429.09937	22.2
435.75903	3.5
447.09433	4.9
457.09238	12.7
463.08899	6.4
487.10538	4.1
489.12082	31.6
490.12424	4.7
499.12714	4.5
505.33862	65.4
506.34390	5.1
515.12024	7.4
519.12921	14.0
523.34753	24.2
528.41895	3.3
565.36292	8.6
577.13568	7.2
591.15472	4.3
591.23981	3.5
609.16217	87.3
609.24908	9.9
609.32709	35.5
610.15924	12.6
635.10742	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	609.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23799	0.7
57.03439	3.0
59.01377	20.6
61.98824	5.0
68.99833	0.8
69.03471	1.3
71.01382	14.6
72.99010	0.7
72.99313	7.2
73.02959	1.9
73.73129	0.7
75.00874	10.0
81.03436	1.3
83.01379	2.0
85.02946	12.6
85.06545	0.9
87.00878	7.3
88.84747	0.7
88.98784	3.7
89.02451	4.3
93.03454	1.0
95.01382	3.8
95.28332	0.8
97.06577	0.8
99.00884	6.9
101.02438	3.4
103.00348	1.3
105.01944	5.4
109.02934	1.9
113.02446	15.4
117.01884	1.1
119.03480	0.8
121.02992	1.0
123.04480	0.9
125.02414	1.2
129.01944	1.2
133.02960	1.6
135.04578	1.7
143.03503	1.0
151.00298	1.8
161.02502	0.9
165.05449	0.9
171.10278	2.0
173.04552	2.0
175.02452	1.3
177.01970	1.9
179.03496	0.9
183.13876	1.4
190.02599	0.9
195.47453	0.7
205.05008	1.2
211.13359	1.7
227.12714	1.2
229.14415	5.2
243.03065	1.3
249.06055	6.3
255.03021	2.0
271.02515	2.6
283.06219	1.9
285.04074	1.1
298.04669	0.8
299.05487	1.1
300.02713	3.6
301.03607	1.6
301.07111	2.9
311.02518	0.8
311.22198	0.9
313.07248	0.8
327.05087	2.2
329.23337	4.9
339.05341	1.2
341.23203	1.7
357.06274	1.0
357.22745	0.9
359.24374	35.3
360.24783	1.3
363.05054	0.9
369.05994	2.2
397.13400	1.1
399.07153	1.6
429.07996	0.9
447.09354	1.5
483.09860	1.6
489.09818	2.0
505.34024	5.7
519.11664	1.0
523.34924	3.1
549.29053	3.0
591.30176	1.1
606.69775	0.9
609.14624	10.0
609.31287	100.0
610.16467	1.3
610.31665	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.4
59.19069	1.0
70.42874	1.0
70.81702	2.3
71.01360	2.8
75.22619	0.8
78.80666	0.9
81.90138	1.0
85.02948	1.3
85.85356	0.9
87.00929	0.9
89.02414	1.7
101.02435	2.6
109.02946	1.6
113.02441	1.9
121.02971	1.3
125.02480	1.6
133.02928	11.3
134.03690	1.1
135.04477	1.2
161.02400	1.3
163.00388	1.9
163.03989	1.1
165.01926	1.1
173.02469	1.0
175.00333	3.2
175.03973	2.7
191.05516	2.3
225.05565	1.1
237.05473	1.1
240.04315	1.2
241.05109	2.1
253.05019	1.8
270.05170	1.4
282.05408	1.6
284.03183	4.7
285.04074	9.9
297.04050	19.2
298.04797	71.0
299.05469	11.5
309.04034	33.6
310.04538	1.3
311.05600	4.3
323.05481	1.2
325.03531	3.4
326.04214	1.9
327.05045	32.1
328.05310	1.6
330.03741	5.3
338.04269	3.4
339.05057	11.2
340.51508	1.1
341.06567	3.4
351.05048	3.7
353.02927	1.7
357.06183	11.6
358.06473	1.6
369.06186	5.8
381.06137	2.0
399.07181	1.9
411.07028	1.9
429.08224	29.6
430.08450	1.6
447.09161	4.0
447.40100	1.1
455.88049	0.9
489.10373	30.2
490.10889	2.7
519.11523	2.8
587.76672	0.9
591.13739	2.4
609.14575	100.0
610.14801	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22184	0.4
50.31815	0.3
52.63441	0.3
54.33423	0.3
55.90495	0.4
56.21856	0.3
59.01353	0.3
63.02395	0.7
63.25275	0.4
65.00317	1.7
69.81981	0.7
69.82371	0.8
71.01405	0.3
83.01396	0.9
84.51443	0.3
91.01881	0.4
92.57654	0.3
107.01382	3.1
108.02189	1.1
109.02953	2.1
119.01375	0.5
119.54137	0.4
121.02920	1.8
125.02480	0.5
135.00868	1.0
148.01683	1.5
151.00366	12.1
159.04585	0.5
163.00351	2.9
164.01163	0.7
169.01503	0.4
175.03882	0.4
178.98288	0.4
178.99854	6.4
183.04492	0.8
187.04013	0.7
191.03395	0.4
192.00632	0.6
199.03973	0.9
201.05617	0.5
203.03560	0.4
211.03937	1.0
215.03462	0.8
216.04256	0.6
226.02670	1.2
227.03476	3.5
229.05031	0.7
239.03401	0.4
241.48088	0.4
243.02963	12.6
244.03549	0.8
245.04506	1.6
254.02312	2.1
255.02974	26.1
256.03433	1.5
271.02463	60.1
272.02936	4.3
273.03995	1.0
276.25024	0.4
283.02509	1.2
299.02014	1.2
300.02734	91.2
301.03464	39.9
302.03860	1.5
343.04605	1.2
609.14587	100.0
610.14960	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.9
65.00317	0.6
71.01377	1.0
83.01396	0.5
89.02450	0.9
89.39459	0.5
101.02477	0.7
107.01382	1.3
108.02187	1.6
113.02427	0.9
119.03522	0.7
121.02929	0.6
133.02950	1.0
135.00826	0.6
148.01653	2.0
151.00352	3.6
163.00392	0.7
164.01186	0.6
165.01941	0.9
175.03999	0.7
178.99876	2.8
187.03917	0.4
195.19745	0.5
199.04015	1.2
204.15068	0.4
211.03963	1.0
216.04156	0.5
226.02655	1.7
227.03543	2.3
230.17772	0.6
234.34111	0.5
243.02975	10.2
244.03625	0.9
254.02199	2.0
255.02977	25.4
256.03351	1.2
261.67468	0.5
271.02463	56.5
272.02911	3.7
284.03262	4.2
285.04013	13.5
298.04846	0.7
299.02063	2.1
300.02734	100.0
301.03284	8.8
327.05106	1.4
369.06363	0.5
429.08328	0.8
447.09308	11.2
448.09540	0.6
489.10068	1.1
503.48709	0.5
549.25665	1.6
609.14551	65.5
610.14777	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24487	0.7
61.86976	0.7
68.55871	0.6
74.44559	0.8
76.13553	0.7
97.76180	0.7
109.02950	2.9
133.02966	14.1
133.06569	0.9
134.03757	1.2
135.04510	2.0
149.02463	1.0
151.04010	1.4
161.02394	1.1
163.04019	1.3
165.01956	1.0
168.73924	0.7
173.02184	0.8
175.03983	2.9
177.01936	2.7
177.05527	1.8
180.46092	0.8
189.01982	0.9
189.05634	0.9
191.03491	2.0
201.01915	1.0
203.03470	2.1
205.01419	1.8
215.03281	0.8
217.05045	0.9
221.04546	0.9
225.05467	1.2
233.04497	1.3
235.02664	0.9
239.07208	1.1
241.05101	1.2
245.04520	1.3
267.06561	1.7
269.04510	0.9
277.85031	0.7
281.04123	0.8
283.06155	1.2
284.03592	0.8
285.04376	0.8
297.03986	3.9
298.04810	12.5
299.05487	4.9
309.04163	1.4
310.04715	1.7
311.05569	8.6
312.06360	11.1
313.03815	1.3
313.07117	10.6
323.05557	2.7
325.07196	2.1
327.05112	6.8
328.05353	1.2
339.05078	17.0
340.05307	1.4
341.06671	8.7
344.05313	1.6
351.05240	1.7
353.06662	4.2
357.06134	2.8
366.03531	0.8
367.04446	1.6
369.06128	53.5
370.06680	3.5
371.07593	0.8
381.06131	6.3
383.07516	1.1
399.07175	34.6
400.07513	1.6
411.07144	4.7
413.08691	1.4
429.08328	8.1
441.08368	2.8
459.09525	1.1
471.09473	2.7
481.01126	0.7
489.10385	38.1
490.10861	3.1
501.10315	1.1
519.11462	13.0
520.12000	1.1
540.97620	0.8
591.13306	2.0
609.14594	100.0
610.15002	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
61.51233	0.6
64.39994	0.6
64.43681	0.6
68.66688	0.7
69.40087	5.5
78.59339	0.6
79.87009	0.6
95.01315	0.7
101.02430	1.3
103.38493	0.7
104.85800	0.8
109.02940	1.8
110.80461	0.8
121.02927	1.5
125.02449	1.3
133.02946	13.2
134.03717	1.3
135.00905	0.9
135.04495	3.2
137.02443	0.8
149.02429	1.7
161.02382	1.1
163.00327	1.5
163.03931	1.7
165.01894	2.5
175.00514	0.6
175.03986	3.2
177.01949	2.0
178.99837	2.4
191.03548	1.6
191.05656	1.1
193.01294	1.1
199.04033	1.9
201.01932	1.6
203.03535	1.2
217.04980	1.2
225.05524	1.2
227.03691	0.9
229.05113	1.1
241.05017	1.1
253.04930	1.2
284.03247	3.9
285.04047	8.6
297.04007	12.8
297.07159	1.2
298.04807	20.1
299.05597	22.8
300.05789	1.1
309.04044	4.0
311.01923	3.6
311.05606	4.1
312.06332	2.3
313.03580	26.7
313.07141	2.3
314.03848	1.1
325.03488	1.8
325.07056	0.9
326.04095	0.9
327.05081	84.7
328.05453	4.5
330.03699	1.5
339.05090	8.5
341.06479	1.3
357.06155	23.6
358.06540	1.0
369.06146	10.6
370.06238	1.0
371.07562	1.0
381.06131	1.3
399.07178	5.9
411.07251	1.3
429.08270	3.0
447.09305	43.4
448.09805	2.5
489.10358	11.5
519.11139	2.6
549.26019	1.0
605.30157	0.8
609.14581	100.0
610.14807	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	608.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.76778	1.4
69.77190	0.9
72.09594	0.4
83.06707	0.4
100.65582	0.3
102.22832	0.4
102.72503	0.3
118.40232	0.4
181.33261	0.4
203.48242	0.4
259.85172	0.5
270.70963	0.4
290.13986	0.4
291.67603	0.4
344.03745	0.4
495.70465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18639	0.4
61.98832	100.0
62.63882	0.5
86.85934	0.5
90.29519	0.5
105.33504	0.5
167.62036	0.5
229.52138	0.5
236.02362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
70.63448	1.2
71.01379	0.7
79.01883	0.5
80.03538	0.4
83.01408	0.4
85.02936	0.7
87.00874	0.7
96.96011	2.0
107.01354	0.5
109.02961	3.4
113.02467	0.5
125.02477	0.6
131.05031	0.5
133.02950	12.6
133.06697	0.4
134.03725	0.8
135.04530	1.7
137.02380	0.7
147.04488	0.7
149.02425	1.3
151.04010	1.4
161.02466	1.1
161.06047	0.6
162.03197	0.6
163.03963	1.6
165.01932	0.7
174.03180	0.6
175.04027	3.1
177.01930	2.8
177.05534	1.5
179.03468	1.6
187.03865	0.8
189.01965	1.2
189.05569	0.8
190.02690	0.5
191.03473	1.1
199.04068	0.5
201.01982	1.2
203.03464	1.8
205.01309	1.3
205.05013	1.0
207.03065	0.7
211.04024	0.6
213.05501	0.9
215.03528	0.9
217.05016	1.2
225.05557	1.2
227.03442	1.0
229.05078	0.6
233.04553	1.8
235.02347	0.6
239.07191	1.2
241.05075	1.1
245.04469	0.9
253.05190	0.7
254.05846	1.1
255.02951	0.9
255.06439	0.6
257.04575	0.5
265.05167	0.6
267.07062	4.0
268.03680	0.5
269.04510	1.0
270.05356	0.5
279.06870	0.5
281.04459	0.8
283.06143	2.4
284.06714	0.5
285.04047	1.0
295.06104	1.1
297.04092	4.2
298.04810	10.7
299.05585	3.5
309.04065	1.3
310.04886	1.1
311.05569	8.3
312.06354	10.7
313.07132	12.0
314.07419	0.8
322.04593	0.7
323.05591	2.6
324.06125	0.5
325.06940	2.1
327.05084	7.6
339.05075	16.3
340.05438	1.5
341.06628	7.7
344.05392	1.3
351.05066	1.3
353.06662	3.5
355.08362	0.5
357.06055	2.3
367.04321	1.3
369.06128	52.6
370.06421	2.9
371.07675	1.1
381.06171	7.1
382.06400	0.5
383.07712	1.3
395.07553	0.7
399.07196	37.7
400.07553	2.0
411.07236	5.5
413.08783	1.4
423.07230	0.7
429.08182	7.3
429.66147	0.5
430.08600	0.7
435.07086	0.8
441.08157	2.1
453.08191	1.0
459.09143	1.0
471.09366	3.1
483.08850	0.6
489.10364	44.6
490.10553	2.6
501.10324	1.3
519.11493	14.1
520.11420	0.8
531.11145	1.1
559.94446	0.5
574.46979	0.5
591.13837	2.5
609.14581	100.0
610.14929	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66114	0.8
52.53459	0.8
59.01378	19.1
60.71532	0.9
61.98827	11.7
69.02884	0.8
71.01382	6.4
71.43826	2.0
73.02953	1.7
83.01395	1.0
85.02939	2.8
87.00903	1.4
99.00894	1.2
101.02439	3.4
113.02426	1.6
125.02444	1.5
193.56313	0.8
267.23108	1.9
269.24832	1.1
274.66678	0.8
311.25879	1.5
341.26953	1.5
359.28003	15.1
360.28259	1.0
401.29062	1.2
503.32263	11.5
521.33307	32.5
522.33606	3.6
563.34363	100.0
564.34650	9.5
607.29993	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	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
61.98833	100.0
73.69453	0.4
82.68647	0.4
88.14245	0.4
102.52699	0.4
151.04051	0.6
356.71097	0.4
439.58011	0.4
484.61139	0.5
492.09464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57606	0.3
60.47420	0.3
61.98831	100.0
69.20175	1.7
69.20616	0.9
102.51295	0.3
106.83377	0.3
109.64442	0.2
117.12166	0.3
120.28407	0.3
173.46524	0.3
194.94498	0.3
278.60162	0.3
510.12112	0.3
594.92340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.38285	0.3
64.38665	0.3
69.74972	0.3
71.51762	0.4
72.68757	0.3
75.61311	0.3
122.91715	0.3
152.99648	0.5
165.58896	0.3
289.07245	0.4
290.07645	0.8
399.81876	0.3
402.15918	0.3
491.78186	0.4
588.27051	0.7
606.32385	0.6
607.31396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	2.2
61.15045	2.6
63.72206	2.2
70.26242	5.3
70.26633	5.8
81.45071	2.4
87.00898	5.1
121.02956	100.0
125.02457	3.1
152.24670	2.3
154.08592	2.5
161.02335	2.6
253.03539	37.4
321.41592	2.5
401.77612	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	606.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50908	0.6
59.01385	4.7
61.98819	1.5
67.01895	1.1
68.99810	1.1
71.01379	9.5
72.99300	3.0
73.02917	0.6
75.00874	6.7
83.01392	0.7
85.02938	8.7
87.00872	2.8
89.02485	1.3
95.01374	1.9
96.12697	0.6
99.00889	7.9
101.02447	0.8
104.04974	0.6
106.06624	100.0
107.06953	1.8
113.02449	8.7
115.00382	0.8
117.01967	1.3
129.01897	0.8
146.08220	5.4
146.59631	0.7
150.05605	66.1
151.05922	0.9
157.01379	0.6
164.07178	2.7
175.02403	0.8
189.03943	1.0
191.04041	0.7
191.05508	3.9
192.06201	0.9
194.04578	20.2
218.10252	0.8
224.09276	0.9
231.05014	0.9
249.04024	0.5
249.06125	13.5
267.07144	3.9
268.08145	1.0
273.08115	0.6
275.75351	0.7
311.57623	0.6
312.05984	1.3
356.09976	0.8
382.11392	1.4
400.12466	12.1
426.10376	11.2
444.11441	99.9
445.11691	4.4
468.11295	0.8
486.12558	3.1
546.14746	1.1
606.16656	10.7
607.16644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.2
65.14474	1.6
65.91100	1.7
70.36823	2.0
71.51359	3.1
81.03442	3.6
83.01397	13.2
93.03459	5.7
95.05064	3.3
97.02958	6.5
109.02959	23.5
119.05012	3.0
121.02950	5.0
123.04528	13.1
125.02441	35.2
126.02769	1.8
133.02975	3.5
135.04529	5.4
137.02444	100.0
139.04015	5.4
149.02444	7.6
151.03984	9.4
154.05098	4.8
159.04556	3.8
161.02449	32.8
161.06082	5.3
162.03059	1.8
163.00264	2.2
163.03992	10.2
164.01208	2.8
165.01970	4.5
173.04564	4.2
174.38985	1.8
175.03993	7.3
177.01863	5.3
179.03458	6.8
185.06070	1.7
187.04005	11.3
188.04843	3.7
189.01886	3.6
191.05487	1.9
192.85048	1.9
201.05505	2.3
203.07150	13.0
205.01346	2.1
205.04987	8.9
221.08092	2.1
231.03009	2.3
243.02933	6.5
245.04567	3.1
245.08170	11.6
255.02908	3.5
257.04526	8.5
267.02997	7.3
268.03683	3.9
269.04529	2.8
278.50494	1.9
281.04703	3.3
283.06134	2.2
285.04013	5.2
287.05579	5.5
289.07169	57.0
290.07462	3.1
297.04233	2.3
299.05630	16.2
301.07056	2.0
353.08661	2.2
419.07693	60.6
420.08191	4.1
437.08698	51.2
438.09103	3.8
451.10397	18.5
454.11304	5.2
497.83823	1.8
571.12396	2.0
589.13672	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93676	1.9
59.01381	23.5
61.98831	23.9
64.11911	1.9
69.22008	8.8
69.22432	10.0
71.01379	10.8
73.02940	3.7
78.95867	2.5
83.01395	2.9
85.02944	3.0
87.00867	2.7
89.02400	1.8
96.95995	7.0
96.96972	2.7
97.06586	2.0
99.00895	2.5
101.02425	6.9
119.11987	1.8
159.10359	2.4
171.10208	2.1
209.11810	2.1
309.02188	1.9
327.25311	2.0
357.26346	8.3
403.09283	1.9
426.45715	2.2
484.69687	1.8
489.30777	5.5
501.30460	9.4
519.31641	23.4
561.32770	100.0
562.32947	6.6
605.31104	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	605.2408
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.76946	0.4
52.49995	0.3
57.89103	0.4
61.98841	0.6
62.20528	0.3
62.81360	0.3
65.80346	0.3
71.09013	0.4
80.48540	0.4
95.32856	0.3
95.93758	0.4
99.99468	0.4
104.41485	0.4
116.29198	0.4
137.74416	0.4
246.73862	0.3
257.44724	0.4
378.67294	0.5
394.12057	0.6
397.92984	0.4
415.15552	0.8
429.17084	0.6
430.18106	1.2
443.18945	0.7
444.19846	0.5
457.20905	2.1
458.17099	0.5
459.17639	2.6
470.21198	0.4
471.18472	1.5
472.19092	0.7
473.19794	4.7
474.20264	0.5
475.21365	0.6
485.19672	1.5
485.24792	0.6
486.21136	2.6
487.21506	1.0
496.19077	1.0
499.17657	2.3
501.24142	2.1
503.21228	0.5
511.21130	2.5
513.19141	2.2
514.20123	8.3
515.20160	0.9
517.18402	0.7
518.19495	1.7
528.21545	0.9
529.22437	100.0
530.22729	11.9
532.21356	1.8
533.22119	1.6
561.24957	1.5
573.21313	1.3
605.24139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57717	1.1
54.24640	1.2
57.03458	1.8
59.01398	1.2
61.38914	1.4
66.03481	1.1
68.01427	1.7
71.01388	1.8
71.50964	1.9
74.59306	1.0
82.02990	3.5
84.04573	1.6
87.00890	3.2
94.03040	1.5
95.02508	3.5
96.96020	1.4
97.04078	7.3
98.01235	1.5
100.17603	1.2
102.05612	17.5
108.04549	1.5
109.04079	21.0
123.05602	2.5
124.04055	2.7
128.03540	71.2
129.01909	1.2
129.10356	2.7
130.08723	10.8
135.02010	2.3
137.03540	2.9
138.06734	1.3
139.08743	1.5
140.07185	1.4
146.04599	22.9
148.02725	1.0
149.03539	4.2
151.05096	2.0
153.03056	4.5
155.04677	6.8
155.08260	60.8
156.06664	3.2
161.03711	1.8
167.04604	4.8
167.08284	5.8
170.05713	2.7
171.15038	3.4
172.30379	1.3
177.03006	2.1
181.09850	1.4
197.12799	1.8
204.11475	1.7
205.04956	1.2
210.05223	3.6
215.13983	5.3
222.12517	3.4
241.11995	6.4
244.13240	1.2
248.10327	2.8
259.12997	9.4
262.11996	3.9
266.11441	5.2
274.12051	1.6
283.14117	10.8
285.10928	3.1
306.10840	2.1
314.76627	1.2
323.13547	4.5
341.14664	6.4
395.15933	7.5
412.18353	100.0
413.18762	6.0
434.16510	2.0
440.17941	1.6
452.17899	14.7
453.16583	4.1
465.16412	2.0
470.18930	35.4
471.18994	2.4
482.18845	4.9
500.20105	2.2
524.20184	2.8
542.21094	5.8
560.21967	10.6
604.21112	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06234	2.2
51.11024	1.9
56.88311	1.8
59.01381	2.5
60.99307	15.1
61.98820	3.1
67.95553	2.0
70.03075	10.2
87.00897	3.1
88.00414	18.5
88.04043	4.7
88.98811	75.3
89.02446	100.0
114.64654	1.8
117.68140	2.4
167.57104	2.2
269.46307	2.3
425.48798	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78371	2.7
57.03431	2.5
59.01382	34.5
61.98827	16.2
69.49239	18.4
71.01384	7.6
83.01391	3.3
85.02956	3.3
86.65345	2.7
89.02451	8.8
90.39458	2.6
97.06584	6.8
101.02445	13.6
113.02441	7.9
119.03491	3.8
123.04567	5.8
125.09725	10.0
137.09737	3.6
137.25883	4.0
143.04622	4.7
161.04474	4.6
163.11295	10.0
171.10289	7.5
181.12390	2.7
185.11816	11.6
191.14384	7.8
207.10205	5.2
209.11824	25.4
211.13461	6.9
237.11192	5.8
241.14421	4.6
245.19101	19.4
253.09303	40.2
263.20178	6.1
289.18085	100.0
290.18408	4.0
307.19147	92.6
308.19479	4.0
362.23831	2.9
543.28394	3.4
557.29730	3.6
603.30157	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.9
57.03447	0.9
59.01382	8.6
61.98818	2.6
69.03455	4.3
69.84130	4.7
71.01388	5.7
73.02944	2.4
85.02950	1.4
87.00885	1.2
89.02451	2.7
92.21972	0.7
97.06546	1.0
97.55219	0.8
99.04482	0.9
101.02438	5.9
113.02448	1.6
119.03487	1.0
123.08191	1.2
125.09701	2.0
143.10779	91.5
144.11122	1.5
145.05125	1.2
151.11284	2.9
158.35684	0.8
161.04611	1.2
161.08476	0.9
161.09686	4.9
163.06133	1.3
179.10760	10.2
197.11835	45.5
197.71936	0.9
198.12096	2.2
223.09676	1.0
235.08244	1.6
235.16957	4.1
241.10857	2.1
253.09271	3.0
261.42941	0.9
264.20306	0.9
459.18240	1.0
603.30243	100.0
604.30560	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.01379	9.3
61.98532	1.2
61.98831	14.0
69.23959	6.8
71.01384	6.7
71.05015	1.1
72.99293	0.8
73.02950	1.3
78.95908	1.8
83.01392	1.5
83.05006	1.4
85.02938	1.8
87.00862	2.9
89.02431	2.5
93.40598	0.9
95.05028	0.8
96.96007	4.9
96.96944	1.8
97.06569	1.9
99.00845	0.9
101.02437	4.6
104.86572	0.7
113.02432	3.3
119.04983	0.8
125.02437	1.4
125.09721	4.0
145.05032	0.9
151.11328	0.9
153.12865	2.3
157.08711	15.4
161.04539	1.7
169.12300	1.1
171.10289	4.5
175.04063	0.8
185.11800	6.2
187.09647	1.0
197.11758	1.9
199.09773	2.0
209.11823	14.0
209.13733	0.9
210.12100	0.9
213.11423	1.9
227.12849	2.0
235.08218	1.5
241.10812	2.9
253.09340	2.2
256.03174	0.8
261.22278	4.9
279.23340	4.2
299.01782	1.1
305.21234	8.5
323.22253	3.7
331.19070	2.6
349.20181	14.4
367.21222	20.0
373.59875	1.0
385.22345	6.2
441.24976	1.6
600.42566	0.9
603.30237	100.0
604.30511	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51881	3.2
54.64780	3.6
59.01348	4.1
60.99294	14.0
61.98829	9.2
78.95886	4.1
88.00392	11.0
88.04050	5.4
88.98808	100.0
89.01926	5.8
89.02447	70.2
101.14319	3.2
106.14776	3.7
132.47360	3.0
139.27531	3.9
152.99568	3.2
219.06888	3.7
221.51350	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	603.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.7
60.41176	4.5
61.98831	50.0
69.23572	13.1
69.23989	30.5
71.01377	15.3
73.85248	4.7
81.50942	4.8
89.02444	7.4
97.06615	6.9
98.19865	11.1
101.02457	17.0
113.02449	5.1
143.10765	63.1
153.12848	6.4
157.08681	6.5
161.04561	4.7
165.12941	7.4
179.10837	6.3
181.12363	4.9
197.11833	88.5
209.11874	33.6
211.13463	8.8
223.09624	5.8
225.60115	5.1
227.12914	9.2
232.68309	5.6
245.19125	9.9
253.09232	23.8
263.20135	11.0
274.94449	5.7
289.18161	11.9
307.19092	51.8
355.32602	5.0
421.43945	4.7
445.20389	7.5
468.97772	4.6
543.28387	6.1
603.30328	100.0
604.30444	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	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.9
59.01382	0.6
61.98827	1.4
69.03447	0.8
71.43327	0.6
80.02648	0.5
83.05019	1.3
95.05042	1.1
96.96030	0.6
97.06587	11.9
110.20177	0.4
123.08175	7.5
125.09720	100.0
126.10068	2.1
143.10783	1.3
169.08728	2.7
171.10272	0.7
187.09749	73.6
188.10072	2.3
225.11308	1.7
243.12337	2.3
256.43704	0.5
261.13443	11.8
273.19162	0.4
288.25287	0.5
311.50345	0.5
413.21506	1.0
431.22821	24.9
432.23062	1.4
583.31757	0.9
601.32269	79.5
602.32635	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	601.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99548	1.0
57.03431	4.6
58.16128	1.1
59.01378	6.7
61.98828	8.8
67.41241	1.1
69.03412	1.6
71.01392	5.2
71.52416	1.9
73.02966	1.2
83.04997	1.5
85.02942	2.2
87.00884	2.0
89.02439	3.6
95.05041	1.1
97.06595	11.7
101.02422	4.3
113.02467	3.0
123.08162	7.2
125.09720	83.4
126.10069	2.3
139.03986	1.8
149.09735	1.3
151.11259	1.9
157.08676	3.9
161.04578	1.4
167.10793	1.9
169.08617	2.6
171.10251	14.4
177.09232	2.7
185.11659	1.5
187.09746	51.1
187.11426	2.5
195.10272	41.3
196.10626	1.8
197.11734	1.7
207.10297	1.4
209.11887	1.5
210.12219	1.2
211.13350	13.0
225.11269	2.4
253.09282	4.6
405.17651	5.1
423.18726	13.5
546.81189	1.2
601.28595	100.0
602.28870	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	601.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.9
59.01382	19.9
61.98536	3.4
61.98832	49.1
71.01394	9.4
71.52602	2.5
72.99315	19.1
73.02940	1.9
74.23501	1.6
75.00846	3.5
75.55393	1.8
83.01386	2.0
85.02956	3.0
87.00888	25.2
89.02449	4.6
93.03452	2.9
96.95990	2.5
101.02429	5.1
103.00381	4.8
105.60928	1.8
109.02945	2.4
113.02441	3.9
119.03534	2.2
119.04978	2.4
123.04548	2.1
125.02440	3.2
128.03566	9.9
130.08762	2.0
137.02502	2.5
138.37204	1.9
149.00916	100.0
161.04469	2.4
165.01782	2.0
173.04536	3.9
259.36484	2.0
295.02448	1.9
305.09219	1.8
376.91379	2.2
451.09753	2.4
541.26685	3.2
556.29706	5.6
557.29974	4.8
601.32166	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	600.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44625	0.2
56.79648	0.2
57.07964	0.2
59.01381	0.7
61.98830	100.0
63.60014	0.3
67.60899	0.3
71.01382	0.7
89.02449	0.4
92.02342	0.2
93.03439	0.4
108.29410	0.3
131.80620	0.3
135.04501	0.3
173.04616	1.2
179.03506	0.5
191.05684	0.4
222.76549	0.3
272.85089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76896	2.9
59.01379	37.9
61.98804	2.9
69.80487	3.9
69.80898	13.1
72.99306	3.6
87.00873	32.8
93.09811	2.8
103.00381	26.0
112.98824	40.1
113.06088	57.8
125.02472	3.3
130.99854	7.5
137.02504	4.6
149.00919	59.1
149.67175	2.8
173.04547	3.1
197.23817	3.0
245.06639	100.0
295.02185	3.2
310.09650	2.8
469.82205	3.0
527.18652	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	599.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46653	3.9
53.94548	3.7
59.01379	39.7
61.98838	13.0
71.01402	5.2
72.99318	8.4
85.02927	4.9
87.00880	33.9
89.02439	4.8
93.03466	9.9
103.00392	15.5
112.98805	29.2
113.06088	50.7
120.43633	4.2
125.02470	5.0
135.04565	5.1
137.02441	17.5
148.37831	4.0
149.00922	79.3
173.04559	5.2
191.05643	4.9
245.06674	100.0
267.07193	12.1
353.08627	4.7
599.20453	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	599.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32043	4.4
55.80906	4.0
59.01384	37.5
69.79171	22.8
71.01405	4.5
72.33208	4.4
72.99336	5.4
75.48737	4.0
86.36703	4.1
87.00895	30.5
98.20638	5.8
103.00394	26.5
112.98820	44.2
113.06091	67.1
130.99902	7.3
149.00948	50.9
168.20082	4.9
205.38885	4.4
214.87248	4.4
245.06639	100.0
267.07254	10.5
370.00436	4.4
416.00241	4.2
599.21124	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	599.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	6.5
71.01377	4.6
71.05665	1.6
71.06002	1.8
71.10783	1.0
82.00703	1.0
85.02934	1.5
89.02435	1.5
100.98776	1.3
114.15922	1.2
117.03468	6.5
120.74686	1.1
161.02480	1.5
164.97313	1.1
166.64746	1.3
173.02449	4.1
175.00406	7.5
249.05499	1.5
258.76361	1.2
269.04504	1.8
281.04486	2.8
282.04932	1.3
283.06210	3.2
289.70599	1.1
293.04553	100.0
294.04929	7.6
311.05664	8.0
413.08752	36.2
414.08896	2.1
443.10123	1.5
563.14069	62.6
564.14490	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	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82302	2.6
51.56181	2.3
58.02982	14.4
59.01370	3.0
59.96526	2.6
61.98830	45.3
69.74872	9.7
71.01391	3.6
72.97499	3.1
74.02480	29.2
82.02994	3.1
86.02491	8.5
87.05642	3.5
98.20590	3.8
99.05634	16.7
101.02424	3.2
101.07201	3.4
102.05592	5.3
109.04078	6.2
125.03575	3.2
128.03548	62.8
135.05649	5.1
137.07256	3.2
142.38416	2.6
143.03558	4.9
143.04633	82.5
145.06184	4.7
146.04584	8.4
146.17133	2.9
153.06709	6.9
166.09830	7.0
167.08304	4.0
171.10297	5.2
179.04652	21.4
185.05632	3.1
197.05756	2.9
209.11806	5.4
210.08853	20.8
254.07816	50.1
272.08911	100.0
325.18488	3.2
336.25934	3.0
469.23666	4.0
523.51611	3.1
529.24091	2.8
580.26794	3.9
598.27911	29.0
611.59009	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16426	0.4
58.02977	6.8
58.23344	0.4
59.01350	0.5
61.98815	2.4
66.03476	1.1
69.31085	3.9
70.02982	1.2
71.01388	0.5
72.00938	0.6
74.02477	16.2
81.04568	1.3
82.02972	1.8
85.04057	0.8
86.02473	6.7
86.06113	0.5
86.99086	1.3
87.05636	3.6
88.04037	0.6
90.00183	1.5
96.04543	0.7
97.04063	2.1
99.05641	13.3
101.07198	2.0
102.05608	2.5
107.06161	1.2
109.02949	0.7
109.04065	2.2
109.07690	0.9
111.05668	1.2
112.04047	1.5
113.03599	0.8
113.07216	0.6
116.01728	1.1
123.05634	1.2
124.04079	1.2
125.03565	1.4
127.05141	2.7
127.08728	0.5
128.03542	39.1
135.04535	1.6
135.05646	4.4
136.04886	1.0
137.07196	1.0
141.06723	3.2
143.04622	51.5
144.04922	0.6
145.06190	2.6
146.04602	5.7
149.07185	0.7
153.06696	3.1
160.00735	15.7
166.09912	2.6
167.04636	4.1
167.08249	2.4
170.03302	0.9
171.04108	0.5
171.07771	0.9
177.03352	6.3
179.03033	0.7
179.04610	11.7
181.06157	1.7
184.10857	0.8
185.05675	2.1
189.01910	0.5
192.07744	1.3
197.05620	1.4
198.08757	0.7
210.08827	11.3
215.03474	1.1
216.03880	0.6
228.09926	0.9
242.07680	0.8
254.07814	19.6
255.08296	0.6
272.08871	33.0
288.06613	9.8
306.07645	100.0
307.07947	2.9
328.81473	0.5
351.05093	0.5
451.92096	0.5
462.08963	1.2
469.24121	0.6
488.10739	1.6
598.14618	1.1
598.28076	7.1
599.28656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98831	5.9
70.54021	0.9
71.01391	0.8
71.42603	0.3
72.99313	1.4
73.02955	0.4
73.89831	0.2
75.00537	0.1
75.00874	10.9
81.03457	12.8
83.05029	39.0
84.05357	0.6
85.02966	0.6
87.00906	0.6
89.02454	0.7
89.26458	0.3
92.56907	0.2
96.96034	0.4
99.20183	0.2
100.07691	6.0
101.02466	0.4
101.96703	0.3
108.04561	0.4
109.03020	0.5
113.02452	0.3
119.03544	0.3
123.04541	0.4
126.05616	1.1
127.04044	0.5
135.04541	0.3
149.00940	0.9
177.01875	0.4
182.15533	0.5
189.01912	0.5
197.16731	0.3
199.18178	7.7
203.03465	0.3
207.15056	0.8
224.17673	0.8
225.16104	8.5
225.18321	0.4
226.16434	0.4
241.45204	0.3
243.17120	21.1
244.17509	0.6
246.91165	0.3
253.31120	0.3
269.15079	1.4
309.21814	1.2
341.06668	0.4
353.20847	6.5
354.21292	0.4
367.27759	0.3
425.35049	0.4
433.32098	0.4
435.11002	0.6
451.32883	2.4
465.27060	0.4
469.33932	14.1
470.34122	0.9
487.10040	0.8
553.39771	0.4
575.63428	0.3
579.37518	3.3
580.38104	0.3
597.38672	100.0
598.38995	9.9
598.48761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3276
Annotation	Cyl-2
Peak:m/z	Relative Intensity
52.38776	0.7
57.03442	6.0
58.00584	1.2
59.01075	0.8
59.01377	13.7
61.98824	7.0
69.03445	2.8
69.90297	0.7
71.01373	10.0
71.05009	1.6
72.99310	0.8
73.02968	0.8
78.95897	1.1
83.05029	1.7
84.15699	0.7
85.02946	2.3
88.53867	0.7
89.02447	5.9
95.01361	1.0
95.05036	1.0
97.06566	1.2
101.02442	6.2
111.08157	12.5
113.02447	2.6
114.40936	0.7
119.03499	2.1
129.71214	0.7
141.58499	0.7
147.11795	0.7
153.09218	0.9
161.04561	0.6
163.11313	1.7
165.12836	95.0
166.13168	3.5
173.09718	1.2
181.12372	2.7
183.13889	36.5
184.14185	1.2
189.12782	5.1
191.10767	3.0
193.39029	0.7
197.15463	6.1
207.13930	0.9
209.11827	7.7
227.12871	8.1
227.84799	0.9
364.01364	0.7
434.65222	0.9
435.18121	2.0
466.29303	0.7
550.20331	0.9
597.32788	100.0
598.33319	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	597.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
59.01114	4.0
59.01382	61.7
59.44547	3.2
59.56667	3.5
59.77621	2.7
71.01379	58.0
71.51588	5.4
72.99301	4.5
73.02930	8.8
75.45742	2.9
75.73043	2.8
83.01353	3.9
85.02925	13.5
87.00889	16.0
89.01934	5.6
89.02449	75.9
93.03435	3.7
99.00882	3.3
101.02441	33.8
111.00877	12.6
113.02419	9.3
119.03535	4.2
120.29740	2.6
125.02458	8.0
131.03497	33.2
133.02898	5.1
135.04468	4.1
149.02452	22.4
149.04544	47.8
150.03214	28.6
164.04779	3.9
165.05545	27.9
167.03436	7.9
173.04517	5.4
179.03386	3.6
179.07100	3.1
191.01958	4.4
191.05608	31.5
192.05873	4.6
194.17937	3.2
195.06549	5.7
205.05061	4.3
206.19804	3.8
209.08228	3.6
243.06517	4.7
266.85196	3.0
299.07806	7.3
304.22571	2.9
337.09396	3.6
423.48392	3.4
461.14359	15.2
537.25555	100.0
538.25922	7.7
597.17877	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01374	6.7
59.35561	0.9
61.98839	2.4
68.99828	2.0
69.03454	1.3
69.63148	4.3
69.63556	2.2
71.01385	4.9
72.99295	1.5
73.02943	1.9
75.00871	3.8
81.03459	9.0
83.01382	7.7
85.02962	2.9
87.00875	2.4
93.03455	10.5
95.01404	3.2
95.05006	5.8
97.02950	4.1
98.20586	2.1
99.04505	1.5
107.05005	1.3
108.02200	1.4
109.02932	5.1
111.04514	3.7
113.02474	2.4
115.00385	1.4
119.05009	10.6
121.02944	4.7
121.06607	1.6
123.04529	22.1
125.02451	15.6
131.01396	2.4
133.01396	2.1
135.04515	5.4
137.02452	6.9
137.06079	5.4
139.04005	10.3
147.04524	3.8
149.00922	3.9
149.02443	10.5
149.06073	2.5
150.03038	1.0
151.04025	5.3
153.05478	1.3
161.02438	1.1
161.06087	1.6
163.04004	3.8
163.07642	1.3
165.01927	2.5
165.05566	7.6
166.02704	5.6
167.03493	37.0
175.00392	5.5
175.04019	1.5
177.01930	1.7
177.05635	2.2
179.03513	10.5
179.07072	2.3
180.04257	2.4
181.05078	2.9
189.05569	8.9
191.03496	46.7
192.03825	1.9
193.05045	4.5
197.04532	5.1
203.03452	4.2
205.01398	1.5
205.05074	1.7
207.02914	1.2
207.06586	2.4
209.04539	27.9
217.01329	1.5
219.02951	1.8
221.04550	6.3
223.06155	1.2
229.08617	1.5
233.04570	4.5
235.06039	1.0
239.05569	11.2
251.05556	4.5
263.05530	1.2
269.06522	2.5
273.07690	11.2
285.07782	2.3
289.07239	1.6
297.07648	31.6
297.11023	1.6
314.07794	1.8
315.08737	27.5
327.08612	7.7
339.08871	3.0
341.06631	5.0
345.09747	8.5
357.09778	100.0
358.10278	5.8
369.09940	6.5
387.10828	81.4
388.11093	3.9
399.10803	6.7
411.10907	1.3
417.11877	27.3
418.12943	1.3
429.11703	2.2
435.12906	11.9
459.13010	11.7
465.27173	1.4
477.14038	47.1
478.14023	2.2
489.14130	6.8
507.15308	3.1
579.17126	2.2
597.17938	16.6
597.25153	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59659	1.2
58.82701	1.1
59.01382	7.1
61.98829	3.5
62.51235	1.2
67.65162	1.0
71.01376	9.4
71.51964	1.3
73.02970	2.7
81.03463	5.7
83.01406	3.4
85.02973	2.1
87.00880	12.4
89.02447	7.5
93.03453	3.4
95.05041	2.3
97.02952	2.9
99.00861	2.2
99.04531	4.2
100.01714	1.5
101.02460	4.0
105.03460	2.4
107.15676	1.2
109.02930	8.5
111.00901	7.2
112.98814	2.7
113.02437	1.7
119.05085	2.0
121.02951	9.8
122.03728	5.9
123.00889	3.0
123.04515	6.4
125.02434	11.8
131.03552	3.4
133.02962	17.4
135.04538	2.8
137.02432	6.4
139.03998	1.8
142.99875	1.8
147.04504	1.5
149.02438	100.0
149.04419	2.5
150.03232	49.7
151.00366	1.8
151.04002	5.1
161.02435	2.8
163.04039	3.4
164.04808	5.5
165.01958	2.3
165.05554	48.0
166.02711	11.7
166.05898	1.9
167.03491	29.5
173.00946	4.4
173.02376	2.3
174.01682	1.7
175.00377	3.7
175.04025	3.4
176.04831	2.1
177.01935	6.0
178.06377	1.3
178.53571	1.1
179.03455	6.3
179.07072	2.7
180.04269	5.7
181.05084	4.0
191.03520	9.4
193.01465	2.0
194.05835	3.9
195.06624	23.0
197.04610	3.5
203.03429	1.7
205.01408	2.3
205.05022	2.0
206.02158	5.9
206.05864	1.3
207.06564	1.4
209.04543	2.1
209.08224	4.0
217.01482	8.9
219.03023	2.0
221.08206	3.5
233.04474	1.6
234.01648	2.9
234.05276	1.4
235.02507	3.6
239.05565	1.6
249.07687	1.5
261.03998	2.4
262.04892	3.7
264.06485	2.9
265.07224	2.4
276.06516	1.8
277.07278	5.7
291.08591	1.2
299.07684	47.3
300.08206	2.4
306.08142	1.2
327.05344	1.5
337.09225	16.7
345.06140	13.2
367.06644	15.1
369.13626	6.0
375.07376	1.8
413.12585	2.5
419.11963	19.3
461.14581	20.0
477.10312	25.6
478.10855	1.5
487.11151	6.5
521.16418	2.1
533.16736	4.3
537.25696	3.8
579.17346	10.5
597.18225	49.6
598.18768	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01159	0.9
59.01381	8.7
59.46347	0.9
61.98813	3.0
69.28904	5.7
71.01379	7.3
73.02959	0.8
81.03468	5.9
83.01381	2.6
85.02936	1.5
87.00857	3.8
89.02442	8.3
93.03458	1.8
93.51715	0.7
95.05042	4.4
97.02947	2.5
98.20692	1.7
99.04508	4.4
100.86775	0.8
101.02427	4.0
105.03480	3.8
107.01348	2.9
109.02955	8.0
111.00851	1.6
113.02426	1.1
121.02955	7.2
123.04527	4.9
124.63392	0.8
125.02446	15.5
130.14421	0.8
131.03470	3.4
133.02951	17.8
134.50285	0.9
135.04495	1.3
137.02469	5.3
138.03180	2.7
139.03975	2.5
142.85875	0.7
147.04541	1.7
149.02434	100.0
149.04463	5.4
150.03223	8.5
151.03955	3.0
161.02310	1.0
162.86113	0.8
163.03983	2.3
164.04736	1.2
165.01978	1.8
165.05588	11.5
166.02687	8.2
167.03484	41.1
168.03708	2.0
173.02397	2.8
175.00337	3.1
177.01929	6.0
177.42891	0.9
179.03493	5.3
180.04280	1.8
191.03467	6.9
191.05505	1.5
193.01367	1.7
195.06613	3.8
197.04495	5.3
205.01373	2.1
206.02124	7.9
208.03735	1.9
209.04549	1.3
217.01407	10.5
221.04433	0.8
234.01736	3.7
235.02452	4.0
239.05344	0.9
287.07477	1.0
299.07703	52.5
300.08060	2.9
315.06934	0.8
319.41803	1.0
327.04974	1.3
337.05560	2.0
337.09250	3.2
345.06122	20.0
346.06433	1.1
367.06656	18.3
368.06866	1.2
375.07111	3.5
419.11917	23.3
420.12500	1.3
459.08923	1.1
461.14603	3.8
465.10272	1.9
477.03778	1.5
477.10352	27.8
478.10712	2.2
487.10907	9.6
537.25482	7.5
579.17712	1.3
597.16211	11.6
598.17267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69168	0.3
56.41188	0.4
59.01418	0.9
61.98830	7.8
64.29949	0.5
68.48730	0.4
69.50030	2.8
71.01396	0.4
77.10253	0.4
92.33088	0.5
93.03476	5.0
95.05111	1.5
100.28745	0.4
101.22317	0.5
108.02264	0.7
109.02958	15.3
117.03537	0.5
119.05117	1.5
121.03023	1.2
123.04527	16.1
129.95490	0.6
133.03033	1.0
145.03098	1.4
147.04573	0.6
149.02502	0.8
150.03252	0.9
151.04021	10.9
161.02473	2.6
177.01909	3.4
185.02457	0.5
187.04028	0.6
189.01927	4.6
190.02814	1.9
191.03520	0.7
201.02049	0.6
202.02789	1.1
203.03586	1.1
205.01584	0.7
205.05110	0.7
213.02002	0.7
214.02798	0.8
215.03491	4.6
216.00760	0.9
217.01389	5.4
217.04884	0.4
219.03123	1.4
229.01546	1.3
230.02242	0.5
231.03065	1.7
237.05663	0.8
239.03535	0.7
241.05013	1.0
242.02203	4.2
243.02934	3.3
255.03200	0.5
257.04715	0.9
265.05164	0.6
269.01041	2.0
274.01135	2.1
279.06802	0.6
281.04532	2.4
283.06052	0.5
284.03406	1.0
290.06015	0.5
291.06796	1.1
293.04587	3.4
295.06119	2.8
307.06085	7.0
308.06851	3.7
309.04147	0.6
318.05252	0.6
321.04120	1.3
322.04971	0.8
323.05606	6.8
333.07724	3.9
334.08087	0.7
335.05688	2.0
336.06375	1.0
337.07230	1.7
340.05762	0.6
341.06635	14.5
341.10605	0.8
342.06915	0.5
349.07114	1.9
351.04932	0.6
363.05035	8.6
366.76010	0.5
367.08289	0.8
368.05386	1.0
377.06702	1.2
378.07547	0.7
379.04437	0.8
393.06177	13.2
394.06696	0.8
400.49326	0.5
417.65878	0.5
427.08432	0.5
435.10904	2.3
445.09207	2.7
473.08789	1.2
487.10352	100.0
488.10733	8.8
499.59747	0.6
503.09717	6.2
504.10574	0.7
597.13995	23.0
597.28455	1.0
598.14337	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	597.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01382	3.1
61.98831	16.7
66.99560	0.7
71.01405	1.6
72.99326	1.8
73.02948	0.5
75.00875	0.9
76.01828	0.5
83.01434	0.7
85.02974	0.9
87.00918	0.6
88.98805	3.1
89.02470	0.9
93.03457	4.6
93.03912	0.4
95.05043	1.8
96.96052	0.6
99.83833	0.5
101.02458	1.0
103.04063	0.7
108.02217	0.7
109.02949	13.3
110.62517	0.5
119.05058	1.7
121.02995	0.5
122.03765	0.6
123.04527	17.5
125.02444	0.6
133.02979	0.8
135.04590	1.3
137.02461	0.8
145.02962	1.2
149.01004	0.8
149.02441	1.2
150.03255	1.1
151.04010	10.6
161.02481	2.0
163.04105	0.7
175.00394	1.2
175.03938	0.5
177.01965	3.0
187.00287	0.5
189.01961	5.6
190.02699	3.2
191.03464	1.7
201.01875	0.8
203.03462	0.8
205.01437	0.5
205.05019	2.5
206.05446	0.8
214.02817	0.7
215.03539	4.1
217.01398	5.2
219.03061	1.5
229.01523	1.0
231.02930	0.9
239.03506	0.8
241.05179	0.7
242.02209	3.1
243.03049	2.2
247.07793	0.6
249.05905	0.5
257.04672	0.7
261.03940	0.7
263.06812	0.8
269.01071	1.1
274.01254	1.9
281.04507	3.1
283.06165	1.0
284.03317	0.9
291.06747	1.0
293.04657	3.6
295.06024	3.4
307.06107	7.2
308.06873	4.8
321.04068	1.2
322.04822	1.4
323.05542	7.6
333.07739	4.6
335.05603	2.5
336.06378	1.0
337.07297	1.1
340.05743	1.0
341.06671	10.2
349.07150	1.6
363.05124	9.5
367.08337	3.0
368.05206	0.7
377.06680	1.3
378.07294	0.5
393.06168	10.2
394.06348	0.8
435.10971	0.7
445.09317	2.5
451.10233	1.5
487.10336	100.0
488.10645	7.6
596.27386	1.1
597.13971	23.4
597.28088	2.5
598.14581	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	597.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48236	0.4
55.06650	0.4
58.69884	0.4
59.01366	0.9
60.99308	0.4
61.98829	5.4
63.68016	0.4
65.81590	0.5
81.03463	0.5
88.98807	3.4
93.03462	3.9
95.05019	1.6
98.19845	0.7
108.02187	0.6
109.02951	11.3
113.63942	0.4
119.05012	1.4
121.02923	0.7
122.03703	0.7
123.03615	1.0
123.04517	15.6
124.04841	0.5
133.02945	0.7
145.02968	1.1
149.02448	0.7
150.03233	0.9
151.04005	11.0
161.02431	1.7
177.01932	2.4
187.04050	0.6
189.01930	3.9
190.02774	0.8
191.03465	0.8
201.01939	0.7
202.02750	0.9
203.03459	0.7
214.02713	0.4
215.03484	4.7
216.00520	0.7
217.01398	3.7
219.02905	1.1
219.08121	0.5
229.01210	0.7
231.02936	1.2
234.01675	0.5
239.03366	0.9
241.05101	0.9
242.02191	2.2
243.02907	2.3
246.01558	0.5
251.07120	0.5
255.02881	0.5
257.04688	0.9
263.07196	0.6
269.00879	1.8
274.01144	1.4
277.04752	0.5
279.06671	0.7
281.04553	3.1
282.04761	0.6
283.06003	0.6
284.03168	0.9
289.08868	0.6
291.06577	1.0
293.04514	3.4
295.06076	3.1
305.07928	0.7
307.06097	7.1
308.06921	4.5
321.04041	1.3
322.04599	1.0
323.05566	7.3
333.07623	4.8
334.08167	0.7
335.05667	2.7
336.06247	1.0
337.07120	1.5
340.05704	0.5
341.06662	9.8
342.07095	0.7
349.07123	1.8
363.05103	9.5
364.05344	0.8
365.06644	0.8
366.07611	0.4
367.08148	0.5
368.05301	1.1
377.06558	0.7
378.07437	0.5
393.06177	9.4
435.10947	0.5
445.09341	2.9
451.10144	1.2
487.10321	100.0
488.10675	9.9
561.25128	0.9
597.14032	22.2
598.14441	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	597.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33379	0.4
59.01382	6.2
61.98827	1.6
66.89569	0.5
71.01386	1.0
71.28668	0.9
72.99313	12.5
73.02941	0.7
80.40416	0.5
82.27023	0.5
85.02938	0.5
87.00880	20.1
94.44518	0.5
101.02472	0.5
103.00376	4.7
105.01883	1.3
130.99863	1.1
149.00923	100.0
150.01277	1.3
191.54529	0.6
209.01250	0.5
284.03149	0.8
297.04056	0.6
297.81650	0.6
298.42221	0.5
299.05579	1.0
327.05191	4.3
344.49716	0.5
357.06213	0.8
357.93268	0.5
447.09195	3.4
467.50540	0.6
482.98193	0.6
537.29523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02758	0.4
59.01383	2.2
61.98831	100.0
67.29291	0.4
71.01401	1.0
72.99311	1.1
75.00867	0.5
83.01406	0.3
85.02958	0.7
88.98811	0.4
89.02456	0.4
101.02514	0.3
109.02931	0.5
113.02473	0.4
119.05070	1.0
123.04536	0.4
123.36676	0.3
125.02395	0.5
145.02969	0.4
149.00899	1.9
151.04028	0.4
163.04068	0.7
170.72479	0.3
173.04570	0.4
177.01933	1.0
179.03708	0.3
189.01941	1.4
190.02727	0.3
217.01530	0.4
225.07652	0.5
299.05707	0.4
341.06741	1.1
345.52417	0.3
375.27802	0.6
435.10709	2.4
447.69644	0.3
457.14334	0.4
536.29150	0.4
552.31433	0.5
596.29303	0.7
612.14844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
59.01381	1.9
61.98831	100.0
62.98569	0.2
71.01396	1.0
72.99330	1.1
74.46981	0.2
85.02980	0.3
87.00880	1.3
88.98833	0.4
89.02459	0.5
90.07727	0.2
93.03446	0.2
98.30646	0.2
99.00927	0.3
99.04514	0.3
101.02465	0.8
103.00378	0.3
109.02956	0.4
113.02477	0.3
125.02447	0.6
132.69527	0.2
149.00926	6.0
158.19058	0.2
173.04611	0.4
189.02155	0.3
217.01569	0.2
267.07602	0.2
341.06558	0.4
435.10947	0.5
443.87842	0.3
465.27133	0.3
536.27686	0.8
596.15002	0.3
597.31592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38392	1.2
55.01863	2.3
57.03441	1.9
59.01380	54.6
61.98829	16.3
69.03449	1.5
69.36707	7.7
69.37114	2.5
70.18591	1.3
71.01385	35.2
72.99313	5.4
73.02943	15.5
75.00873	15.7
78.95869	1.3
81.03459	1.4
83.01379	8.7
83.04980	1.4
85.02949	14.3
87.00890	6.2
88.98796	3.5
89.02451	15.9
93.03459	2.3
95.01385	3.0
96.96008	1.5
97.02940	2.7
99.00887	5.3
101.02442	29.3
103.03998	2.4
109.02969	2.6
111.00906	1.3
112.98816	3.4
113.02449	17.4
119.03503	3.5
125.02456	5.6
135.04521	2.7
143.03505	2.9
149.04504	1.5
151.03998	2.0
155.10800	1.7
159.03026	2.5
161.04546	10.9
163.00339	1.2
163.06104	5.6
175.00296	1.7
175.02542	1.5
177.01961	2.0
197.11794	3.7
205.07205	2.2
227.03410	2.4
227.16559	4.5
228.03854	1.5
229.04424	1.3
241.04836	1.4
247.08185	1.3
255.02771	2.3
256.03339	2.6
257.03690	2.6
284.03220	3.8
285.03845	8.6
286.04221	6.1
287.04593	4.8
293.04706	1.8
307.10211	1.7
311.05615	1.3
345.22720	2.5
389.21823	10.0
397.13382	1.4
415.00006	1.3
463.21545	2.9
488.53323	1.2
505.26489	2.4
535.27570	100.0
536.28021	7.1
537.24738	1.4
551.30591	5.1
553.28278	3.4
595.15094	18.2
595.29132	11.7
596.29926	2.1
596.40308	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	595.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
56.47041	1.1
57.03433	3.6
58.00590	1.6
59.01378	52.6
61.98537	2.1
61.98829	23.3
69.03433	1.7
69.23087	5.0
69.23506	6.3
71.01376	36.2
72.99297	5.0
73.02554	1.6
73.02942	16.0
73.69293	1.2
74.09938	1.0
75.00873	18.4
78.95877	1.1
83.01399	6.8
83.05045	2.0
85.02950	18.8
87.00866	5.1
88.70945	1.1
88.98812	6.6
89.02443	15.7
93.03461	2.2
95.01380	2.6
96.44521	1.1
97.02957	2.2
99.00863	4.6
101.02451	27.3
103.03992	2.5
109.02938	2.7
111.04501	1.3
112.98815	3.3
113.02453	13.2
115.20586	1.1
117.03426	1.5
119.03477	3.5
119.05065	1.3
123.04475	2.2
125.02422	5.2
129.02007	1.3
135.04504	1.9
137.02448	1.4
143.03452	2.4
145.05061	1.4
149.00977	1.7
151.03925	1.4
151.42963	1.3
155.10806	1.6
159.02997	2.4
159.09448	1.1
161.04536	10.2
163.06128	7.1
171.10268	1.2
173.04488	2.1
175.03958	1.4
177.01944	1.7
191.05589	1.7
197.11839	1.8
227.03459	1.4
227.16475	5.2
243.16919	1.3
255.02937	1.8
256.03308	1.8
259.46387	1.3
284.03372	1.4
285.03906	4.1
286.04047	5.3
287.04861	1.2
293.04437	1.6
318.58923	1.3
389.21729	11.5
438.56680	1.6
505.26526	2.6
535.27533	100.0
536.27606	6.7
551.30615	6.4
553.28400	2.2
563.14215	2.1
595.15112	11.8
595.29572	10.6
596.40491	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	595.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46360	1.0
55.01880	2.3
57.03434	1.5
59.01378	49.0
61.98840	6.6
63.04696	1.0
63.38301	1.0
69.64043	4.4
69.64445	1.8
71.01378	36.5
72.99310	2.0
73.02946	17.2
75.00866	2.6
83.01395	10.4
85.02945	20.6
87.00878	2.6
89.02448	8.6
95.01370	3.3
97.02935	1.3
99.00901	5.5
101.02446	33.7
103.04004	3.7
110.50176	1.1
113.02446	14.2
119.03477	2.2
119.05032	2.4
121.02933	4.0
125.02431	5.0
131.01361	1.3
143.03471	2.1
145.05092	1.7
155.10783	1.6
159.02977	2.7
161.04546	11.5
161.12552	1.2
163.06161	7.3
168.14893	1.1
175.00285	3.3
205.07260	1.5
205.14726	1.3
209.04494	2.0
227.16493	2.1
230.87805	1.2
247.08269	2.5
250.46695	1.0
286.38153	1.1
295.06161	2.6
298.04706	1.2
300.05331	1.8
313.07333	2.8
353.92569	1.0
389.21750	25.2
475.12167	2.3
507.72769	1.2
526.24847	1.6
535.27545	100.0
536.28015	9.4
595.15753	4.9
595.22833	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	595.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61105	0.7
55.01865	2.5
56.48312	0.7
57.03438	2.8
58.00598	1.2
59.01380	42.5
61.98820	2.6
69.03457	1.1
69.94152	2.6
71.01382	34.5
72.99304	2.1
73.02943	16.9
74.96706	0.8
75.00858	1.6
75.44581	0.7
81.03435	1.1
83.01396	8.9
85.02953	18.7
87.00861	3.1
89.02446	9.6
93.03488	0.9
95.01386	3.0
97.02948	2.3
99.00880	5.7
101.02443	31.8
103.04032	3.6
111.00866	0.9
113.02447	14.3
117.03498	0.9
119.03489	2.9
120.64745	0.8
121.02981	1.1
123.04443	0.9
125.02460	5.1
129.02034	0.7
131.03529	0.9
135.04501	1.1
137.02379	0.8
143.03456	1.4
144.84433	0.8
149.02408	1.4
149.09216	0.7
155.03577	1.0
155.10796	1.1
159.02953	2.9
161.02463	0.9
161.04550	14.4
163.06139	5.2
193.01353	0.9
205.07179	1.7
209.04498	1.3
227.16423	1.5
229.07051	1.3
247.08199	0.8
289.07202	1.2
297.07477	1.1
298.07837	1.1
299.08316	1.2
307.10291	2.1
313.03702	0.9
343.04358	1.5
353.06689	1.5
354.07117	1.9
355.07214	3.4
373.05383	1.0
383.07587	1.3
385.08310	2.6
389.21820	23.1
390.22327	1.5
403.60629	0.9
463.09140	1.8
475.11615	2.2
535.27582	100.0
536.27863	8.5
538.06598	0.7
591.82373	0.9
595.15289	13.7
596.15973	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	595.2763
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
51.11575	0.5
57.48430	0.6
59.01385	2.9
61.98847	3.6
68.00980	0.6
71.01383	3.8
71.51134	0.6
72.99322	1.0
73.02951	1.2
78.14022	0.5
85.02946	2.1
87.00867	0.7
91.01882	1.5
93.03448	1.5
99.00834	1.0
101.02441	2.0
113.02445	1.3
119.01393	4.8
121.02955	3.2
123.04485	0.7
125.02447	0.8
127.60655	0.6
134.03732	1.2
135.04494	2.2
147.00864	5.8
147.04468	0.6
149.02454	9.9
152.01137	2.0
163.04001	2.4
164.04796	7.5
165.01906	1.3
169.05084	0.9
175.00366	25.3
176.00966	1.0
181.55493	0.6
189.01825	0.8
190.02719	61.9
191.03201	2.7
194.02310	0.6
199.88800	0.7
205.05051	62.2
206.05402	1.9
207.03030	0.7
207.06522	0.8
208.03740	1.4
209.04514	1.8
223.06107	9.0
229.44479	0.7
251.05667	0.7
288.76431	0.6
342.07703	0.7
373.25995	2.8
557.96631	0.6
558.06354	0.6
565.23193	2.9
580.25092	1.8
595.27600	100.0
596.27838	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.34641	0.8
59.01387	1.0
61.98816	0.8
78.95904	69.4
80.91691	2.3
96.96027	0.9
96.96968	12.9
96.97529	1.4
109.72850	0.8
128.73146	0.9
150.98010	1.5
152.99583	100.0
171.00633	3.9
191.48846	0.8
197.73676	0.8
223.00130	11.7
241.01186	29.5
261.22491	1.1
277.21991	0.9
279.23282	70.0
280.23694	3.7
315.04871	20.1
333.05716	1.4
356.33643	0.8
595.28870	96.8
596.29230	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	595.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03438	2.3
59.01380	22.4
61.98838	9.0
64.53088	0.7
67.01865	0.7
68.99831	0.9
69.03444	1.2
71.01387	25.4
71.52388	1.3
72.99310	4.7
73.02946	3.0
75.00871	8.8
83.01391	2.6
85.02955	17.0
87.00879	5.7
89.02453	10.4
93.03450	0.8
95.01397	3.6
97.02950	2.5
99.00897	7.3
101.02467	7.2
103.00375	0.9
109.02953	1.3
111.00941	1.0
112.98849	0.8
113.02454	20.0
114.02788	1.0
115.00372	0.8
117.01934	2.0
119.03497	1.5
119.05009	1.2
120.33124	0.7
121.03030	1.0
125.02415	1.1
129.02017	0.8
139.11317	3.8
163.04060	0.8
165.09209	4.0
175.00304	0.9
175.02545	1.4
175.13695	0.8
183.10236	2.9
205.07199	1.6
245.09296	1.4
249.06149	11.1
267.07230	11.3
293.04501	1.2
304.75983	0.9
305.83078	0.8
323.05600	0.9
463.25662	1.5
535.27405	3.0
595.22522	100.0
596.22729	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	595.1669
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01377	2.8
61.50035	1.3
67.01890	1.7
70.04418	1.9
70.04765	5.7
71.01379	3.2
74.26672	1.7
79.01890	3.2
81.03456	3.5
83.01395	5.9
85.02946	2.1
92.34632	1.5
93.03455	7.2
95.01343	3.7
97.02985	2.9
107.01393	8.6
109.02980	4.1
111.00951	1.9
111.04520	2.4
113.02471	3.3
117.03454	1.8
117.83137	1.3
119.05029	41.9
121.02956	6.2
123.00880	1.8
123.04552	3.8
125.02441	11.2
135.04553	4.9
137.02469	4.5
139.04008	6.0
143.05078	5.9
145.02031	1.4
145.02916	8.1
147.04553	3.8
149.02448	11.4
151.00362	4.9
151.04016	2.9
155.03574	2.3
157.64520	1.5
159.04465	1.6
161.06075	4.1
163.00375	3.0
163.04025	5.1
164.01158	2.4
165.01924	7.7
165.05545	2.0
165.44403	1.4
167.03508	11.3
175.00377	2.4
175.04140	1.8
177.01964	4.9
177.05530	1.5
179.03471	3.4
181.05054	1.9
185.06042	2.0
187.03926	6.9
189.01961	2.0
191.03517	4.1
191.05275	1.5
192.30949	1.6
193.01401	10.8
197.04578	3.5
199.07570	2.7
203.03493	1.7
204.00868	1.7
205.01459	9.0
205.04984	1.5
207.03027	4.6
209.04495	7.5
219.02994	2.7
221.04651	2.4
227.07210	3.1
229.01476	5.2
235.02470	18.2
241.08766	1.9
247.02509	2.5
249.03996	1.8
261.04123	2.2
265.03491	6.0
269.08112	2.2
271.06152	6.4
273.04123	1.8
283.06134	2.6
283.09720	1.5
313.07132	17.9
313.09912	1.6
325.03860	2.0
325.07147	8.9
339.08810	2.0
343.04630	4.0
343.08273	8.4
354.07169	1.6
355.08206	98.5
356.08511	5.6
367.08261	6.3
371.55801	1.7
373.05679	4.1
385.09262	76.0
386.09863	5.2
397.09451	4.8
415.10336	19.3
427.10458	1.8
439.09726	1.5
445.07358	1.7
457.11310	10.5
475.12595	42.4
476.12924	4.2
487.12766	5.5
505.13782	10.5
506.14130	2.3
577.15936	4.0
595.16699	100.0
596.16846	10.7
622.34344	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	595.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30413	1.1
55.01861	1.6
57.03434	3.0
59.01377	44.3
61.52145	0.9
61.98832	55.6
69.33694	9.6
71.01379	26.6
72.99307	13.7
73.02946	9.2
75.00867	4.6
83.01380	5.6
85.02956	10.6
87.00863	4.7
88.98794	4.3
89.02450	13.7
91.00363	1.3
93.03468	13.1
95.01382	3.3
96.95998	3.0
96.96953	1.2
97.02937	1.7
99.00855	4.8
101.01802	1.9
101.02439	23.4
103.00373	1.3
103.05491	1.1
108.02115	1.1
109.02970	6.1
110.25451	1.0
111.00935	1.1
112.98804	1.4
113.02441	13.1
115.03978	1.0
117.03458	10.8
118.10065	1.1
118.42254	1.0
119.03481	4.1
119.04993	3.9
121.03001	2.5
123.04499	1.7
125.02460	6.8
129.01938	1.5
133.02972	2.2
135.04486	3.5
137.02419	1.3
143.03435	2.4
145.02936	2.0
149.02399	1.7
150.11539	1.2
151.00386	2.6
151.03995	3.9
159.03018	1.1
159.04420	1.4
161.02400	3.4
161.04506	4.3
163.03978	1.8
163.06090	4.1
173.04573	2.5
175.04060	1.2
177.01898	4.3
181.09959	1.3
187.04071	1.8
189.01915	1.5
189.05498	1.5
190.02745	1.5
191.03471	3.1
197.11794	3.9
205.05099	2.3
205.07106	2.0
217.04988	1.8
219.02924	3.7
248.95108	1.1
249.03973	1.9
253.04996	1.6
269.04486	1.5
281.04437	3.0
283.06165	9.5
287.05487	1.4
289.07050	2.2
293.04446	4.1
294.05191	2.1
295.06100	6.5
301.07156	1.4
307.06091	10.3
308.06714	3.6
309.07675	19.2
311.05640	13.4
313.06915	2.9
321.07568	3.0
323.05667	2.1
325.07010	1.5
337.07159	47.3
338.07486	2.3
341.06497	5.0
345.22916	7.4
349.07202	8.8
367.08170	29.6
368.08551	1.8
383.07462	2.3
387.08902	3.0
388.09540	2.5
389.21866	7.9
403.11789	3.9
415.09241	1.7
429.09683	1.2
431.11224	20.2
433.09283	5.6
457.11292	9.8
458.11899	1.6
463.11755	1.4
475.10272	21.9
487.09848	1.5
492.48965	1.4
505.11346	6.4
509.29901	2.3
533.13025	2.0
535.27313	63.4
536.28308	3.5
551.15497	4.8
551.30737	8.1
553.29016	2.3
577.13770	3.8
595.14539	100.0
595.28778	18.3
596.14935	8.6
596.29913	1.6
602.87836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39977	0.8
56.42421	0.7
58.21135	0.7
61.98830	100.0
70.11221	0.7
71.43709	1.4
97.63063	0.7
119.81384	0.8
150.83519	0.7
152.10901	0.8
225.27359	0.8
257.98468	0.7
281.24933	0.9
401.30347	0.9
444.98523	1.0
505.65289	0.8
565.95947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30413	1.1
55.01861	1.6
57.03434	3.0
59.01377	44.3
61.52145	0.9
61.98832	55.6
69.33694	9.6
71.01379	26.6
72.99307	13.7
73.02946	9.2
75.00867	4.6
83.01380	5.6
85.02956	10.6
87.00863	4.7
88.98794	4.3
89.02450	13.7
91.00363	1.3
93.03468	13.1
95.01382	3.3
96.95998	3.0
96.96953	1.2
97.02937	1.7
99.00855	4.8
101.01802	1.9
101.02439	23.4
103.00373	1.3
103.05491	1.1
108.02115	1.1
109.02970	6.1
110.25451	1.0
111.00935	1.1
112.98804	1.4
113.02441	13.1
115.03978	1.0
117.03458	10.8
118.10065	1.1
118.42254	1.0
119.03481	4.1
119.04993	3.9
121.03001	2.5
123.04499	1.7
125.02460	6.8
129.01938	1.5
133.02972	2.2
135.04486	3.5
137.02419	1.3
143.03435	2.4
145.02936	2.0
149.02399	1.7
150.11539	1.2
151.00386	2.6
151.03995	3.9
159.03018	1.1
159.04420	1.4
161.02400	3.4
161.04506	4.3
163.03978	1.8
163.06090	4.1
173.04573	2.5
175.04060	1.2
177.01898	4.3
181.09959	1.3
187.04071	1.8
189.01915	1.5
189.05498	1.5
190.02745	1.5
191.03471	3.1
197.11794	3.9
205.05099	2.3
205.07106	2.0
217.04988	1.8
219.02924	3.7
248.95108	1.1
249.03973	1.9
253.04996	1.6
269.04486	1.5
281.04437	3.0
283.06165	9.5
287.05487	1.4
289.07050	2.2
293.04446	4.1
294.05191	2.1
295.06100	6.5
301.07156	1.4
307.06091	10.3
308.06714	3.6
309.07675	19.2
311.05640	13.4
313.06915	2.9
321.07568	3.0
323.05667	2.1
325.07010	1.5
337.07159	47.3
338.07486	2.3
341.06497	5.0
345.22916	7.4
349.07202	8.8
367.08170	29.6
368.08551	1.8
383.07462	2.3
387.08902	3.0
388.09540	2.5
389.21866	7.9
403.11789	3.9
415.09241	1.7
429.09683	1.2
431.11224	20.2
433.09283	5.6
457.11292	9.8
458.11899	1.6
463.11755	1.4
475.10272	21.9
487.09848	1.5
492.48965	1.4
505.11346	6.4
509.29901	2.3
533.13025	2.0
535.27313	63.4
536.28308	3.5
551.15497	4.8
551.30737	8.1
553.29016	2.3
577.13770	3.8
595.14539	100.0
595.28778	18.3
596.14935	8.6
596.29913	1.6
602.87836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55145	3.2
59.01382	100.0
61.98830	49.3
71.01384	21.4
71.99039	3.2
73.02946	7.0
78.95910	5.2
83.01384	8.4
83.28633	3.5
85.02950	14.7
85.41744	3.2
87.00896	5.7
88.98808	12.7
89.02443	11.0
98.19877	8.3
101.02424	8.7
103.22729	4.4
113.02464	16.9
135.04482	4.1
149.02412	4.2
161.04572	6.9
166.71213	3.6
173.04506	3.6
190.02719	7.4
205.04997	9.9
269.54529	3.8
293.04599	11.7
297.07611	10.7
325.07245	7.3
345.30090	6.8
353.06534	27.1
383.07681	10.9
413.08740	3.8
473.10916	11.0
489.34323	45.3
507.35236	28.9
533.33209	7.9
549.36334	7.3
593.15094	65.8
593.25800	15.0
594.15570	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	593.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
58.00593	4.0
59.01382	78.4
62.76536	1.4
66.01646	1.5
69.03455	1.8
71.01011	2.5
71.01387	45.9
71.52351	2.1
72.99301	6.0
73.02945	14.8
75.00862	2.5
81.03462	1.7
83.01382	7.4
85.02943	16.7
87.00865	5.8
88.76394	1.4
89.02454	27.1
95.01404	3.1
97.02929	2.2
99.00905	2.9
101.02456	41.0
103.04044	7.4
113.02448	11.8
115.04014	2.5
117.03461	11.0
117.23278	1.6
119.03483	9.6
119.04929	1.6
120.01260	3.5
125.02439	8.3
131.01363	2.7
131.03482	4.6
133.02954	2.4
143.03534	5.8
145.05022	3.0
145.23584	1.4
146.97256	1.6
159.02975	1.6
161.04556	5.1
163.04027	1.8
163.06157	24.2
173.02434	4.6
175.00354	12.6
205.07266	8.4
205.08846	1.6
225.14830	2.5
227.15585	1.5
237.05411	2.4
269.04477	4.7
278.96481	1.7
281.04651	2.8
282.05374	2.5
283.06158	6.2
293.04572	100.0
294.04874	9.1
295.05991	2.2
297.03973	4.9
297.07413	3.4
298.04907	2.7
299.05563	2.8
309.04135	9.5
310.04462	1.8
311.05646	10.9
314.04391	2.6
323.05554	3.9
325.07117	1.7
327.05011	19.4
335.05984	1.7
341.06760	2.7
353.06757	7.1
357.06339	7.9
383.07639	3.7
387.20203	9.7
413.08755	66.8
414.09250	5.4
429.08292	3.1
431.09723	8.3
447.09314	3.0
473.10995	14.1
515.24957	3.8
533.26080	47.1
534.26074	2.2
593.15106	76.7
594.15436	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
70.53334	2.0
75.00909	0.7
75.82515	0.6
78.95907	67.5
96.96969	13.9
125.51594	0.6
150.97995	0.9
152.99586	100.0
153.99945	0.8
156.72939	0.6
160.39546	0.8
171.00659	2.6
202.10223	0.8
223.00114	10.4
241.01195	27.2
259.02206	1.3
277.21725	47.2
278.22070	3.1
315.04871	18.0
333.06046	1.2
593.27319	78.9
594.27753	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	593.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.4
58.69026	1.3
59.01376	11.5
61.98832	18.5
71.01366	7.4
71.52516	2.4
72.99293	1.5
83.01402	1.7
85.02972	1.7
86.23592	1.4
87.00881	1.6
89.02417	6.6
97.06586	12.9
101.02431	6.9
104.63086	1.4
113.02432	3.6
123.08163	6.1
125.02547	1.6
125.09715	98.3
126.10036	2.4
143.10706	1.8
145.52364	1.3
161.04471	1.7
187.09737	68.0
188.10042	1.9
190.02737	3.2
200.45325	1.3
205.05069	4.2
253.09163	2.0
293.04568	3.5
297.07736	3.9
311.05804	1.7
325.07098	1.8
353.06497	8.9
383.07770	4.5
405.17719	2.4
413.08777	3.7
423.18637	15.1
431.23062	1.9
473.11185	5.1
514.55750	1.7
533.33160	2.5
593.15179	24.6
593.27997	100.0
594.28491	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99056	0.8
57.01992	0.9
59.01376	1.6
64.67272	0.9
71.50637	1.4
78.95905	77.1
96.96965	17.4
104.08118	0.8
150.97977	1.0
152.99588	64.1
172.00600	0.8
209.04489	1.0
223.00150	3.2
241.01190	34.0
242.01642	1.0
277.21707	54.5
278.22003	2.4
280.93167	0.9
285.03525	0.9
293.04654	1.2
315.04868	10.4
325.07611	1.0
353.06503	1.6
362.35327	0.9
383.07858	1.5
413.21017	7.6
456.82645	0.9
473.10867	1.3
540.19135	1.0
593.15601	5.8
593.27307	100.0
594.15308	1.3
594.27582	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	593.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01381	10.1
61.98829	14.4
65.81007	0.5
71.01379	6.4
71.52509	0.8
72.99300	1.2
73.02947	1.4
75.00876	5.4
82.94975	0.5
85.02954	2.2
87.00883	1.4
88.76071	0.5
88.98817	1.5
89.02451	2.5
91.01923	1.4
93.03460	2.3
93.34598	0.5
95.01398	0.6
96.96015	0.7
99.00885	0.8
100.09628	0.5
101.02448	2.6
107.05027	0.6
109.02991	1.5
111.04601	0.5
112.98615	0.5
113.02465	2.0
117.03456	1.2
119.01389	5.2
119.03510	1.3
119.05011	0.6
121.02974	3.6
125.02484	1.3
133.02966	1.5
134.03728	1.6
135.04509	3.1
137.02490	0.8
137.09665	0.6
137.75838	0.5
147.00868	5.7
147.04533	1.3
149.02428	18.2
150.03188	1.3
151.03995	1.2
152.01158	1.8
152.51199	0.7
161.02473	1.0
162.03249	0.7
163.04018	3.8
163.11418	0.6
164.04796	19.0
165.01950	1.6
165.05460	1.0
167.03465	0.7
169.05086	1.0
175.00363	30.3
176.00970	1.0
177.01947	1.5
179.05716	0.5
179.07146	2.4
181.05000	0.7
189.01973	1.2
190.02722	81.7
191.03317	3.6
192.04276	0.5
205.05057	72.7
206.05467	2.3
207.02840	0.7
207.06554	0.8
208.03746	0.7
209.04588	2.4
221.07993	0.6
223.06110	18.2
224.06535	0.7
236.94855	0.5
237.07780	0.7
239.12521	0.5
265.07147	1.6
284.03275	0.8
293.04559	2.1
297.04358	0.8
297.07700	2.1
299.05481	0.6
311.05673	1.1
323.05521	0.9
327.05127	2.2
328.05768	0.7
353.06714	4.5
383.07639	2.0
413.08810	1.5
473.10947	1.8
563.21252	1.3
578.23456	1.7
593.15344	10.4
593.25885	100.0
594.16876	0.6
594.26007	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	593.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25246	0.3
55.01877	0.3
58.00596	0.3
59.01385	6.0
61.98840	1.5
65.00337	0.4
65.49840	0.3
71.01385	3.2
72.99323	0.6
73.02949	0.5
73.25980	0.3
80.30986	0.3
83.01365	0.4
85.02949	1.6
87.00902	0.6
89.02463	1.3
91.01894	1.6
93.03464	1.4
95.01419	0.4
99.00922	0.3
101.02466	1.2
107.05009	0.4
108.58634	0.3
113.02448	1.6
117.03477	0.4
119.01385	5.4
119.05080	0.5
121.02946	2.4
124.44799	0.4
134.03754	1.3
135.04543	2.3
137.02470	0.4
147.00903	6.3
147.04501	0.4
149.02449	8.8
150.03227	0.7
151.04033	0.5
152.01164	1.3
161.02446	0.7
162.03258	0.7
163.04045	2.8
164.04800	7.1
165.01936	1.3
165.05602	0.4
167.03616	0.4
175.00372	29.3
176.00864	0.8
177.01990	0.6
177.47684	0.3
179.07146	1.4
189.01875	0.5
189.12834	1.4
190.02727	76.9
191.03169	3.1
192.04305	0.6
193.01367	0.4
205.05064	72.7
206.05411	2.6
207.02998	0.8
207.06665	0.5
208.03780	1.2
209.04482	1.8
221.08173	0.4
223.06123	10.2
229.78751	0.3
251.05635	0.6
265.07156	1.2
285.04175	0.6
293.04697	0.5
298.10541	0.3
325.09036	0.4
332.93494	0.3
338.61374	0.4
351.85358	0.3
353.06665	0.7
415.08215	0.5
432.37241	0.4
449.27554	0.4
473.11957	0.8
503.13437	0.7
563.21655	0.8
578.23749	1.7
593.26001	100.0
594.17255	0.3
594.26288	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	593.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65859	0.7
52.17617	0.6
55.28772	0.7
57.03442	3.3
58.86901	0.7
59.01109	1.2
59.01382	12.7
67.01894	1.2
69.03428	1.3
70.98411	1.0
70.98762	1.5
71.01389	16.3
72.99309	2.5
75.00872	11.5
80.90285	0.8
83.01395	1.1
85.02956	16.0
87.00889	5.5
89.02447	4.7
91.04015	0.8
93.03457	1.2
93.77147	0.7
95.01395	4.1
96.95976	0.8
99.00883	7.7
101.02470	0.9
103.00364	1.9
109.02916	1.4
111.00886	5.3
113.02453	24.5
115.00387	1.2
117.01936	1.3
117.03465	3.0
119.05037	25.0
123.00871	2.3
123.04473	1.2
125.02454	8.4
129.01987	1.6
133.02898	0.8
137.02440	4.4
139.00395	5.3
141.01987	1.0
145.02960	16.5
149.02409	1.4
151.03984	1.1
153.01932	2.3
157.01445	0.8
161.02429	3.1
163.04022	25.4
175.02470	1.7
175.03915	1.0
177.01921	2.4
191.03484	1.5
203.03516	1.6
207.04971	0.8
219.06464	1.3
237.07718	4.6
243.02856	0.8
246.24474	0.8
249.03889	1.6
249.06169	13.8
257.04449	0.7
267.07208	71.5
268.07571	2.4
269.04764	0.9
287.05646	1.7
305.06665	3.2
306.07056	0.9
413.10895	100.0
414.11203	5.5
441.08209	8.4
452.76126	1.0
467.10071	1.3
471.98798	0.8
593.17365	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	593.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78970	1.3
59.01377	10.7
61.97451	1.2
61.98533	2.0
61.98832	24.6
65.00331	1.7
65.12897	1.1
68.99577	2.7
69.33436	5.6
69.33868	5.4
71.01380	8.8
72.99306	3.4
73.02968	2.4
74.02492	1.8
75.00883	2.4
83.01366	1.9
85.02952	3.2
87.00870	1.6
88.98822	2.1
89.02443	4.0
90.07822	1.1
93.03461	3.3
99.00929	1.5
101.02425	2.5
108.02172	3.5
109.02949	2.2
112.98589	1.6
113.02434	4.8
117.03458	11.3
119.01331	2.1
119.05027	1.6
119.38843	1.3
121.02938	3.2
123.04530	2.0
125.02459	1.9
131.05080	1.1
134.03748	17.0
135.03044	1.3
135.04498	6.5
137.02422	1.7
145.03065	2.3
147.00891	2.4
147.04532	2.7
149.02446	9.8
149.06047	6.0
158.93094	1.1
161.02437	6.5
163.04045	2.0
164.04741	3.7
165.01880	1.5
165.05530	1.2
173.02385	3.3
173.04620	1.7
175.00365	13.5
175.03951	8.5
177.01979	5.1
187.03886	1.3
189.01981	3.6
190.02727	35.3
191.03403	4.4
203.03447	3.5
205.01474	2.3
205.05055	36.9
206.05420	1.5
209.04459	2.0
223.05989	9.7
249.05507	1.2
251.07161	2.2
267.06827	1.5
269.04535	3.0
279.06592	1.3
281.04526	4.8
282.05344	1.5
283.06171	5.7
285.04114	2.4
293.04550	8.2
294.05298	5.2
295.06079	20.5
296.06808	2.2
297.07657	6.4
305.04318	1.5
307.06140	17.2
308.06738	2.4
309.04321	2.1
309.07602	10.5
311.05566	4.4
321.07675	3.0
323.05600	45.5
324.05981	2.3
325.07080	2.7
326.04422	1.5
328.05423	1.6
335.05524	9.2
337.07138	24.2
349.06937	4.5
353.06641	29.9
354.07135	3.0
365.06604	3.0
367.07852	8.2
383.07513	6.1
413.08682	1.7
431.10266	2.2
443.09949	4.5
473.12421	46.2
474.12741	2.6
485.12146	1.3
503.13403	17.0
533.14319	1.9
533.33221	2.0
575.15405	3.8
593.16278	100.0
593.26050	37.4
594.17493	8.0
594.31848	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20675	0.5
59.01380	6.0
61.98830	1.7
63.02406	0.6
65.00319	1.4
68.90427	0.6
69.90479	1.8
69.90897	1.5
71.01390	4.0
73.02937	1.4
83.01399	1.5
85.02960	1.7
89.02472	2.2
90.24717	0.6
93.03470	2.4
100.42103	0.6
101.02460	4.0
107.01408	2.3
109.02969	1.7
113.02480	1.9
117.03470	1.5
119.03497	0.7
125.02455	0.8
130.04117	0.6
135.00896	1.6
135.04526	0.7
137.02522	0.8
143.05040	0.8
143.77736	0.6
145.03053	0.9
151.00398	3.0
157.06563	1.0
159.04474	1.1
161.02420	0.9
161.04550	1.4
163.00357	2.2
169.06589	0.9
171.04553	1.4
175.00398	0.7
175.04022	0.7
183.04483	0.9
185.06131	3.2
187.03944	3.6
189.05588	0.9
191.03494	0.6
197.06102	1.6
199.04068	1.2
211.04018	2.7
213.05687	2.8
215.03641	0.7
227.03513	33.6
228.03984	1.1
229.05060	12.5
230.05402	0.7
239.03468	2.4
241.05043	1.1
243.02818	0.6
255.02998	59.2
256.03607	6.7
257.04517	7.7
267.03033	1.8
282.05402	0.8
283.06064	0.6
284.03278	67.3
285.04047	96.8
286.04367	4.1
293.04669	5.0
297.07700	1.0
311.05533	1.0
325.06976	0.9
327.05014	1.5
337.07358	0.9
353.06824	2.2
371.20602	1.4
383.07712	1.6
395.07867	0.8
413.08817	2.5
473.10446	1.0
533.26208	6.5
593.15112	100.0
594.15448	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	593.151
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
55.01892	0.6
59.01380	21.3
64.27995	0.5
71.01383	8.5
71.18108	0.5
71.28759	1.0
72.99315	0.8
79.97625	0.6
85.02954	2.1
86.92710	0.5
89.02451	6.0
95.31509	0.6
101.02450	4.3
113.02454	1.6
116.15586	0.5
117.03465	9.7
119.03500	2.3
126.34280	0.5
131.01393	2.0
161.02353	0.8
162.92415	0.6
163.04010	0.9
165.17636	0.5
173.02448	5.0
175.00348	10.3
182.48723	0.6
209.38565	0.5
221.06210	0.7
237.05606	0.6
249.05536	0.8
251.03169	0.6
265.05118	0.6
269.04492	2.1
281.04550	1.9
282.05249	0.9
283.06046	2.6
293.04565	100.0
294.04913	6.8
295.06012	1.1
311.05560	6.4
314.04382	0.9
323.05576	2.3
335.05695	1.6
341.06693	1.7
353.06680	0.8
369.12433	0.6
383.70029	0.6
413.08771	66.8
414.09012	4.9
456.18823	0.6
473.10892	2.5
593.15125	34.5
594.15289	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	593.151
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
66.05517	0.5
69.45801	4.8
69.46140	0.8
69.76967	0.6
71.01406	0.7
79.92915	0.6
93.03429	1.1
117.03454	3.2
133.73161	0.6
135.04512	2.2
161.02414	1.9
163.04010	0.9
166.25012	0.6
172.44926	0.7
175.03975	0.9
179.03546	0.8
191.03473	1.1
203.03508	0.8
205.04858	0.7
217.05084	0.7
221.04712	0.7
282.05264	1.8
283.06137	2.0
295.05933	2.5
296.06860	3.0
297.07663	16.1
307.06006	1.2
309.07687	1.7
309.18982	0.6
311.05502	3.3
323.05612	2.2
324.05997	1.3
325.07193	9.1
328.05804	2.4
335.05563	1.7
337.07144	3.1
341.06769	1.2
353.06644	47.7
354.07001	2.5
355.08060	1.9
356.05438	0.9
365.06525	5.7
367.08167	0.8
377.07034	0.7
383.07709	25.3
384.08023	1.9
395.07733	4.7
413.08807	2.8
425.08746	1.3
473.10959	16.4
474.11029	1.2
503.11505	3.4
593.15082	100.0
594.15430	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92083	0.4
58.00586	0.6
58.02944	0.4
59.01375	13.0
60.99284	0.6
61.98827	3.5
69.67113	0.9
69.67475	2.7
70.66357	0.4
71.01376	5.3
72.99315	1.0
73.02936	0.6
73.04801	0.4
83.01392	0.7
85.02940	1.9
87.00843	0.5
88.98803	4.3
89.02443	3.9
89.33131	0.4
92.75898	0.5
93.03439	1.1
95.01369	1.0
96.96003	0.5
101.02446	2.9
105.90981	0.5
108.74111	0.5
109.02953	0.9
111.00841	0.6
112.35229	0.5
113.02418	2.1
117.03454	11.8
119.03488	1.4
119.04982	1.0
121.02934	0.9
125.02416	1.8
128.03523	1.5
131.01352	0.9
133.21083	0.5
135.04471	0.8
137.02463	0.5
138.24246	0.5
139.00401	0.5
143.04613	1.2
149.02457	1.1
151.04074	0.8
159.04491	0.9
161.02417	3.1
163.00372	0.5
163.03996	2.4
173.02412	4.9
175.00365	8.1
177.01909	1.4
185.02469	0.5
190.02759	1.2
191.03430	0.8
193.06538	0.5
205.05119	0.7
225.05655	0.5
237.05473	0.9
249.05643	1.1
253.05020	0.5
255.03044	0.7
265.05090	0.4
269.04535	3.4
281.04517	2.8
282.05200	2.1
283.02994	0.8
283.06143	9.4
284.03323	3.5
284.06265	0.8
285.04105	0.5
293.04550	100.0
294.04861	5.1
295.06076	1.0
297.07629	1.7
299.05588	6.6
306.07614	1.7
307.07959	0.9
309.04282	0.6
311.05594	20.0
312.05991	1.1
314.04279	2.2
323.05588	1.5
335.05515	1.8
341.06729	2.4
353.06696	3.1
357.87891	0.5
383.07761	1.8
413.08765	44.2
414.09024	3.3
441.08087	1.0
473.10852	7.2
487.09665	0.5
533.26373	0.6
575.14288	0.7
593.15088	38.0
593.26807	2.3
594.15424	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62055	0.5
61.98831	100.0
71.50994	1.3
171.28278	0.6
173.53276	0.6
353.06674	1.0
390.30255	0.8
593.15302	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87639	0.2
59.01374	0.3
60.28202	0.2
61.98829	100.0
70.38166	0.5
70.38551	0.5
71.19720	0.2
80.61565	0.2
80.96546	0.2
83.12623	0.2
142.45422	0.2
143.10840	0.3
180.48311	0.2
212.30295	0.3
254.59932	0.2
324.14456	0.2
325.84271	0.2
353.06708	0.4
439.29108	0.2
592.25281	0.2
593.15240	0.9
593.26874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98831	0.3
70.18793	0.2
70.42123	0.6
77.03972	0.5
91.01929	0.3
93.03472	0.2
98.20551	0.3
115.76389	0.2
119.86065	0.2
120.02119	1.1
121.02953	100.0
122.03276	1.7
136.01653	0.4
165.01921	4.2
168.55254	0.2
180.05794	0.6
181.06573	2.4
197.06047	2.0
199.07602	0.3
207.04478	0.6
207.08147	0.2
209.04536	58.4
210.04872	1.2
212.78223	0.2
223.04070	0.3
225.05531	1.9
248.71696	0.2
251.07187	0.3
257.09760	0.5
295.06009	0.2
296.88531	0.2
313.07108	1.9
329.08084	0.2
357.06152	1.3
373.62418	0.2
383.07809	1.4
401.08978	0.3
417.09732	1.3
505.11362	3.3
549.10352	6.6
550.10822	0.7
593.13037	9.3
594.13336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28851	0.8
71.50864	0.6
86.51048	0.6
94.75940	0.7
106.06653	1.1
150.85588	0.6
152.31967	0.6
443.22379	1.8
445.20056	1.2
459.21924	1.7
471.20493	1.0
471.26004	2.3
472.23157	1.7
473.23288	1.3
482.21045	1.2
485.19629	3.0
487.25708	3.0
497.23389	3.8
499.20758	3.5
500.22168	12.8
501.22327	1.2
513.23218	0.8
514.23804	1.1
515.24512	100.0
516.24713	10.5
547.28210	0.9
559.23535	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.5
59.01381	100.0
59.14405	4.5
61.98825	56.6
70.64611	11.4
71.01387	28.8
72.99322	6.8
73.02946	6.7
85.02943	18.6
87.00854	5.3
89.02435	8.2
101.02414	17.3
113.02431	17.9
149.02388	8.5
161.04536	8.4
164.04710	5.2
175.00299	7.5
190.02728	30.6
205.05109	26.5
223.06111	14.9
229.55067	4.0
235.61790	4.6
265.07458	4.1
327.05020	11.3
487.32791	41.1
505.33701	15.3
542.57953	3.9
591.23523	21.8
592.25195	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	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.57934	0.7
69.58342	1.7
72.61103	0.4
88.71821	0.4
106.06661	0.5
136.96422	0.4
194.04182	0.4
198.18669	0.4
204.08539	0.4
223.08472	0.4
228.63680	0.3
430.21811	0.5
443.22443	1.6
444.18774	0.7
445.20282	1.5
455.22699	0.7
456.23386	0.7
457.20465	0.8
458.21146	0.9
459.21808	2.1
466.17920	0.4
471.21332	1.8
471.25821	2.1
472.17950	0.5
472.22916	1.4
473.23425	1.6
481.20236	0.6
482.21429	2.0
485.19702	2.1
487.25620	3.4
488.22537	0.6
489.22647	0.7
497.23721	3.6
499.21362	4.0
500.22162	13.0
501.22437	1.1
503.20865	0.5
504.21411	0.6
513.22858	0.6
514.23828	0.7
515.24506	100.0
516.24835	10.0
518.23389	0.8
559.23486	3.9
560.23822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90253	0.5
57.03424	0.5
59.01109	0.9
59.01380	10.8
61.98829	3.6
63.99541	0.4
69.36458	3.5
71.01381	6.9
72.99313	0.8
73.02937	0.9
83.01366	0.8
83.05024	4.2
85.02954	1.8
87.00847	0.5
89.02443	2.9
91.01917	1.4
93.03450	0.6
95.01385	0.6
101.02476	2.7
107.05061	0.7
113.02457	3.1
119.01369	2.8
119.03445	0.7
121.02943	2.6
121.06552	0.9
123.04490	0.5
134.03752	1.6
135.04518	3.4
147.00864	2.2
147.04539	1.1
149.02438	23.3
152.01100	0.8
161.02379	0.7
162.03247	1.1
163.04001	7.7
164.04793	27.2
165.01860	0.9
165.05470	1.7
166.02689	0.7
169.04996	0.8
173.02464	0.8
175.00356	19.6
177.02026	0.7
177.05560	2.6
178.06331	1.7
179.03517	0.7
179.07118	7.9
181.05087	0.5
188.04768	1.2
189.01900	1.0
190.02711	52.4
191.03462	8.5
192.04198	0.9
193.01491	2.4
193.05193	0.6
193.08684	0.5
201.11183	0.5
203.07108	5.4
204.04265	0.6
205.05046	39.1
206.05812	20.2
207.02965	4.8
207.06438	1.6
208.03784	7.4
209.04417	0.9
221.08194	22.4
222.05270	1.4
223.06105	56.3
224.06432	1.7
232.03809	1.2
235.02492	1.6
237.07672	9.3
247.06111	3.6
250.04832	7.4
251.05406	0.8
265.07156	100.0
266.07452	4.4
277.07141	0.7
289.07047	0.7
295.08206	42.3
296.08505	1.7
325.09271	49.2
326.09589	2.6
367.10010	1.1
385.11365	16.2
386.11804	1.0
591.23718	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	591.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26283	1.0
57.03444	1.8
59.01105	1.9
59.01379	23.6
61.98829	16.0
69.03486	1.3
71.01390	12.5
71.52275	1.8
72.99310	3.2
73.02939	3.8
75.00882	1.3
83.01372	1.9
83.05028	4.6
85.02943	6.8
87.00875	2.6
88.98794	1.7
89.02470	6.8
91.01888	2.4
93.03461	1.4
95.01365	1.7
101.02446	9.8
107.05022	1.5
107.98742	1.4
109.02979	2.0
113.02436	5.3
118.38349	1.3
119.01373	5.1
119.03487	1.3
119.04961	1.9
121.02940	4.0
123.04497	1.1
125.02444	1.2
131.03583	1.5
134.03725	1.8
135.04568	5.6
136.12996	1.5
142.72449	1.1
143.03564	1.4
147.00865	4.2
149.02451	28.6
152.01190	2.2
161.02425	4.7
161.04582	1.3
161.05991	1.2
163.03998	8.9
163.06122	5.2
163.11310	2.5
164.04793	28.7
165.01863	1.5
165.05469	2.1
166.02797	2.4
169.09775	1.5
170.95996	1.2
171.10213	2.5
173.02379	1.4
175.00371	27.7
176.01085	1.4
177.05531	2.9
178.06425	1.7
179.03406	1.4
179.07108	9.3
179.10791	2.3
190.02718	66.4
191.03467	10.2
192.04195	1.7
193.01453	1.9
201.11406	1.2
203.07083	5.1
205.05058	53.8
205.07024	2.5
205.12218	2.9
206.05798	19.0
207.02968	4.2
207.06404	2.0
208.03737	9.6
217.88527	1.2
221.08191	22.8
222.05400	1.7
223.06108	59.8
224.06453	1.7
232.03752	1.5
235.02400	1.8
237.07669	9.7
247.06114	2.5
250.04774	6.7
265.07159	100.0
266.07526	5.1
285.03937	3.7
289.07294	1.5
290.23068	1.1
295.08203	45.6
296.08560	1.8
325.05450	2.7
325.09268	50.8
326.09735	3.0
367.10248	6.9
385.11386	19.7
427.12323	1.9
479.00882	1.3
500.72211	1.4
510.12662	3.5
530.66144	1.2
531.32111	1.9
535.45728	1.4
547.21759	2.1
573.23279	3.9
591.23596	10.4
592.25146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17346	3.5
59.01384	40.1
62.09228	3.6
69.79119	7.3
69.79527	16.5
87.00874	18.6
87.04521	63.2
90.11806	4.4
103.00375	26.7
112.98819	40.9
115.79618	4.5
125.74321	3.9
130.99889	5.5
132.10970	4.1
135.04514	9.3
142.25838	4.2
173.04565	30.7
176.61037	4.2
219.03047	6.7
219.05106	100.0
252.23654	4.8
295.10333	5.3
319.84848	4.8
331.55716	4.2
371.09964	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	591.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72621	0.9
57.03446	2.6
59.01384	13.5
63.07702	0.9
65.27323	0.8
68.99812	1.1
69.03428	1.1
70.52874	2.9
71.01006	1.7
71.01380	21.6
72.99297	3.6
73.02975	1.3
75.00871	13.3
85.02953	22.4
87.00877	10.3
89.02431	7.4
91.04001	0.8
92.62377	0.8
93.03456	1.4
95.01379	5.0
99.00887	10.1
103.00355	2.8
107.05033	1.8
109.02944	1.9
111.00859	1.7
113.02449	39.2
115.00346	1.3
117.01930	2.4
119.05018	3.7
125.02438	3.6
129.01912	2.6
132.02213	0.8
133.02937	3.8
135.04530	28.9
137.02449	1.8
139.00406	1.0
141.02031	1.0
147.04533	1.0
149.02438	1.0
157.01401	1.7
161.02448	20.9
161.54126	0.9
162.02811	1.9
163.04001	2.7
174.03288	1.0
175.02466	2.5
175.03958	1.8
179.03448	5.5
202.87032	0.8
205.07138	1.3
207.05151	2.0
227.03654	1.1
237.09344	1.0
243.03149	1.0
249.06149	10.9
259.02371	2.1
267.07205	100.0
268.07446	2.7
283.09818	1.6
303.05054	1.1
327.08707	8.2
411.09332	7.6
429.10388	18.6
430.10751	1.2
471.11469	1.3
591.15601	72.5
592.15735	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1511
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
57.03487	2.3
59.01378	6.7
61.98832	6.0
69.03506	1.5
70.15128	1.9
71.01380	4.1
71.05040	0.8
72.99303	0.5
73.02982	1.3
75.00901	0.7
80.02721	0.5
81.03449	3.2
83.01385	5.9
85.02990	1.0
87.00919	0.9
89.02460	2.4
93.03466	2.5
95.01443	1.5
95.05033	2.9
96.96040	0.8
97.02950	6.6
98.12745	0.5
99.04553	0.7
101.02501	1.8
105.03530	1.5
107.05032	1.1
108.02210	1.7
109.02952	36.0
111.04536	0.7
113.02481	1.2
119.05048	0.7
121.02953	5.7
122.03812	1.6
123.04523	19.7
125.02447	15.6
125.03299	1.0
133.03014	0.8
135.03084	0.9
135.03690	0.6
135.04471	2.8
137.02443	40.5
138.03090	0.9
139.04005	12.2
139.04974	0.8
145.02998	1.7
146.03821	0.9
147.04550	2.6
149.02431	26.5
150.03271	2.3
151.04002	18.7
152.04475	0.7
157.06491	0.6
159.04489	4.1
160.05347	1.6
161.02441	5.2
161.06062	5.8
162.03276	1.3
163.04007	3.1
163.06183	1.2
164.01132	3.8
164.04472	0.5
165.01967	3.9
167.03564	2.0
173.06117	1.5
174.03279	0.9
175.04016	3.4
175.07675	1.5
176.01102	2.9
177.01936	3.9
177.05658	0.9
178.02731	2.8
179.03510	7.8
184.05255	0.6
185.06119	1.1
185.98349	0.6
187.03996	4.7
188.04803	3.8
191.03470	5.4
192.04355	1.0
197.06100	2.2
199.07657	0.6
201.05647	1.1
202.06381	2.0
203.03557	1.9
203.07126	13.5
205.05038	8.8
212.04762	0.8
213.05577	6.6
215.07120	29.3
216.07579	1.0
217.08545	0.6
221.08189	2.7
227.07181	2.0
229.05109	0.8
230.06015	0.7
231.02959	0.8
239.07082	1.0
245.08173	18.4
247.06161	1.1
248.18216	0.5
249.03406	0.6
255.06599	1.0
257.08188	7.5
258.08441	0.8
271.06177	1.2
283.05984	1.0
289.07175	100.0
290.07471	4.7
300.02832	0.6
301.07156	81.0
302.07520	3.7
323.18851	0.6
387.23999	1.1
439.10315	20.8
440.10471	1.4
487.29028	1.0
531.31830	0.8
547.15765	1.0
591.15051	14.1
592.15076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1509
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
50.64080	0.9
57.03434	1.2
57.19475	0.9
59.01367	3.2
69.03461	1.1
69.17142	2.8
69.17566	8.1
71.01376	2.2
71.05027	1.1
73.02935	1.3
81.03455	2.7
83.01385	5.7
85.02969	2.3
87.22460	1.0
93.03423	2.6
95.01393	1.4
95.05009	3.0
97.02940	6.7
100.66068	1.0
101.02457	1.8
101.06107	1.0
105.03450	1.5
107.05041	1.3
108.02152	1.7
109.02951	37.5
109.03700	1.8
121.03007	4.7
122.03678	1.8
123.04522	19.0
125.02441	13.5
133.02983	1.6
135.02968	2.0
135.04509	3.7
137.02449	35.8
138.15880	0.9
139.04002	12.7
147.04514	2.5
149.01283	1.7
149.02434	27.0
151.02870	1.7
151.04010	18.4
159.04471	2.9
161.02487	4.7
161.06056	5.4
162.03204	1.4
163.04076	2.5
164.01167	2.8
165.01927	3.9
167.03468	3.2
173.06062	1.1
174.03174	1.3
175.03983	3.0
175.07649	1.8
176.01123	2.3
177.01866	2.7
178.02658	2.8
179.03453	8.6
185.06021	1.6
187.04044	5.3
188.04742	3.8
191.03459	5.8
197.06070	1.6
202.06358	1.8
203.07130	12.0
205.05052	9.0
210.78987	1.0
213.05618	6.2
215.07124	27.8
216.07564	1.2
217.05119	1.1
221.08174	1.9
227.07224	2.1
245.08176	21.3
247.06046	1.3
252.62862	1.1
255.06847	1.4
257.08197	8.5
271.06009	1.7
278.09253	1.0
283.06119	1.4
285.04053	1.2
289.07175	100.0
290.07367	5.2
293.04593	1.1
301.07156	81.2
302.07544	3.5
327.05154	2.2
439.10300	21.6
440.10556	1.5
447.09479	2.4
547.16028	1.4
580.34869	1.2
591.14886	13.8
592.14978	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	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78837	0.4
59.01381	0.7
61.98830	100.0
71.01395	0.5
71.52535	0.4
74.25089	0.4
74.59451	0.5
86.01501	0.4
96.95983	0.5
97.70817	0.5
115.32814	0.5
143.10774	0.8
156.23334	0.4
159.78238	0.5
281.02054	0.5
613.42944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
61.98834	1.4
62.02649	0.6
72.99321	2.9
75.00873	100.0
87.00889	1.3
95.69335	0.6
103.00356	1.7
127.77454	0.6
229.33917	0.7
237.48650	0.7
260.48813	0.8
329.07587	0.6
363.08414	0.7
550.68378	0.7
589.37524	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	589.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26291	2.1
58.00578	2.6
59.01381	100.0
61.98840	2.9
69.12595	2.2
70.46008	6.5
72.99300	9.5
87.00887	27.8
102.12922	2.2
102.99731	3.8
103.00378	61.3
112.85424	2.0
112.98811	33.2
130.99875	10.1
158.68562	2.2
165.05519	3.1
376.00165	2.7
399.32452	4.7
589.37457	60.3
590.37885	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	589.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	3.6
59.01380	100.0
61.47063	2.1
61.98821	3.9
67.53076	1.8
69.99884	4.1
70.00277	4.6
70.99876	1.8
72.99307	11.9
73.96400	1.7
83.73684	1.6
84.99316	1.6
87.00878	25.1
97.23753	1.6
103.00373	65.9
112.98811	32.7
119.04964	3.6
123.04501	4.3
130.99837	9.9
167.03488	14.5
181.05165	2.0
191.03551	3.1
191.17229	1.8
199.69408	1.9
280.28979	2.2
288.17288	1.8
384.92941	1.9
399.32758	5.1
416.30814	1.9
457.36786	2.2
589.37402	61.8
590.37689	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	589.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97145	2.8
55.01891	3.8
57.03445	5.8
59.01385	97.9
61.98829	10.7
69.45403	2.3
70.53505	5.3
70.53875	5.7
71.01381	37.5
73.02964	18.0
78.65033	2.4
83.01425	3.4
85.02959	17.4
87.00891	5.5
89.02455	14.2
95.01414	3.0
99.00851	12.9
101.02453	24.0
109.02946	5.4
111.83333	2.7
113.02452	15.7
119.03513	2.6
123.04518	4.3
125.02441	6.7
137.02446	3.8
143.03517	2.8
161.04564	8.2
163.04091	2.5
165.03967	4.8
178.06392	4.1
193.08681	3.7
209.15450	12.9
289.07199	11.4
300.87784	2.8
352.28055	3.2
353.19644	8.2
369.13318	7.3
371.20755	14.3
376.50385	2.8
413.21881	10.1
503.25040	45.6
504.25546	3.1
545.17957	5.4
545.26056	100.0
546.26276	6.2
550.71393	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68502	0.9
59.01382	5.3
60.87128	0.7
61.98830	12.0
70.65070	1.8
71.01377	3.0
73.02964	1.3
80.02664	0.6
81.03443	1.1
83.01363	0.7
83.05023	4.1
84.02167	1.0
84.22283	0.8
85.02953	0.8
87.00879	1.2
89.02457	2.6
90.14102	0.7
95.05045	1.2
97.02960	0.6
101.02439	2.9
109.02899	1.3
113.02431	1.3
123.04526	0.8
125.02460	1.1
125.05964	0.8
137.02457	1.5
143.10777	97.7
144.11125	1.8
151.03999	0.9
161.04544	1.0
163.11275	2.3
165.01947	0.7
165.12811	2.3
191.10777	1.5
199.13391	0.8
209.11824	100.0
210.12178	4.6
227.12877	14.2
235.08263	5.5
245.08211	1.6
253.09294	10.3
289.07199	8.3
379.19675	1.5
388.22476	0.7
589.28259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06347	1.7
51.92274	1.8
57.03445	4.0
57.04991	1.6
59.01382	20.4
61.98832	28.4
71.01378	7.8
72.99309	2.9
73.02970	2.1
81.03493	2.8
83.01405	5.5
85.02949	3.1
87.00880	3.0
89.02464	4.0
93.03468	3.0
97.02957	7.2
101.02445	5.1
109.02957	25.7
113.02463	4.1
121.02940	6.3
122.03782	3.3
123.04521	17.3
125.02479	12.5
132.04553	4.9
134.03763	3.1
135.04530	3.8
137.02440	17.0
139.03992	3.8
143.03392	1.9
144.04567	8.5
145.02919	3.6
149.02437	8.4
151.04015	10.5
158.06068	2.3
159.04504	4.0
159.06912	2.9
160.89836	2.1
161.02365	2.5
161.06073	7.8
162.03227	3.9
163.03995	3.0
164.01120	2.8
165.01941	3.8
167.03439	2.6
167.06171	13.2
169.28764	1.7
171.10161	2.3
175.04083	2.6
177.01997	2.8
179.03494	5.4
179.07094	3.0
181.07741	5.1
183.09274	10.7
187.04002	6.0
188.04791	4.4
191.07233	4.6
203.07121	21.3
205.05020	14.7
220.48640	2.2
221.08189	3.4
227.07060	2.8
231.22147	1.8
245.08003	14.1
247.06145	3.8
289.07193	100.0
290.07446	5.1
299.13794	5.7
329.46674	1.7
343.11890	59.8
344.12064	2.0
353.23251	3.5
369.13489	10.2
371.24277	2.6
385.25867	2.4
387.14151	2.7
393.18161	11.0
402.44797	1.9
406.03470	2.1
437.17200	10.5
447.61246	2.1
527.21948	5.3
529.30182	9.0
545.22858	20.2
547.31287	5.1
562.09448	2.2
589.21893	15.3
589.31976	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	589.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01393	4.5
60.68275	0.7
61.98587	0.7
61.98833	7.7
69.03439	1.1
71.01390	1.8
72.00887	1.6
72.99281	0.7
73.02937	1.0
74.02470	2.5
80.91657	0.7
81.03460	1.5
83.01384	4.5
85.02959	1.2
86.02480	6.2
92.05052	3.4
93.03504	1.4
95.01404	1.1
95.05014	2.3
96.95998	0.9
97.02950	5.9
107.05042	0.9
108.02165	0.9
109.02952	19.6
110.03357	0.7
117.03465	0.7
118.02962	0.9
119.05058	1.1
120.04543	1.0
121.02959	4.7
122.03707	1.5
123.03631	0.8
123.04528	14.1
125.02439	9.4
127.35252	0.7
130.06641	0.9
131.03763	3.2
132.04561	29.4
133.02956	0.9
134.03703	2.2
135.04507	1.9
136.38533	0.7
137.01454	1.2
137.02444	15.6
138.02866	0.9
139.03979	2.3
144.04552	8.6
145.02913	1.3
147.04520	1.0
149.02448	4.9
149.06126	0.7
151.04019	9.6
152.01189	0.6
157.07687	8.0
157.08833	0.9
158.06104	2.1
159.04507	2.6
160.05177	1.3
161.02414	2.4
161.06073	4.6
162.03175	1.3
163.04019	5.5
164.01126	1.8
165.01924	4.5
167.03435	1.3
173.06042	0.9
175.03973	2.6
175.07559	1.2
177.05518	0.9
179.03471	3.0
181.20811	0.8
185.06085	1.3
187.03938	3.7
188.04797	2.2
193.05052	3.0
201.06798	0.9
202.06331	1.2
203.03534	0.8
203.07146	10.2
205.05055	8.2
205.08681	1.6
207.10326	2.1
211.60701	0.8
217.05188	0.8
217.08664	3.9
219.07741	11.9
219.09895	0.6
221.08153	1.0
227.07169	2.0
229.08569	0.8
230.05789	1.0
231.03000	1.3
245.08165	11.6
247.06102	3.5
247.09795	0.9
256.15900	0.8
289.07181	100.0
290.07639	4.5
299.14014	23.6
300.14392	1.0
315.08701	11.3
325.14447	2.0
369.13412	25.2
370.13846	1.6
437.17157	2.9
589.21973	9.9
589.31915	2.0
590.22583	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.2
59.01355	1.7
61.98814	5.2
71.06378	2.6
71.06736	1.5
83.05020	6.7
97.06585	11.2
99.83345	1.1
111.08160	51.7
118.69588	1.1
123.08146	5.6
125.09720	92.8
126.10055	1.8
143.10779	2.5
157.03877	1.2
160.99895	1.2
169.08759	2.3
173.08195	35.5
187.09755	62.3
188.65089	1.2
211.09988	1.3
225.11272	1.4
243.12422	2.8
247.11865	4.9
261.13382	9.8
268.99484	1.3
390.70773	1.1
417.21298	24.3
418.21866	1.6
431.22824	10.8
569.29962	2.8
587.30798	100.0
588.31244	6.4
607.67596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48492	4.3
55.63145	5.4
59.01386	35.3
59.83087	5.9
67.45949	4.3
67.90362	4.8
71.01375	7.7
71.51520	5.0
71.51929	5.5
85.02966	4.6
87.00868	28.0
96.96014	8.8
97.37943	5.6
101.06078	98.4
103.00397	24.6
112.98810	38.9
130.99899	8.9
135.04460	6.3
144.25304	4.6
170.45682	5.1
179.03503	6.2
191.05582	15.0
203.08287	8.4
233.06667	100.0
267.07108	10.3
318.20657	5.2
353.08731	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	587.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73597	2.7
59.01381	29.9
67.68960	2.6
69.73928	12.5
69.74333	5.4
82.50860	2.8
87.00869	19.8
92.51359	2.8
101.06081	100.0
103.00376	18.2
112.98817	31.0
123.10504	3.1
135.04564	3.6
151.53650	2.9
154.68254	2.8
169.12961	3.3
233.06650	96.8
327.00174	2.8
328.95078	3.1
356.00150	2.9
358.87250	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	586.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98831	100.0
63.89613	0.1
63.99271	0.3
64.79874	0.2
71.01379	0.5
71.52767	0.3
71.53178	0.2
73.10172	0.2
83.01398	0.2
88.98804	0.2
89.02462	0.3
93.03453	0.3
96.28687	0.2
101.02441	0.3
109.02974	0.4
111.00949	0.2
113.02451	0.3
122.03795	0.2
123.04566	0.3
128.03537	0.2
130.10313	0.2
135.04562	0.2
137.02481	0.8
137.09767	0.2
143.04791	0.2
149.00946	0.2
149.02397	0.2
151.03992	0.2
161.02457	0.3
163.03867	0.2
165.01965	0.7
165.05630	0.2
175.02615	0.2
175.04037	0.2
177.02007	0.5
179.03557	0.2
180.04361	0.5
188.89655	0.2
195.06657	0.5
196.06995	0.2
225.07767	0.2
250.55656	0.2
267.74716	0.2
361.16635	0.2
391.12057	0.2
418.34750	0.2
442.18100	0.2
523.22070	0.2
528.12225	0.2
539.23267	0.5
569.14978	0.3
586.22351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29741	0.1
54.25830	0.1
59.01375	0.6
61.98830	100.0
62.98539	0.1
63.99276	0.2
71.01383	0.5
71.51955	0.2
71.84520	0.1
78.86991	0.1
79.86809	0.1
85.02974	0.2
89.02463	0.2
93.03487	0.2
101.02448	0.1
109.02985	0.1
128.03581	0.2
128.51633	0.1
129.04968	0.1
137.02423	0.3
149.02495	0.1
154.08752	0.3
177.01860	0.2
223.06219	0.1
388.09283	0.2
540.63263	0.1
544.16364	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	586.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38971	0.2
54.30032	0.2
59.01361	0.3
61.98833	100.0
67.13167	0.2
69.11280	0.1
69.37267	1.4
80.25786	0.2
82.58009	0.2
87.06644	0.2
100.27555	0.2
109.02942	0.3
114.70133	0.1
280.12961	0.2
289.07251	0.9
292.87863	0.1
314.21152	0.2
396.67685	0.2
489.27991	0.2
538.22296	0.2
571.58112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68858	0.8
56.95766	0.8
58.02971	3.4
59.01385	1.8
59.72409	0.8
61.98834	44.3
63.99273	1.1
64.81017	0.8
65.57365	0.8
69.26102	8.2
71.01368	1.1
73.04075	8.0
74.02458	0.8
80.05043	0.8
82.06634	1.5
84.04560	4.0
85.02954	1.0
87.05643	13.9
97.04064	2.5
98.02480	2.3
102.05611	38.1
102.85248	1.0
105.86495	0.8
109.02985	0.9
110.02448	1.7
115.04370	1.2
115.05150	18.3
126.06732	13.5
128.03549	100.0
129.10327	4.0
130.08745	24.6
139.08748	1.0
140.07198	4.7
144.07782	11.7
146.04597	30.2
153.10318	1.7
155.08304	1.3
155.11920	4.7
168.07791	25.6
168.09183	1.6
169.06148	1.0
171.15036	6.2
182.12978	2.9
183.11382	2.5
184.82477	0.9
186.08852	14.0
197.12985	1.0
199.18169	2.2
200.14087	1.5
207.15089	2.0
208.13431	2.1
212.14063	1.0
215.13972	5.0
225.16013	3.6
238.15695	1.0
241.11891	1.6
242.18777	1.1
243.17073	1.7
252.20827	2.7
254.15121	1.0
259.12909	1.9
268.20438	1.0
270.21838	5.4
284.23407	1.6
300.15561	1.6
314.20840	2.4
328.22400	1.8
355.27045	1.4
395.23053	1.6
399.26160	5.2
413.24048	38.4
414.24329	1.9
439.25513	2.1
443.24844	1.4
457.26712	16.0
491.98993	0.9
498.29205	4.0
542.28326	76.1
543.28424	6.0
568.30029	1.7
586.30957	97.9
587.31061	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	585.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28533	0.2
61.98839	0.2
69.28942	0.3
69.29350	1.2
70.02943	0.2
89.44346	0.2
93.03426	0.8
96.00921	0.7
98.20721	0.3
117.03411	0.4
119.05027	100.0
120.05359	2.4
149.33711	0.2
163.04007	71.7
164.04350	2.2
172.11308	0.2
173.31566	0.2
180.99220	0.2
342.28342	0.2
349.96860	0.2
359.79385	0.2
396.34814	0.3
450.38306	0.2
529.95721	0.2
585.31842	0.2
585.41339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37976	0.8
59.01374	1.9
61.98832	41.2
71.01380	1.3
71.52515	1.2
93.03473	5.8
113.02449	1.1
121.02975	7.4
122.03764	13.2
123.04525	1.2
124.01634	0.8
133.02934	2.3
135.04471	1.4
136.01613	1.2
147.04541	0.9
149.02452	33.1
150.03230	94.3
151.03653	2.0
153.39182	0.9
164.04758	6.7
165.05573	100.0
165.56111	0.8
166.05873	2.8
180.04279	6.5
195.06622	60.7
196.06952	2.0
270.08844	1.6
285.11264	2.7
298.08398	1.2
299.09201	1.1
311.09094	1.1
314.07941	2.1
325.10706	1.3
327.12292	5.1
328.13104	7.7
329.10333	6.2
330.11032	1.5
341.10263	6.5
342.10425	1.2
343.15503	1.9
344.12598	7.8
356.12732	2.0
359.15018	20.8
360.15189	1.5
371.15036	15.6
372.15137	1.9
374.40643	1.0
461.16208	1.8
463.17657	1.2
492.18384	1.1
507.20328	11.3
519.20331	1.2
537.21283	47.0
538.21515	4.1
585.23334	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	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98831	100.0
64.11759	0.2
68.22573	0.2
70.98082	0.5
70.98428	0.3
124.50219	0.2
159.64389	0.2
317.62454	0.2
543.66168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.3
61.98831	100.0
63.50085	1.2
67.59047	1.3
71.52299	2.3
85.02872	1.5
89.02464	2.0
109.02975	2.8
114.43045	1.4
157.08670	1.6
157.74625	1.4
171.10336	1.8
327.28873	1.4
342.06979	1.7
354.07037	1.7
359.28036	5.4
474.13025	1.9
521.33240	35.7
522.33569	3.8
550.61346	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	584.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98832	100.0
291.98859	0.6
439.35001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57707	0.3
57.03451	0.5
59.01372	1.8
61.98829	100.0
63.99250	0.5
69.45938	2.2
70.98955	0.2
71.01392	1.3
72.99328	0.4
75.00856	0.4
83.01392	0.3
85.02969	0.8
85.46024	0.2
87.00906	0.7
88.98828	0.3
89.02447	0.7
89.16013	0.3
93.03497	0.4
99.00883	0.3
109.02975	0.5
113.02460	1.1
123.04533	0.4
125.02438	1.8
125.09765	0.5
135.04512	0.7
137.02446	0.6
149.02428	0.7
151.04033	0.7
161.02460	0.4
165.05388	0.3
173.04689	0.3
175.03880	0.4
177.02016	0.4
179.03630	0.4
187.09750	0.7
190.02684	0.5
191.05659	0.4
205.04980	0.3
245.08316	0.4
254.48428	0.3
267.07269	0.8
268.07715	0.4
289.07199	1.0
290.07468	0.5
314.92834	0.4
437.16626	0.8
524.27411	0.6
547.16583	0.3
548.17236	0.9
584.23376	0.6
585.21344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01386	1.6
61.98832	100.0
71.01388	0.8
71.52438	0.3
72.99347	0.2
73.02945	0.3
75.00880	0.3
85.02959	0.4
87.54108	0.2
89.02460	0.3
93.03478	0.3
96.96008	0.2
101.02454	0.6
109.03029	0.2
113.02464	0.3
116.92882	0.4
125.02390	0.3
128.03574	0.2
133.03041	0.2
137.02480	0.3
149.02406	0.2
150.03249	1.2
151.04004	0.3
165.05534	1.3
173.04570	0.2
195.06630	0.9
237.98514	0.2
289.07318	0.3
306.08121	0.2
353.06494	0.3
359.15115	0.3
365.30612	0.2
371.14951	0.2
383.07861	0.2
390.24524	0.2
429.86520	0.2
523.35132	0.9
524.35339	1.0
584.14178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12586	0.3
57.42775	0.3
61.98832	100.0
62.10534	0.3
66.97090	0.3
69.16862	0.9
69.17281	2.3
88.27824	0.3
98.19833	0.5
98.94107	0.3
108.17130	0.3
226.25212	0.3
227.10666	0.3
275.14828	0.4
284.25232	0.3
504.21942	0.3
548.85040	0.3
552.71368	0.4
613.42493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.6
60.01726	0.6
61.01808	0.7
61.98834	100.0
71.01408	0.4
71.52282	0.3
72.99361	0.3
73.01484	0.3
76.80049	0.4
81.56628	0.3
101.63391	0.3
125.02447	0.7
133.01437	0.4
143.41858	0.3
227.86472	0.3
317.12576	0.4
330.14215	0.6
331.14825	0.5
332.15189	0.4
342.14294	0.5
344.14917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.98831	100.0
69.20061	0.2
69.31530	0.4
69.31928	1.5
74.51984	0.2
78.95924	0.9
101.85689	0.2
115.76878	0.2
121.70760	0.2
140.28990	0.2
169.54262	0.2
179.05011	0.2
281.24750	1.8
282.25220	0.5
388.31082	0.2
506.32654	0.9
509.33600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55148	0.7
57.65486	0.8
59.01366	4.8
61.98828	100.0
71.01377	1.4
71.52737	1.4
73.02929	0.9
75.00874	1.7
83.01397	1.0
88.98830	1.6
93.03477	2.0
96.96078	0.9
98.10699	0.7
101.02429	1.8
113.02464	0.8
119.05049	0.9
121.02959	4.7
122.03715	5.0
133.02968	1.1
135.04582	3.4
136.01672	3.1
137.02432	1.6
147.04568	1.0
149.02428	9.8
150.03220	31.6
151.00363	2.4
151.04010	4.7
164.04774	2.1
165.05563	32.8
166.02704	2.9
175.04088	1.9
180.04271	2.9
181.05046	3.7
189.05629	1.2
190.06364	1.2
195.06601	18.0
329.10284	1.8
357.13568	3.4
357.67325	0.9
372.12180	1.3
387.14502	8.0
391.04663	2.7
433.20572	0.8
505.18588	1.9
523.35205	1.5
535.19672	16.3
535.67767	0.9
536.20331	1.0
583.08783	6.1
584.08289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
57.22161	1.6
58.76896	1.4
59.01377	23.1
59.56641	1.2
61.98830	67.0
63.69265	1.3
71.01374	9.7
71.52058	2.5
72.99307	12.8
73.02971	3.5
75.00851	3.6
77.49967	1.5
85.02950	5.6
87.00884	25.8
88.98814	4.5
89.02457	4.5
101.02442	6.2
102.67042	1.8
103.00356	6.8
109.02943	15.1
111.64529	1.4
113.02436	5.2
118.04746	1.6
119.05003	1.7
123.04536	9.1
125.02409	1.4
130.08699	1.6
130.99777	1.4
133.02943	3.7
134.03745	2.3
134.78777	1.5
135.04483	2.3
145.02936	3.6
147.04555	2.8
149.00917	100.0
151.03928	4.0
161.02429	5.1
163.03931	1.6
167.03412	2.5
173.00693	1.5
175.04056	1.4
177.01938	29.1
189.00331	2.2
189.01947	32.8
190.02658	9.5
191.03447	8.1
193.05124	2.5
203.03491	4.5
216.00610	4.6
217.01399	26.7
219.02980	8.0
231.03021	9.7
233.04526	2.2
242.05185	1.8
244.98511	1.7
306.49857	1.8
323.05533	6.9
341.06644	74.5
342.07104	3.5
451.10333	85.7
452.10608	6.4
523.34656	11.3
583.10687	11.7
583.19855	2.4
584.12756	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	582.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33306	0.6
59.01380	19.6
59.08454	0.6
61.98815	2.9
67.26540	0.7
78.95901	21.0
79.10523	0.6
79.95708	1.2
80.96527	3.6
94.98092	1.0
97.92404	0.6
114.89118	0.7
152.99576	3.1
168.04314	2.7
183.78775	0.7
184.45349	0.7
224.06944	8.3
242.08052	1.4
283.26428	100.0
284.26657	4.4
508.34064	68.1
509.34543	5.0
582.30267	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	582.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11857	0.2
51.37944	0.2
59.01385	0.7
61.98832	100.0
64.75016	0.2
71.01405	0.2
71.53152	0.3
75.00890	0.2
85.02998	0.3
93.03412	0.2
101.02464	0.2
101.18258	0.2
135.04518	0.2
149.02429	0.3
150.03171	0.8
151.04102	0.3
165.05586	0.9
195.06688	0.8
195.82576	0.2
214.05096	0.9
330.89322	0.2
426.61209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99465	41.4
56.96712	35.8
61.98823	100.0
70.92654	62.4
70.92980	44.8
74.25006	35.2
98.52586	34.3
104.49918	38.9
193.19637	49.8
255.84520	34.9
496.11227	43.0
530.95154	36.3
596.90942	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	581.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.3
61.98829	100.0
63.39156	1.8
69.17018	9.8
69.17448	8.7
71.01392	4.7
75.00851	2.9
83.66773	1.8
85.02941	2.5
88.98800	4.1
89.02438	3.5
93.03448	4.1
99.86654	1.7
101.02464	2.9
109.02945	4.5
113.02448	1.9
122.03698	2.3
122.82956	2.1
123.04481	9.2
149.02446	2.2
150.03188	9.7
151.03975	6.1
162.03244	2.1
164.50117	2.4
165.05568	12.0
177.01904	2.9
185.28912	2.0
195.06665	4.7
204.79164	2.0
227.07225	2.4
235.87154	2.0
269.00970	2.0
297.07898	2.7
307.06064	5.5
313.23627	3.8
323.05588	1.9
341.06680	4.9
355.08411	4.3
359.27948	45.2
360.28363	3.2
363.05060	2.6
385.12909	9.4
393.05997	6.4
393.63043	2.0
487.10318	32.8
488.10474	3.6
533.17804	2.7
581.14484	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37295	0.1
59.01370	0.3
61.98829	100.0
69.27187	1.4
74.36433	0.1
78.95897	0.4
101.47400	0.2
104.18886	0.2
152.99625	0.5
273.42847	0.1
279.23273	2.0
280.23752	0.7
281.23978	0.7
282.24344	0.3
294.62161	0.1
304.92178	0.2
317.54471	0.2
350.37189	0.2
388.38568	0.2
401.06699	0.1
451.73801	0.1
477.61475	0.2
504.31125	0.8
505.31433	0.2
507.31845	0.5
561.07898	0.2
579.58606	0.2
604.15161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48923	0.1
58.47816	0.1
59.01377	0.3
61.98830	100.0
69.24173	1.0
71.45339	0.1
71.49525	0.1
78.95906	0.8
82.43900	0.1
87.33508	0.1
99.18306	0.1
100.50719	0.1
152.99594	0.3
168.66234	0.1
169.89844	0.1
174.75818	0.1
217.84845	0.1
224.06967	0.2
279.23270	1.7
280.23593	0.6
281.23959	0.2
282.24332	0.2
435.78082	0.1
504.31024	1.1
507.32022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
55.81502	1.0
57.03443	6.5
59.01381	100.0
60.01706	1.1
61.98832	41.9
69.03440	1.6
69.37137	7.1
69.37553	2.2
71.01382	58.6
72.01722	1.5
72.99306	4.1
73.02952	21.4
75.00858	3.7
78.91891	1.8
81.48772	1.1
83.01376	14.4
85.02458	1.9
85.02952	29.6
87.00874	6.4
87.04556	1.1
88.98796	2.9
89.02443	16.8
93.62711	1.3
95.01408	5.6
96.96006	1.1
97.02971	3.7
98.02498	1.6
99.00887	8.0
99.98472	1.2
101.02445	49.4
103.04033	1.8
109.02917	1.6
111.00870	3.2
113.02452	23.8
115.00315	1.4
116.92878	1.2
119.03483	2.9
119.05000	1.8
123.04525	2.2
125.02469	7.4
127.05141	1.3
131.03482	2.5
133.01425	1.8
135.04532	3.9
137.02419	1.8
143.03513	2.5
145.05014	1.2
149.00858	1.8
149.04523	1.9
149.17769	1.3
151.00407	6.3
152.03514	1.2
159.02979	3.7
161.04552	14.6
163.06145	2.3
166.05078	3.1
173.11737	1.2
175.03954	1.5
188.23598	1.4
224.67534	1.2
285.03925	1.8
287.05481	3.4
297.78793	1.1
327.04987	1.6
359.28244	1.5
375.23877	44.7
377.28976	6.2
389.21649	3.9
419.22617	1.3
427.69061	1.5
449.10132	1.7
461.23849	3.4
479.24957	6.7
503.24554	1.3
521.29370	93.3
522.29309	7.7
539.34644	11.5
568.97711	1.3
581.13428	1.8
581.22461	3.5
581.35669	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	581.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50280	0.7
59.01381	9.0
61.98826	1.1
69.32173	5.5
79.19889	0.6
84.26961	0.7
120.04508	1.3
120.08155	2.9
121.05335	3.2
122.06113	10.0
134.06113	2.7
160.06447	5.6
170.75270	0.7
174.08005	0.7
197.07318	1.5
198.12903	0.9
209.07167	1.1
211.08714	1.3
213.10332	24.7
223.08823	1.9
224.09642	1.0
225.10278	1.6
226.11066	1.4
237.10413	0.9
239.11897	61.2
240.12279	2.7
241.13467	24.7
242.13795	1.3
251.11861	0.8
253.13426	3.9
255.11717	0.8
267.15012	1.5
285.12439	100.0
286.12796	4.4
338.06689	0.9
493.26154	5.2
537.25006	14.9
538.25287	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98835	1.4
69.22797	10.7
71.01391	4.4
72.42500	1.0
75.00884	1.8
78.44038	1.1
79.06853	1.0
85.02959	1.5
86.83335	0.9
89.02466	1.7
93.51375	1.0
101.02457	2.3
112.71205	1.2
115.00390	5.7
121.02924	1.2
133.01440	13.1
149.04507	1.2
204.86841	1.0
237.05588	1.1
269.08279	7.1
283.09851	3.1
285.04065	2.5
299.09146	5.0
311.09436	7.0
314.11618	14.0
325.10953	1.3
326.11633	8.2
329.13928	43.0
330.14380	3.0
341.13916	25.7
389.21582	1.2
447.09308	2.4
521.25952	5.4
521.33105	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	581.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59030	1.1
57.03426	1.5
59.01382	18.6
61.98827	7.6
65.00317	4.0
69.29125	6.3
69.29549	4.5
71.01380	5.8
72.99317	14.4
83.01386	2.7
84.60609	1.2
85.02962	2.6
87.00879	23.1
87.01380	1.9
89.02424	2.0
101.02419	3.6
103.00379	5.3
105.01942	2.3
107.01388	6.4
109.02977	1.3
113.02459	2.2
122.03761	1.4
125.02446	3.0
133.02975	2.1
135.04512	23.0
149.00919	100.0
149.02280	3.6
150.01305	1.7
150.03218	5.0
151.00369	31.9
165.05569	5.1
169.01360	1.3
194.20175	1.4
195.06514	1.5
241.63960	1.4
287.05621	31.4
288.06082	2.1
290.52084	1.4
311.05655	1.5
431.09793	1.7
445.09613	2.0
473.18243	9.9
491.18954	3.4
521.33325	3.5
533.20123	3.0
539.33582	1.7
575.89581	1.3
581.14734	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	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
59.01388	3.5
61.98830	1.9
65.00330	1.3
68.99819	0.3
69.24157	2.6
71.01369	1.4
72.99311	0.4
73.02957	0.3
81.03461	9.6
83.01390	5.4
85.02962	0.7
87.00899	0.4
88.98782	0.6
89.02449	0.7
93.03471	7.7
95.01405	0.4
95.05032	0.5
99.04515	0.5
101.02428	0.8
107.01408	1.7
109.02990	0.3
110.99029	0.3
113.02465	0.8
119.05037	9.9
123.04537	31.1
124.04872	0.4
125.02451	18.2
135.04546	2.9
137.02411	0.5
139.04016	0.4
149.02451	1.8
151.00389	5.5
151.04030	0.4
163.03954	0.4
165.05614	0.4
167.03503	82.0
168.03848	2.3
169.06566	0.4
179.03513	8.4
181.05156	0.3
187.07663	0.6
189.05588	1.6
191.03542	0.9
211.07729	0.3
229.08716	1.0
255.06635	0.8
273.07697	100.0
274.08035	4.5
287.05649	1.6
297.07764	0.7
433.13428	1.1
449.10840	1.2
521.32861	1.1
543.24396	1.7
545.25018	0.3
581.18768	18.3
582.18951	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	580.37
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81997	0.4
56.82401	0.6
59.61131	0.5
61.98831	100.0
69.92811	2.2
77.87263	0.5
78.95911	0.6
98.20610	0.6
127.39790	0.4
148.06485	0.4
290.36096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92634	0.4
61.98831	100.0
69.57950	1.9
80.96526	0.6
83.29363	0.4
153.16473	0.4
154.39822	0.4
156.17438	0.4
164.32191	0.3
220.14949	0.5
253.58421	0.4
254.94968	0.4
389.87930	0.4
392.63806	0.4
581.30334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98179	0.3
59.01379	18.2
61.98824	1.2
62.96362	0.3
67.98038	0.3
70.09781	1.5
78.95905	19.0
83.68234	0.3
89.29782	0.3
98.88690	0.3
152.99634	2.3
168.04324	2.8
193.11731	0.3
224.06923	8.2
242.07941	2.0
247.60521	0.3
281.24841	100.0
282.25220	5.2
424.73248	0.3
506.32483	67.5
507.32773	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	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42419	0.3
59.01381	12.9
61.98824	2.1
69.19881	2.5
78.95907	5.7
96.10126	0.4
123.00964	0.3
143.78888	0.3
148.99330	0.3
152.99576	1.2
168.04323	1.4
193.71657	0.3
219.24289	0.3
224.06950	0.8
228.93790	0.3
242.07973	2.0
267.63104	0.3
281.24847	100.0
282.25171	4.6
506.32507	26.4
507.33020	1.6
531.91528	0.3
580.28296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32088	0.1
56.98055	0.1
59.01381	0.9
61.98829	100.0
62.98518	0.2
64.90910	0.2
69.42286	0.5
69.42706	0.8
71.01389	0.4
73.02966	0.2
80.26312	0.2
89.02464	0.2
101.02457	0.2
119.53550	0.1
139.43071	0.2
185.09215	0.2
333.22363	0.1
449.27719	0.2
520.32526	0.2
538.33557	0.2
580.34460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06672	0.2
58.36709	0.1
59.01380	0.4
61.98831	100.0
69.24553	0.8
69.24965	0.4
77.98237	0.1
78.95917	1.0
91.23856	0.2
98.20751	0.2
130.75096	0.1
143.10793	0.2
148.09058	0.1
152.99638	0.3
171.02794	0.1
201.47974	0.1
224.07005	0.2
249.41286	0.2
277.21710	1.3
278.22076	0.5
279.22488	0.4
280.22696	0.3
293.10690	0.1
296.01074	0.2
301.38116	0.1
323.35522	0.1
323.50278	0.1
345.02933	0.2
369.69553	0.1
381.18646	0.2
423.87787	0.1
436.99506	0.2
450.07501	0.2
502.29388	1.2
504.30331	0.2
505.30310	0.7
579.30933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70425	0.1
52.54626	0.1
59.01371	0.5
61.98829	100.0
66.53697	0.1
69.23903	1.1
69.24316	0.3
78.95909	0.5
92.90520	0.1
114.31506	0.2
115.98409	0.1
152.99588	0.4
277.21707	2.2
278.21924	0.8
279.22455	0.4
309.82166	0.1
315.50116	0.2
434.87131	0.2
502.29520	0.6
504.30005	0.2
505.30255	0.2
579.29822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03440	2.2
57.81427	0.9
58.00572	2.7
59.01377	100.0
61.98830	37.1
64.85705	0.8
69.03445	1.7
69.23512	1.9
69.23919	6.3
71.01383	32.1
72.99294	4.1
73.02557	1.8
73.02945	30.8
81.10698	1.0
83.01387	1.9
85.02947	14.5
86.00109	1.1
87.00876	9.6
87.04500	3.4
89.02441	27.3
97.62421	0.7
99.00782	0.9
101.02441	55.9
103.04007	20.4
113.02458	4.8
115.03996	7.3
119.03500	12.0
125.02414	2.7
127.03938	1.1
131.03500	10.1
133.02954	0.9
134.03732	0.8
135.04459	1.0
143.03502	12.8
145.05026	6.3
149.04547	1.9
161.04584	1.2
163.06119	89.6
164.06400	0.9
205.07147	23.9
226.33130	1.0
235.08110	1.3
265.09271	9.3
268.28842	0.8
285.04080	2.5
309.03937	1.1
325.11429	1.1
327.05078	1.1
345.13406	2.2
447.09048	1.7
519.28259	5.3
537.32629	2.5
579.13580	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	579.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61286	0.8
55.01867	1.5
57.03446	6.4
58.00595	2.0
58.35162	0.8
59.01382	40.9
59.31224	0.8
61.98833	5.8
69.03446	1.1
71.01386	42.9
71.52376	1.2
72.90775	0.9
72.99301	3.4
73.02948	9.5
75.00875	1.8
83.01398	7.5
83.71913	0.8
85.02951	14.1
87.00866	4.0
89.02453	25.0
93.03467	1.8
95.01396	1.9
97.02941	2.5
99.00880	4.6
99.04523	4.3
101.01791	1.9
101.02443	27.6
101.69421	0.9
109.02929	2.7
111.00907	5.2
113.02454	13.5
119.03471	2.1
119.04983	1.4
123.04507	2.4
125.02464	9.8
126.02730	1.1
131.03520	12.3
133.02939	3.3
135.04509	2.5
137.02444	3.8
139.03932	1.0
143.03476	2.8
149.00967	1.4
149.02437	1.8
149.04539	9.4
150.03186	4.0
151.00378	1.6
151.03970	1.0
159.03053	1.6
159.04451	1.2
161.02507	1.8
161.04549	6.1
163.04002	1.2
163.13744	0.9
165.04147	1.2
165.05554	3.0
167.03491	1.1
173.04538	3.3
175.00368	1.7
175.04063	1.8
179.03502	1.8
191.05624	5.0
195.06563	2.2
209.48961	0.9
225.05525	1.0
233.06679	2.9
252.04851	1.0
269.04739	1.0
271.06134	2.0
281.04376	1.5
284.03006	1.2
285.04001	2.6
289.07208	7.5
290.07751	1.2
291.07800	1.8
293.04599	2.2
293.08560	1.4
294.04901	1.8
295.05267	1.8
297.04126	2.4
298.04855	4.2
299.05450	3.0
309.04080	11.2
313.06799	1.1
316.70828	0.9
327.05093	10.5
337.09262	1.4
339.04947	1.2
353.08585	1.4
357.06091	3.7
387.20270	14.4
413.08945	1.0
429.08267	4.9
447.09424	5.0
459.09021	2.5
461.14053	1.8
519.24481	100.0
520.24854	7.5
579.13312	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	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	48.5
61.98825	100.0
71.01378	24.0
71.51732	30.0
80.94889	24.5
83.27007	23.9
89.48876	21.8
117.21507	19.3
195.00912	21.3
232.16415	22.0
233.69249	21.5
282.14594	19.9
308.78766	24.5
443.83539	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	579.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.1
71.01396	5.2
85.02964	1.0
89.02444	6.3
101.02464	1.3
111.31979	1.0
112.93391	0.9
119.03479	1.0
129.02048	1.0
130.16736	0.9
131.01390	1.3
133.02954	12.1
134.03732	3.3
149.02374	1.3
161.02428	1.1
163.00386	2.5
175.00407	3.0
175.04016	1.1
192.77658	0.9
201.02007	1.5
227.03387	1.4
241.04884	1.2
253.04958	1.8
265.05029	1.2
269.04404	2.3
281.04639	1.3
282.05374	1.2
284.03232	4.1
285.04041	9.7
297.04016	18.8
298.04813	73.8
299.05316	6.2
309.04044	35.7
310.04453	1.8
311.05481	3.8
324.03027	1.4
325.03421	3.0
326.04102	3.8
327.05063	29.8
330.03894	4.2
338.04153	2.8
339.05103	10.4
341.06641	1.6
351.05060	2.7
353.03171	2.3
357.06140	18.6
369.06128	2.7
429.08252	22.1
447.09415	5.9
459.09311	28.3
460.09540	2.8
519.24506	2.5
579.13562	100.0
580.13855	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	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
59.33385	0.9
60.48754	0.9
67.82822	0.7
71.01376	3.3
71.20599	1.2
89.02436	2.7
89.70822	0.8
105.03483	0.9
109.02978	1.9
113.02467	1.0
121.02982	1.7
125.02448	1.5
125.35110	0.9
131.01410	2.3
133.02954	20.9
135.04544	1.0
149.02452	1.3
161.02422	1.9
163.00301	1.4
163.04010	1.7
165.01939	1.1
173.02435	1.7
175.00365	7.6
175.03966	2.4
191.03438	1.6
201.01935	1.9
206.41226	0.8
213.05629	0.8
225.05513	1.1
241.04985	1.4
253.05156	1.5
263.03452	1.0
265.05038	2.7
267.03036	3.2
281.04547	1.3
284.03271	7.0
285.04056	9.0
289.07156	1.7
297.04028	14.8
298.04822	12.7
299.05615	14.9
309.04053	87.0
310.04333	5.1
311.05627	3.4
327.05096	100.0
328.05460	6.0
339.05048	4.6
341.06403	1.0
357.06168	43.5
358.06546	2.8
369.06107	2.2
393.05948	0.9
429.02420	1.9
429.08301	38.5
430.08685	2.3
449.10724	2.9
459.09311	19.0
460.10211	1.1
464.23331	0.9
519.24707	4.2
579.13568	60.3
580.13660	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	579.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.3
70.26680	5.7
71.01365	2.1
72.99300	3.7
83.48665	1.4
87.00874	5.6
88.98813	1.4
89.02456	1.6
109.02962	7.5
110.20409	1.3
112.98804	3.5
121.02939	3.9
123.04524	3.0
125.02429	3.4
130.99879	1.6
133.02940	12.7
135.04530	1.7
137.02412	4.6
139.03987	1.8
149.00932	21.1
149.02322	2.9
149.04567	1.3
151.03990	2.7
161.02385	3.2
163.00359	2.6
163.03996	2.9
165.01997	2.6
173.02565	1.6
175.03981	4.8
177.02026	1.6
179.03503	3.1
191.03464	3.5
193.01373	2.1
199.04002	1.6
203.03612	2.0
203.07054	1.6
217.04939	1.7
221.02962	4.4
225.05504	2.0
229.05017	1.8
245.08160	2.9
251.04146	7.6
253.05121	2.8
284.03214	10.7
285.04019	11.9
289.07175	18.4
290.07471	1.3
297.04028	27.1
298.04782	17.2
299.05569	20.9
300.05844	1.8
309.04095	2.1
311.05539	4.9
312.06335	3.2
313.07352	1.6
325.03470	2.2
327.05072	100.0
328.05350	5.6
339.05045	11.5
341.06641	4.9
353.06601	2.5
357.06168	60.4
358.06348	3.8
369.06113	22.5
376.60049	1.5
381.06049	4.1
393.06094	5.0
399.07178	14.6
411.07001	4.4
429.08310	9.1
441.08035	1.9
447.09314	80.9
448.09714	7.1
451.09927	1.4
459.09421	10.6
469.11063	1.7
471.09534	1.6
489.10608	7.9
498.22894	1.6
579.13843	30.2
580.13318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94971	1.1
56.27771	1.2
59.01389	10.0
69.61743	3.4
69.62154	4.8
71.01382	4.6
72.99306	4.1
83.01369	1.5
87.00869	5.1
89.02467	3.0
102.56849	1.2
103.00346	4.1
108.25404	1.5
109.02963	7.8
110.09219	1.2
112.98801	3.6
121.02947	3.3
125.02432	3.9
133.02945	20.2
135.04497	1.6
137.02440	3.8
147.04536	1.6
149.00937	21.0
149.02257	2.4
149.04529	1.7
151.04001	2.1
160.63644	1.4
161.02467	3.0
163.00305	2.7
163.03995	3.3
165.02029	2.5
175.04008	5.1
177.01913	3.5
179.07545	1.3
187.03920	1.7
191.03625	2.4
191.05231	1.5
193.01501	2.0
199.03951	1.4
201.01971	2.5
203.03548	1.8
203.07195	1.4
205.05040	1.7
217.04953	1.5
221.03021	4.8
225.05727	1.9
240.04355	2.1
241.05049	1.6
251.04092	6.8
253.05083	1.5
255.06781	1.7
269.04495	2.9
284.03214	10.2
285.04062	9.4
289.07245	11.1
297.04095	25.7
298.04749	23.1
299.05600	24.4
309.04178	4.6
311.05643	9.2
312.06299	3.7
313.07187	2.8
318.31354	1.4
323.05688	2.1
325.03534	3.9
327.05081	100.0
328.05444	6.5
339.05142	11.2
341.06656	4.0
351.05084	1.8
353.06833	1.8
357.06137	55.4
358.06503	1.9
369.06143	24.8
370.06552	1.7
381.06107	2.9
393.06174	3.9
399.07141	14.2
411.07123	7.0
429.08133	9.8
441.07953	2.0
447.09317	86.5
448.09976	6.5
459.09363	14.0
489.10336	6.4
579.13812	39.7
580.13995	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	579.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.6
57.90047	1.1
59.01379	10.2
61.98832	6.8
69.03456	1.8
71.01398	7.1
71.82393	1.2
72.99313	2.7
74.82247	1.1
81.03483	1.4
83.01387	7.2
85.02952	1.8
87.00864	3.4
89.02446	4.5
93.03455	3.9
95.05028	3.1
97.02951	4.4
101.02429	2.7
107.01385	1.5
109.02956	18.6
111.00911	1.3
119.05026	2.4
121.02962	4.9
123.00790	1.6
123.04509	11.6
125.02451	22.8
133.02950	12.0
135.04547	3.1
137.02443	25.8
139.03996	2.9
146.03705	1.9
147.04559	1.6
149.00952	10.1
149.02246	5.6
149.04480	1.9
149.06145	2.9
150.03185	2.4
151.00327	2.1
151.03975	7.7
159.04526	2.0
161.02406	4.8
161.06059	3.4
163.00322	2.3
163.04002	6.6
164.01132	3.4
165.01886	4.9
165.05568	1.4
167.03462	3.6
173.04565	1.6
173.06033	2.6
175.00377	2.5
175.03984	5.7
175.07581	1.5
177.01921	2.3
179.03467	8.1
185.06010	2.8
187.03981	2.6
188.04726	2.1
191.03499	3.8
191.05527	2.2
193.01526	1.7
199.03944	1.8
201.02014	2.0
202.06453	1.2
203.07098	8.3
205.05072	5.7
211.04012	1.4
215.07010	1.3
221.08182	1.3
227.07060	2.6
231.06520	1.6
245.08199	10.5
247.06160	1.5
253.04959	1.5
255.06589	2.1
257.04459	1.7
271.06064	4.1
276.21112	1.4
281.04663	1.4
284.03284	8.0
285.03973	9.0
289.07199	69.3
290.07428	3.0
291.07831	1.3
297.04041	17.2
298.04807	13.3
299.05655	18.4
309.04089	11.1
311.05646	3.4
326.72781	1.2
327.05093	100.0
328.05432	4.7
331.08231	6.8
339.05078	3.8
341.06488	1.6
357.06171	25.8
358.06445	1.8
369.06256	2.8
409.08502	1.2
423.10745	2.5
427.10214	4.7
429.08176	5.3
447.09332	92.9
448.09344	7.5
451.10397	2.8
459.09399	2.7
469.11404	8.9
472.22110	1.3
519.24414	6.0
579.14679	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.4
61.09085	0.3
61.98826	0.7
69.20007	2.3
71.01365	0.3
78.95905	22.5
79.95760	0.3
80.96517	2.3
87.54895	0.2
94.98038	0.3
96.96066	0.3
96.96961	0.4
98.92584	0.2
122.98508	0.6
125.87688	0.2
135.91376	0.2
152.99597	3.4
164.98631	0.3
168.04324	3.1
224.06927	7.7
225.00792	0.5
242.07993	2.2
261.22235	0.5
279.23273	100.0
280.23630	5.2
344.36053	0.3
400.52554	0.2
504.30957	58.8
505.31366	3.9
578.27057	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
70.98646	0.5
70.98988	0.5
71.01406	0.5
78.95905	5.8
78.98587	0.4
79.95744	0.5
80.96514	3.2
85.02926	0.3
94.98095	0.8
123.53883	0.3
123.79002	0.3
152.99554	1.1
164.98584	0.4
168.04272	1.5
194.57109	0.3
206.99591	0.3
224.06819	1.1
225.00708	0.7
242.07913	2.6
243.08200	0.3
279.23276	100.0
280.23584	5.0
504.30948	30.3
505.31540	1.4
578.27148	6.6
579.27026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06354	6.3
56.48442	6.5
59.01378	100.0
59.29152	7.4
60.16408	7.0
60.86562	7.4
71.51115	8.6
71.51487	9.1
89.02435	12.1
90.81644	7.1
91.04025	47.6
97.82475	7.9
272.57254	7.0
281.24832	7.7
296.29337	7.3
307.30191	41.1
351.28958	24.4
369.30090	34.9
425.32651	41.4
443.33710	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	577.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03434	5.0
57.35033	1.0
58.00580	1.3
58.66600	1.0
59.01381	76.9
61.98824	2.7
69.03445	1.1
69.20777	10.9
70.04013	1.1
71.01383	47.5
71.46874	1.1
72.99307	9.3
73.02946	26.8
75.00848	1.4
75.18048	1.0
79.82817	1.0
81.03411	1.1
81.15434	1.0
83.01389	13.9
85.02946	21.4
86.00066	1.0
87.00881	8.1
87.04511	2.4
89.02444	19.8
89.99163	1.0
95.01386	3.5
97.02950	2.3
98.19872	2.0
99.00862	5.5
101.02442	53.3
103.04016	9.6
109.02927	1.2
113.02444	14.6
115.04020	2.4
119.03509	9.7
125.02444	10.2
127.04032	2.1
131.03479	4.5
143.03476	5.3
145.05055	3.4
153.01985	1.2
159.02957	3.8
161.04550	11.2
163.06126	37.0
205.07220	10.5
209.15430	4.5
265.09164	2.7
269.04462	1.5
289.07077	2.2
293.04651	3.8
319.62109	1.1
332.97522	1.1
371.20728	42.0
372.20987	2.2
397.09125	1.8
407.07590	1.5
430.76907	1.4
445.24078	2.1
503.94992	1.3
517.26501	100.0
518.26715	7.8
577.15546	3.4
577.30743	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
56.88272	1.2
57.03444	4.1
58.00590	3.6
59.01379	100.0
60.01709	1.3
61.98829	17.5
70.93842	2.6
70.94191	1.3
71.01382	63.2
72.99310	4.9
73.02947	12.2
75.00891	1.5
78.95878	1.3
83.01383	4.4
85.02946	10.1
87.00890	8.8
88.98837	1.6
89.02448	95.7
93.03470	1.9
96.35635	1.2
96.96962	1.6
97.02963	1.4
97.17376	1.3
99.00882	2.1
101.02444	42.6
103.87116	1.4
109.02969	2.0
109.92577	1.1
113.02469	11.5
119.03502	5.6
123.04521	2.1
125.02456	10.8
125.09690	1.5
128.03539	1.6
131.03508	35.7
133.02930	1.3
149.04556	91.4
161.02391	2.6
161.04588	2.3
163.06151	1.7
171.10245	1.3
191.05644	16.6
205.93202	1.2
251.07739	2.1
288.20694	1.3
289.07172	4.7
292.46582	1.3
355.24738	3.5
373.25769	1.8
401.71286	1.3
407.07681	4.7
425.08716	1.4
517.29877	3.0
535.30438	2.3
577.32623	21.5
578.33264	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48024	0.5
57.03467	0.6
59.01383	1.3
59.62146	0.5
61.98830	74.9
63.96234	1.6
66.36231	0.5
67.43945	0.5
69.03445	0.8
69.19530	1.7
69.19952	3.2
71.01382	6.5
73.02948	1.6
74.30732	0.5
78.98593	6.2
79.95731	8.5
80.96518	61.9
85.02967	2.3
87.00875	2.4
94.98085	15.2
96.96031	0.8
97.02961	1.8
98.20688	1.2
99.00875	0.6
101.02460	2.1
106.98102	2.8
107.20265	0.6
121.02934	0.6
122.97594	5.4
124.48621	0.5
125.02453	2.7
127.04019	0.6
134.97603	4.8
136.99171	1.1
148.99155	5.9
152.98634	6.4
156.24675	0.5
164.98633	9.9
167.00200	0.6
182.99696	2.5
206.99673	2.3
224.98663	1.1
225.00728	12.9
243.01749	1.8
277.21725	1.9
279.23251	4.2
299.04453	2.6
342.47565	0.6
381.85233	0.5
504.30789	1.0
529.37640	0.6
565.83588	0.5
577.26849	100.0
578.27216	5.6
587.13068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.40007	0.6
57.03445	0.9
57.27867	0.6
58.00596	3.4
59.01377	100.0
61.98834	3.7
69.03452	1.8
69.21349	5.7
71.01382	29.9
71.01781	1.4
72.99302	5.3
73.02946	33.4
74.03305	0.7
75.00887	0.8
75.96611	0.5
78.24900	0.6
83.01381	1.4
85.02950	12.1
86.00093	1.6
87.00874	8.7
87.04520	3.9
89.02444	28.3
101.02442	54.2
103.04009	26.7
109.02977	0.9
113.02437	2.5
115.04008	7.7
119.03499	12.5
121.59169	0.6
125.02437	3.3
127.04015	2.7
131.03493	8.8
133.05119	0.6
143.03516	9.4
145.05092	6.7
145.61824	0.6
149.04524	5.3
157.99597	0.9
161.04631	0.8
163.06122	84.8
163.20590	0.7
164.06381	1.2
191.05603	1.1
205.07150	19.5
230.30812	0.7
235.08214	0.8
265.09265	4.5
325.11270	0.8
383.60425	0.6
413.99231	0.7
517.30280	0.9
534.70514	0.7
577.32544	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	577.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.01381	7.8
61.98835	10.6
71.01388	5.7
71.76041	0.9
73.02949	2.4
83.01377	1.5
85.02940	3.0
89.02418	2.3
91.01935	0.8
93.03461	1.2
95.88881	0.7
95.97328	0.8
98.20669	1.8
99.75114	0.8
101.02449	4.9
109.02940	1.3
113.02422	2.2
119.01369	4.0
121.02943	3.3
125.02435	2.3
125.09695	1.3
127.93097	0.9
134.03754	1.7
135.04524	1.8
137.02470	1.8
147.00899	6.4
147.04539	1.6
149.02441	10.5
152.01152	1.0
161.02428	1.1
163.04022	2.6
164.04791	11.5
165.01852	1.4
171.10303	0.9
175.00360	28.7
176.00888	1.2
179.07114	2.1
187.09776	0.8
190.02711	77.0
191.03270	2.9
205.05054	74.0
206.05367	2.2
208.03812	1.0
209.04515	1.7
209.15535	0.9
223.06128	14.9
229.46825	1.3
253.98894	2.2
289.07205	3.1
293.04858	1.1
341.23441	1.2
407.07745	2.2
485.28122	0.9
517.30804	1.0
562.24060	2.3
577.26495	100.0
578.26996	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	577.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96435	1.6
57.03447	17.3
58.21470	1.7
59.01383	84.5
61.98823	4.7
65.12239	1.7
66.06993	1.9
69.03435	2.5
69.24116	5.9
69.24539	11.3
71.01385	47.5
72.99285	3.9
73.02934	9.0
81.03484	3.2
82.68726	1.8
83.01385	7.5
85.02941	12.6
86.00094	2.1
87.00865	5.9
89.02451	47.4
89.50467	2.0
95.01395	3.3
96.96001	8.8
97.02953	6.9
98.20605	3.5
99.00885	6.8
99.82529	2.0
101.02444	28.6
109.02955	19.5
111.00842	3.7
111.88491	2.0
113.02460	12.2
117.03448	4.2
119.03476	2.8
119.05030	2.0
121.02934	3.5
123.04562	10.9
125.02454	100.0
126.02766	4.1
128.90111	1.9
129.35097	2.1
131.03517	23.8
133.02950	2.7
135.04530	5.6
137.02432	18.0
143.03493	2.2
149.02461	4.6
149.04550	28.0
151.03986	9.1
153.09235	4.2
161.02443	19.8
161.04556	3.2
161.06036	2.6
163.00395	2.0
163.04071	4.7
163.11310	4.6
164.01108	3.0
165.01834	2.8
165.09184	5.7
173.02483	3.9
175.00264	3.0
175.03987	6.4
177.01921	4.7
179.03467	5.9
181.12311	8.0
187.04025	5.8
187.11220	5.3
189.01956	2.1
189.12804	2.7
191.03712	2.7
191.05600	13.1
200.33183	1.8
201.05736	2.2
203.07079	5.6
203.36932	2.1
205.05045	5.6
205.12315	6.4
222.56682	2.0
223.13393	3.4
229.04982	2.6
233.06726	2.1
245.04482	4.1
245.08180	10.4
255.03014	6.3
269.04480	4.1
281.04572	4.5
283.06195	4.6
287.05600	8.6
289.07196	48.2
290.07513	2.7
293.04572	39.0
293.08453	4.0
294.04996	4.9
295.06131	2.8
297.04407	2.4
297.07684	3.9
299.05615	4.7
311.05557	8.3
323.05585	3.3
341.06549	3.6
353.06699	8.4
383.07867	4.0
407.07727	34.9
408.08267	3.4
413.08716	22.1
423.06662	2.4
425.08832	11.7
426.09485	2.3
451.10120	8.5
457.11105	6.0
486.44034	2.1
499.21890	7.8
517.22913	40.5
517.30298	1.6
518.24030	4.1
577.15253	49.2
578.15326	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	577.1561
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03442	3.6
59.01379	23.0
67.86233	1.1
68.52573	1.3
71.01398	3.5
73.02955	2.3
74.19736	1.2
74.39256	1.1
85.02946	3.4
89.02430	3.1
98.20679	1.9
101.02431	1.8
103.04033	1.8
109.02948	3.6
117.03458	9.8
117.32578	1.0
117.91890	1.2
120.71028	1.0
123.04530	2.0
125.02451	22.4
131.01414	1.2
137.02429	4.8
151.03987	1.4
161.02451	6.9
163.04080	1.1
164.01164	1.7
166.03719	1.1
173.02420	4.6
175.00339	7.6
187.04005	2.3
203.07175	1.5
205.01303	1.1
245.08270	1.5
269.04556	2.8
281.04657	5.4
282.05295	3.5
283.06168	6.0
287.05722	1.6
289.07150	12.4
293.04556	100.0
294.04834	6.9
295.06015	3.2
299.05716	1.8
311.05597	10.0
314.04193	1.7
323.05429	6.7
335.05841	2.1
341.06549	5.4
407.07715	11.6
413.08740	57.9
414.09106	3.2
425.08688	3.7
451.10440	2.1
457.11423	5.2
487.34189	1.5
508.60904	1.4
577.15570	66.4
578.16010	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	577.1352
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
54.83628	1.0
57.03451	18.3
69.80891	4.6
69.81290	2.7
70.04489	1.1
75.72911	1.1
81.03458	2.1
83.01400	4.8
90.08077	1.1
93.03474	2.7
95.05066	1.6
97.02969	3.8
104.50259	1.3
108.02158	1.4
109.02965	20.9
121.02959	3.2
121.05565	1.0
122.03732	1.4
123.04529	14.2
125.02458	100.0
126.02753	1.6
131.06900	1.1
133.02968	3.9
135.04532	3.3
137.02463	19.7
139.04016	3.6
146.03754	1.2
149.02490	6.5
150.03241	2.6
150.60754	1.2
151.04010	15.4
159.04501	4.4
161.02438	25.6
161.06100	3.5
162.03166	2.0
163.00360	2.2
163.04051	3.9
164.01144	4.6
165.01973	2.8
175.04028	10.6
175.07642	2.9
177.01859	6.1
179.03502	4.9
183.04608	1.4
187.04041	7.4
188.04675	1.9
201.05768	1.2
202.06332	1.5
203.03752	1.7
203.07185	9.8
205.01445	3.3
205.04996	6.3
211.03879	1.3
213.05463	1.5
215.03615	2.6
217.04974	1.4
221.08093	1.7
227.03497	2.9
227.07050	1.4
229.05055	2.5
231.02974	1.7
243.03140	1.3
245.04507	6.9
245.08160	13.1
247.06187	1.8
253.04976	1.6
255.03004	9.7
256.03806	3.8
257.04559	2.7
269.04568	2.2
271.06290	1.5
273.04099	4.1
281.04575	3.4
282.01688	1.9
285.04044	2.8
287.05652	11.7
289.07190	74.9
290.07529	3.3
299.05649	8.3
301.50723	1.2
316.01596	1.2
339.08694	2.8
381.09781	2.7
407.07693	73.5
408.08078	4.6
425.03271	1.8
425.08780	23.6
425.14374	1.2
426.09436	1.5
451.10226	15.0
577.13690	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	577.1349
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.67616	1.0
55.67376	0.9
56.09410	1.0
57.03447	16.7
59.01368	2.8
69.03494	0.8
70.27906	3.2
70.28317	1.9
81.03451	1.9
83.01395	6.3
93.03468	1.3
95.05054	1.4
96.39857	1.0
97.02954	4.4
107.04972	1.1
109.02962	16.7
117.03496	1.0
121.02945	2.8
123.04519	11.7
125.02449	100.0
126.02783	1.7
133.02950	3.2
135.04532	2.1
137.02449	19.8
139.03983	2.2
147.04515	1.3
149.02429	6.4
151.04033	9.7
157.06633	1.1
159.04489	4.0
161.02444	19.7
161.06091	4.1
162.03177	2.3
163.00407	1.3
163.04028	2.6
164.01144	4.0
165.01918	3.7
167.03424	1.2
173.06097	1.0
175.04021	8.1
175.07649	1.5
177.01939	3.9
179.03476	3.3
187.03999	5.9
188.04787	2.9
203.03461	1.5
203.07138	9.0
205.01427	2.3
205.05107	6.4
217.05096	1.0
221.08246	1.4
227.03488	1.4
227.07089	2.0
228.04250	1.2
229.04922	2.2
231.02782	1.4
243.02786	2.2
245.04495	4.0
245.08185	9.1
255.02936	4.3
256.03720	3.0
269.04355	1.0
273.04001	3.9
281.04459	2.4
285.03986	1.3
287.05630	6.8
289.07175	53.3
290.07526	1.9
293.04504	1.2
299.05594	5.8
315.80154	1.2
339.08612	3.3
381.09747	2.2
407.07678	41.9
408.08145	1.6
422.85480	1.0
425.08759	15.8
425.14331	1.5
426.08960	1.2
451.10327	11.5
577.13440	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.3
61.98823	0.4
64.69435	0.3
69.95347	1.0
78.95907	7.0
90.44622	0.2
113.07753	0.2
121.39608	0.3
144.68787	0.3
152.99588	1.4
168.04320	1.9
174.39853	0.2
188.07701	0.2
208.50369	0.2
224.06934	1.1
233.22760	0.5
242.07961	3.3
259.20621	0.3
275.20325	0.3
277.21710	100.0
278.22055	4.8
307.81659	0.3
502.29401	30.0
503.29709	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.99934	0.5
70.00332	0.8
80.96526	1.2
90.87463	0.2
94.98125	0.4
98.19936	0.3
111.92396	0.2
140.74084	0.3
176.45074	0.2
190.13600	0.2
225.00841	0.3
253.69376	0.2
278.22101	0.5
280.22675	0.3
305.87128	0.2
411.83249	0.2
421.68372	0.2
577.26813	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.9
71.18993	0.7
78.95905	27.5
83.65182	0.4
94.29959	0.6
96.96976	0.5
109.16913	0.4
114.59145	0.4
122.98506	0.7
152.99593	3.3
168.04289	4.0
184.34265	0.4
224.06932	10.0
225.07184	0.6
242.07991	2.5
259.20639	0.8
275.20349	0.5
277.21710	100.0
278.22052	3.8
433.71460	0.5
459.04608	0.5
502.29395	66.3
503.29715	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	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05984	0.8
59.01381	17.1
60.69249	0.7
71.01389	2.8
73.80863	0.7
77.34827	0.8
87.00940	0.8
89.02452	3.0
96.67464	0.8
101.02449	3.6
113.02473	1.7
119.03542	1.1
150.63531	0.8
161.04601	1.5
202.25536	0.8
229.48772	0.8
235.08005	1.0
253.09273	14.3
255.23312	1.0
279.23285	100.0
280.23584	5.0
297.66309	0.9
304.68384	0.8
371.13626	0.8
385.51959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.4
61.69019	0.4
61.98830	100.0
68.47438	0.3
68.52639	0.3
70.11073	1.4
71.01378	0.4
77.77700	0.3
79.27912	0.3
79.95744	0.7
80.96518	4.2
94.98103	1.4
122.97556	0.4
137.02669	0.3
164.98647	0.8
169.62445	0.4
225.00835	0.9
278.22104	0.6
279.22275	0.5
334.08987	0.4
388.05319	0.4
577.27026	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
55.87010	1.3
57.03452	12.1
58.00584	3.0
59.01384	85.0
61.98833	18.1
69.03452	5.4
71.01386	52.0
71.52518	1.9
72.99323	8.6
73.02953	16.3
75.00877	32.8
80.09918	1.2
81.03462	2.1
83.01395	11.1
85.02453	2.9
85.02956	49.8
87.00877	8.8
87.04507	3.9
89.02449	24.8
89.19299	1.2
91.01886	1.2
93.03482	1.9
95.01402	4.5
96.00903	1.2
96.96024	4.2
96.96987	1.6
97.02949	5.2
97.26762	1.1
97.47258	1.1
99.00912	7.8
100.08504	1.5
101.02448	39.6
109.02963	3.9
111.00928	1.5
111.86699	1.2
113.02464	25.0
115.04015	4.1
116.92837	2.6
117.03400	1.5
117.57668	1.3
119.03502	8.2
119.05029	2.4
120.80419	1.3
123.04510	3.1
123.08192	1.9
124.01665	11.6
124.19450	1.3
125.02469	15.1
126.90477	1.6
128.03534	1.7
130.29291	1.4
131.03496	1.4
135.03009	100.0
137.02412	2.4
137.09740	6.0
137.53322	1.4
139.11334	1.6
143.03497	19.4
145.02953	2.7
149.02429	1.6
149.09669	2.3
150.03217	1.3
151.03978	1.6
153.01965	4.5
154.97997	1.3
159.03012	1.5
161.02553	2.5
161.03130	1.3
161.04558	20.8
163.04037	2.1
163.06096	4.3
165.04059	1.5
165.12874	2.1
173.04584	2.9
179.03534	1.8
179.05624	4.4
179.07060	1.2
179.10768	2.1
209.15477	60.3
210.15869	2.3
235.08316	3.7
249.06299	1.7
249.14882	2.1
267.07251	4.1
267.16040	2.8
289.07043	3.4
317.17603	10.7
353.19485	2.4
371.20718	17.1
375.27023	3.6
393.54001	1.4
404.02002	1.4
413.21777	4.7
443.22623	2.6
515.24750	12.6
533.26025	38.3
534.26160	2.3
539.33380	1.6
575.26587	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	575.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.2
57.03457	9.7
58.00585	3.2
59.01385	100.0
61.98836	26.5
62.46763	1.4
69.03474	3.4
69.57381	3.8
69.57796	4.9
71.01390	50.3
72.99306	5.6
73.02951	15.9
74.86555	1.3
75.00880	4.0
81.03465	1.8
83.01388	8.0
83.05035	1.8
85.02960	22.7
87.00882	6.5
89.02453	23.9
93.03459	2.1
95.01400	5.4
96.96003	8.9
97.02943	4.8
98.20685	2.9
99.00901	6.6
101.02458	50.0
103.04021	5.4
109.02992	3.4
113.02467	23.5
115.03993	2.1
116.34824	1.6
119.03509	10.5
119.05067	1.7
123.04485	2.0
125.02461	13.5
127.03987	1.5
127.10709	1.5
128.03600	2.0
135.02997	3.8
135.04500	2.1
137.02365	1.8
139.07666	1.4
143.03481	4.3
145.02951	1.7
148.26991	1.5
152.80043	1.4
159.03096	1.7
161.02489	3.0
161.04552	11.8
163.04068	2.1
163.06181	4.8
173.04568	1.5
175.04012	2.3
179.05664	3.9
192.11609	2.6
205.05084	2.2
207.13951	7.8
209.15480	4.0
247.08455	1.4
267.07016	2.1
289.07104	3.3
293.04651	1.8
307.10394	4.0
369.13458	3.7
371.20703	19.4
375.27573	27.3
376.27872	2.3
377.28308	3.1
413.21777	8.5
443.22986	1.7
533.26007	66.5
534.26581	4.6
575.26807	17.4
576.29163	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	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61113	0.9
57.03441	3.5
59.01379	11.8
61.98831	6.5
69.03452	1.8
71.01381	9.5
71.51081	0.9
72.99330	1.0
73.02938	1.9
78.20380	0.8
83.01382	1.1
83.86191	0.8
85.02951	2.7
87.00882	3.8
89.02432	3.7
97.06575	5.8
99.81870	0.9
101.02459	5.5
111.61629	0.8
113.02493	3.9
119.03455	1.2
123.08167	3.4
125.02462	1.0
125.09721	28.8
139.11278	7.2
161.04597	1.9
167.10771	2.9
171.10278	3.0
183.10263	2.6
185.11818	40.9
186.12164	0.9
187.09756	6.5
200.76372	0.8
201.11357	1.0
235.08174	1.9
260.39337	0.9
265.21716	13.7
293.21124	1.5
309.20703	11.6
327.21777	10.2
337.20169	11.8
354.64264	0.9
355.21292	5.0
405.17627	2.8
545.29706	6.8
573.29138	100.0
574.29639	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
58.59958	0.5
78.95905	68.7
92.98087	0.4
96.96963	15.2
98.20657	1.4
140.48839	0.6
150.98021	1.4
152.99588	59.5
171.00645	0.6
201.96436	0.6
223.00156	1.7
241.01196	33.8
255.23299	76.5
256.23624	4.0
315.04871	10.0
391.22485	6.9
391.27158	0.9
527.78772	0.6
571.28870	100.0
572.29144	6.9
595.17596	0.6
595.27283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.253
Annotation	Humilin B
Peak:m/z	Relative Intensity
56.84646	6.7
59.01373	23.8
71.01354	15.9
71.02026	7.1
71.51750	10.2
72.99309	10.4
85.02969	14.4
87.00884	16.4
89.02458	10.8
101.02429	11.3
112.98810	8.8
113.02449	10.5
149.00900	30.0
318.71179	7.2
571.25281	100.0
572.25500	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	570.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04519	1.3
61.98832	100.0
68.82124	1.4
71.51902	2.7
73.85268	1.2
74.84232	1.2
75.52547	1.5
81.35495	1.5
87.96389	1.3
115.92012	2.3
121.51679	1.4
187.89951	1.6
196.28433	1.7
196.95193	1.5
210.89415	1.4
341.62036	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	571.253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84646	6.7
59.01373	23.8
71.01354	15.9
71.02026	7.1
71.51750	10.2
72.99309	10.4
85.02969	14.4
87.00884	16.4
89.02458	10.8
101.02429	11.3
112.98810	8.8
113.02449	10.5
149.00900	30.0
318.71179	7.2
571.25281	100.0
572.25500	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	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88281	0.1
59.01380	0.3
60.33819	0.1
61.51684	0.1
61.98829	100.0
62.02647	0.1
62.98521	0.1
71.00349	0.2
87.00872	0.1
99.59455	0.1
101.02425	0.2
140.55008	0.1
154.08716	0.8
166.94788	0.1
169.41966	0.1
197.43608	0.1
278.17761	0.2
393.33994	0.2
471.69620	0.1
481.46307	0.1
514.55188	0.1
571.08984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26339	0.2
61.98831	100.0
75.17683	0.2
76.05279	0.2
88.32483	0.2
229.44769	0.2
254.25706	0.2
279.05377	0.2
299.67874	0.2
512.91565	0.3
595.47754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04840	0.1
59.01386	0.4
61.98831	100.0
65.24627	0.2
71.43567	0.2
74.76923	0.2
99.97206	0.2
101.02448	0.1
142.65456	0.2
432.85602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35425	0.2
56.67221	0.2
59.01383	0.9
61.98832	100.0
63.99260	1.2
65.26714	0.2
71.01376	0.3
71.52643	0.3
89.02463	0.3
97.34740	0.3
101.02500	0.3
123.04512	0.3
133.07864	0.3
186.68050	0.3
371.10864	0.2
411.91342	0.3
522.88025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10686	0.5
58.05632	0.3
59.01381	1.6
59.57547	0.4
61.98832	100.0
65.68859	0.4
71.01385	0.7
72.56488	0.4
73.82603	0.4
75.00948	0.4
101.02488	0.6
113.02422	0.6
114.85477	0.5
133.03027	0.5
135.04529	0.5
196.55496	0.5
242.22255	0.4
306.07758	0.5
332.78198	0.5
349.20410	1.6
405.53592	0.4
466.18665	0.4
575.99176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01381	1.0
61.90334	0.2
61.98830	100.0
63.03802	0.2
71.01389	0.4
71.52048	0.3
78.95952	0.2
85.02948	0.3
89.02441	0.5
92.67591	0.2
99.92580	0.3
109.03006	0.2
113.02457	0.2
116.92855	4.0
116.93609	0.3
117.92869	1.5
125.50159	0.2
127.05181	0.2
128.03558	0.3
135.04578	0.3
143.04651	0.4
173.04561	0.3
191.05775	0.2
209.11891	0.3
279.66779	0.2
306.07678	0.4
322.94000	0.2
357.86182	0.2
373.26270	0.3
456.82553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11977	0.2
59.01382	0.9
61.98843	0.5
71.01382	0.7
71.05012	0.2
71.52380	0.3
73.02945	1.6
85.02959	0.6
87.00903	0.3
88.98817	0.4
89.02436	0.4
96.96017	0.3
99.00883	0.5
99.92591	8.2
101.02432	0.4
102.51411	0.2
103.30987	0.2
109.02956	0.2
113.02444	0.4
114.93411	0.3
116.92870	100.0
117.01951	4.2
117.92878	2.7
121.02970	0.5
123.32518	0.2
125.02475	0.3
135.04517	0.2
137.02458	0.2
149.02426	0.3
150.03239	0.3
165.05582	0.5
191.05719	0.2
195.06679	0.4
237.21301	0.2
319.20990	0.3
521.20142	0.3
569.28198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51847	0.2
59.01386	0.4
61.98830	100.0
69.26334	2.1
90.34240	0.3
141.37326	0.3
165.20860	0.3
177.60857	0.3
228.99414	0.3
508.35626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98830	100.0
66.93343	0.2
69.17065	1.8
71.01401	0.4
93.68177	0.2
93.70101	0.2
101.02472	0.2
111.21581	0.2
169.95811	0.2
232.18776	0.2
309.62500	0.2
323.12177	0.2
508.36111	0.2
522.04645	0.2
556.48199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0724
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
54.60367	1.0
59.01368	5.5
61.98540	1.8
61.98830	25.0
65.00324	5.5
69.36852	2.5
69.37253	7.4
71.01370	3.3
74.75807	1.3
78.63306	1.1
83.01371	2.7
88.98805	3.2
91.55638	1.3
93.03458	2.0
94.88467	1.5
101.02440	2.2
107.01370	6.4
109.02966	6.4
113.02461	2.7
125.02406	2.6
128.03592	1.7
133.02956	11.4
135.04590	1.7
137.02444	2.1
143.04587	1.6
149.02458	2.3
151.00374	16.7
177.01868	1.8
184.41840	1.1
193.01442	3.2
195.04448	1.3
209.05942	1.4
211.03976	1.8
215.03487	1.4
239.03564	8.5
240.11252	1.0
241.01263	1.3
246.01547	1.2
255.03067	2.9
257.04504	1.9
263.03479	3.4
265.01328	1.3
277.05069	1.4
281.04495	5.6
283.02478	3.5
285.03937	3.4
301.04562	1.3
305.04431	2.8
306.07785	1.7
307.02432	4.1
323.05371	6.3
344.79996	1.1
347.05658	6.7
349.03433	2.4
358.81290	1.2
389.06781	2.0
390.99414	2.3
391.04553	40.0
392.04932	3.2
415.04562	4.6
417.06509	11.0
433.05615	13.0
459.03635	4.3
569.07214	100.0
570.07623	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	568.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85479	0.3
59.01374	1.1
61.98830	100.0
68.15513	0.3
71.01371	0.6
71.41161	0.2
83.47794	0.3
115.49561	0.3
173.36836	0.3
177.01926	0.4
195.48688	0.3
271.05576	0.3
280.22375	0.3
364.26978	0.3
484.08813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27925	0.2
53.02121	0.2
57.30610	0.2
59.01375	0.7
61.98832	100.0
66.28584	0.2
70.80871	0.4
70.81206	0.4
71.01397	0.4
73.32326	0.2
89.02460	0.2
94.06644	0.2
101.02454	0.2
130.08817	0.2
154.08698	0.2
256.08130	0.2
306.07697	0.2
508.36163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98830	100.0
69.70008	2.0
77.00950	0.3
78.95930	0.3
78.96458	0.3
96.23942	0.4
110.12752	0.3
148.66302	0.3
175.69090	0.3
197.91830	0.4
272.27280	0.3
320.13242	0.3
568.28870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98826	100.0
63.99265	0.3
71.00901	0.2
71.01240	0.3
85.91064	0.2
89.02453	0.2
101.02471	0.2
122.87423	0.2
133.02963	0.3
145.03030	0.2
151.00333	0.3
178.84071	0.2
189.52632	0.2
241.26314	0.2
283.02554	0.2
298.82932	0.2
417.06158	1.3
461.32486	0.2
569.07306	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	568.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98832	100.0
71.01398	0.8
71.52556	0.4
73.02973	0.3
89.02418	0.3
93.03479	0.4
99.04485	0.3
104.85709	0.3
109.02940	0.3
113.02452	0.3
125.02444	0.4
127.70672	0.3
135.04541	0.4
165.61160	0.2
177.69281	0.3
289.07358	0.3
305.71957	0.2
311.06018	0.3
400.39380	0.3
533.89838	0.3
584.42816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75829	0.3
57.03460	0.3
58.39134	0.3
59.01379	2.3
61.98830	100.0
62.74724	0.3
69.97707	1.0
69.98122	0.5
71.01392	1.3
72.01716	0.3
75.48605	0.2
78.45679	0.2
78.95908	0.3
80.81136	0.3
81.03474	0.4
83.01393	0.6
85.02965	0.3
89.02467	1.2
93.03492	0.7
101.02443	0.8
109.02946	0.5
109.66317	0.3
113.02457	0.6
116.92851	2.6
117.92897	1.1
118.92675	0.4
119.05029	0.5
123.04498	0.6
125.02470	1.3
135.04555	0.7
137.02516	0.3
149.02473	1.1
149.04605	0.7
150.02843	0.5
150.04985	0.3
151.03932	0.4
165.01886	0.3
166.02736	0.5
167.03465	0.7
173.04590	0.8
176.00690	0.4
179.03558	0.7
180.04259	0.3
191.03505	5.7
191.05399	0.4
192.03830	3.3
204.04007	0.3
286.08755	0.3
297.07626	1.9
298.07965	2.8
315.08676	2.2
316.09030	3.4
340.08777	0.3
346.10098	0.5
380.52521	0.3
447.12903	0.5
448.13373	2.8
568.16785	1.4
569.27759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
59.01380	75.8
61.98830	100.0
65.28407	2.4
68.50005	2.3
69.26156	15.3
69.26556	4.9
71.01377	31.9
72.99332	2.9
73.02943	10.8
73.36344	2.3
83.01403	2.8
85.02933	17.3
87.00889	3.9
88.98802	3.0
89.02436	10.2
98.20674	4.9
99.00871	5.2
101.02430	22.7
113.02457	9.4
119.03531	3.1
129.01921	2.6
151.03975	2.6
159.02983	5.5
161.04532	13.8
164.47496	2.5
204.80467	2.5
255.03088	3.1
299.25732	3.6
345.30005	8.6
435.28241	3.6
507.35349	93.2
508.35474	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	568.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01380	2.6
61.98830	100.0
71.01376	1.8
72.01716	0.4
73.02946	0.5
85.02971	0.8
89.02471	1.0
93.03461	0.6
96.95990	1.6
99.00874	0.5
101.02467	1.3
109.02945	0.6
113.02532	0.4
125.02464	1.5
136.07484	0.4
137.02505	0.4
150.92468	0.3
173.04533	0.8
191.05557	0.5
213.59439	0.4
318.81860	0.4
341.24606	0.4
374.94879	0.4
402.73990	0.3
407.06955	0.3
507.28009	1.6
508.28296	2.4
510.67972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30539	52.0
57.37863	47.2
61.98822	100.0
65.17867	52.2
71.50880	51.9
71.51325	66.7
93.80939	55.6
104.33955	58.4
107.10332	60.7
115.93937	56.5
207.51556	60.8
313.49570	59.9
540.22479	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80835	1.2
59.01382	13.5
61.98830	31.2
71.01392	9.6
71.75700	1.2
73.02945	3.2
81.03461	5.9
83.01402	5.1
83.08414	1.4
83.77590	1.3
85.02951	3.1
87.00878	2.2
89.02445	6.7
92.42161	1.5
93.03457	14.1
95.05051	3.5
97.02930	2.3
99.04536	1.7
101.02441	4.9
109.02948	1.4
113.02447	2.8
116.92873	6.2
117.92850	2.0
118.92666	1.9
119.05023	5.6
121.02924	1.8
123.04546	7.5
125.02441	12.3
131.01372	1.9
135.04526	2.2
137.02460	8.2
137.06094	5.7
138.03239	3.1
139.04001	2.1
149.02446	17.5
163.04015	3.7
165.01869	3.0
165.04187	1.9
165.05573	4.2
166.02679	10.8
167.03474	27.0
173.04721	1.5
175.00336	7.7
177.05632	2.0
179.03494	8.6
180.04193	7.3
189.05579	4.3
191.03502	100.0
192.03818	3.3
192.70775	1.5
193.05122	3.2
194.02179	3.2
197.04596	1.8
198.01581	1.8
203.03517	10.8
205.05066	2.4
208.03787	1.7
209.04465	6.8
221.04524	3.3
233.04504	3.6
243.02933	2.8
255.03041	2.9
257.04437	2.1
269.04617	3.9
273.07672	6.1
279.06406	2.0
285.04077	6.8
285.07730	2.0
286.08545	3.9
289.07397	1.5
297.07654	53.2
297.11053	2.5
298.07965	2.9
299.09103	1.8
314.07959	3.8
315.05161	7.0
315.08701	94.4
316.09018	4.4
327.08716	3.0
339.08688	3.6
345.09778	17.3
357.09802	1.4
399.10895	2.7
417.11890	7.5
435.12943	2.0
447.12949	54.8
448.13388	3.5
567.17261	22.9
567.24872	1.8
568.16846	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	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
59.01655	0.4
60.01715	0.3
61.98831	100.0
69.49958	1.5
71.01382	1.1
73.02944	0.7
83.01424	0.3
85.02957	0.9
85.27899	0.2
89.02475	0.5
95.01395	0.3
101.02456	0.6
101.51953	0.3
113.02431	0.6
123.04486	0.5
125.02399	0.4
128.95383	0.2
167.03549	1.4
273.07700	1.9
362.17294	0.3
435.12946	0.5
487.62219	0.3
505.33667	0.7
506.21326	0.7
506.33820	1.3
524.22656	0.5
524.35492	1.2
528.17706	0.3
592.44336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09766	0.3
57.03492	0.3
59.01378	5.0
60.01734	0.4
61.98829	100.0
65.39475	0.3
69.31836	2.4
71.01388	1.5
73.02964	0.3
76.08176	0.3
81.03438	0.4
84.81517	0.3
85.02976	0.5
89.02431	0.5
101.02452	0.7
113.02461	1.1
114.62456	0.4
116.92859	0.6
123.04534	0.4
125.02444	0.7
131.64191	0.3
163.25298	0.3
165.89484	0.3
167.03471	1.5
213.65282	0.3
239.66045	0.3
273.07712	2.0
435.13110	0.6
504.78653	0.3
505.34149	0.9
506.21649	0.8
506.34158	2.6
524.22864	0.3
524.35321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.3
61.98832	100.0
65.89108	1.4
70.31773	1.6
71.01379	4.1
71.53029	1.9
72.99294	1.4
73.04072	1.7
74.02504	1.6
76.51862	1.5
82.03011	1.6
89.02428	1.9
99.05644	4.4
101.02435	4.4
103.31786	1.5
106.06630	2.1
109.02940	1.6
113.02364	1.6
127.05131	5.3
128.03526	2.5
130.08740	25.2
135.04498	2.5
136.70450	1.5
137.02318	1.5
140.07162	2.4
143.04614	2.5
143.11974	1.5
145.02957	2.4
160.01625	4.3
168.08995	4.3
173.04544	1.9
175.04041	2.9
175.05453	15.2
177.01920	3.1
177.42500	1.8
199.18175	8.8
204.08165	4.6
211.13362	2.5
239.12154	1.5
243.17096	4.7
256.20221	4.7
459.22855	54.4
460.23303	2.6
503.25497	39.6
504.25623	2.2
506.34229	4.8
549.75311	2.3
566.26691	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	567.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.5
61.38852	0.8
61.98539	1.3
61.98833	20.2
69.32114	0.9
71.01370	3.7
72.99317	1.3
73.02935	1.3
75.00853	1.4
79.92294	0.8
81.03452	2.7
83.01388	3.0
85.02939	1.2
89.02455	3.0
93.03471	8.1
95.05027	0.9
98.20718	1.6
99.92607	2.6
101.02477	1.6
105.03471	1.2
109.02976	1.2
113.02409	1.5
114.93408	1.1
116.92863	28.7
117.92860	3.1
118.92670	2.9
118.99877	1.4
119.05014	3.0
121.02955	1.7
123.04511	2.4
124.01703	0.9
125.02453	2.6
131.01384	2.9
134.82417	0.8
135.04498	1.9
137.02402	2.9
138.03207	1.8
149.02441	16.9
161.02348	1.3
163.03940	2.3
165.01897	3.2
165.04053	2.6
166.02722	8.9
167.03490	7.1
173.02411	1.6
173.04456	0.9
175.00372	8.5
177.05518	1.4
179.03473	4.4
180.04295	5.0
189.05548	2.3
191.03510	100.0
192.03821	2.6
193.05014	1.9
194.02272	2.2
203.03520	11.0
205.05099	1.3
209.04572	1.1
221.04570	1.6
223.85342	0.9
233.04631	4.1
273.07608	2.8
279.60123	0.8
285.07626	1.9
286.08356	3.0
287.05371	0.9
297.07687	67.1
298.08035	3.3
314.08038	4.9
315.08774	12.6
316.08929	1.4
327.08603	2.4
329.13846	1.8
339.08841	4.6
345.09729	3.1
369.09720	1.4
378.08496	1.0
399.10919	2.2
417.12006	5.8
447.12961	44.4
448.13312	2.5
507.17575	1.1
521.26599	1.4
566.23370	1.5
567.16907	16.1
567.23792	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	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
59.01381	41.0
59.59601	2.2
61.98829	8.3
71.01390	28.7
71.28625	4.1
73.02946	8.1
73.97143	1.7
83.01391	4.6
85.02953	12.6
87.00887	2.7
89.02435	8.4
95.98138	1.7
98.78230	1.9
99.00919	1.9
101.02442	25.7
113.02446	9.0
119.03524	4.0
122.71958	1.7
150.55089	1.7
152.73444	1.7
159.03047	3.2
161.04544	8.3
169.07091	2.0
343.28598	6.8
433.28152	7.2
457.80667	2.1
505.33826	100.0
506.34113	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	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.4
60.01702	0.2
61.98833	100.0
63.64341	0.2
69.26792	0.4
69.27198	1.6
71.01398	0.5
71.81638	0.2
73.02961	0.2
85.02970	0.2
89.02479	0.5
94.69964	0.2
101.00730	0.2
101.02467	0.4
113.02451	0.3
116.92845	0.2
132.47684	0.2
151.05141	0.2
155.41678	0.2
160.01648	0.4
161.02107	0.4
175.04097	0.5
203.48750	0.2
205.44540	0.2
505.34009	0.2
506.34366	0.3
566.27002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11948	0.1
53.14325	0.1
59.01382	1.0
61.98834	100.0
69.27198	0.5
69.27626	0.7
71.01398	0.2
73.02953	0.2
85.02962	0.2
89.02467	0.2
98.19871	0.3
101.02470	0.2
113.02483	0.2
144.94080	0.1
149.04503	0.1
207.39169	0.1
247.98277	0.1
410.58652	0.1
421.51147	0.1
505.33755	0.3
506.27545	0.2
506.34436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23792	0.7
54.36653	0.8
55.86086	0.8
57.03446	1.9
58.00591	1.4
59.01379	32.2
60.13155	0.8
61.98536	1.2
61.98830	16.1
67.01881	1.9
69.03435	1.2
69.19518	7.0
71.01379	12.6
72.99290	2.3
73.02947	3.7
76.92625	0.7
81.03476	0.9
83.01395	1.6
85.02963	5.9
87.00853	3.4
89.02430	9.2
92.59099	0.7
93.03450	10.6
96.96043	1.3
99.00882	1.0
99.92563	2.3
101.02443	5.6
103.03987	1.9
109.02943	3.4
111.04466	1.9
113.02419	2.5
115.00314	0.9
116.92860	24.1
119.03484	1.9
119.04958	1.2
121.02965	1.9
123.00837	1.6
123.04494	2.9
124.01628	2.3
125.02519	1.6
131.03477	3.7
133.01422	1.2
134.03711	0.9
135.04529	50.0
136.04866	1.5
137.02444	10.9
138.03192	2.8
139.04005	3.8
149.04579	5.6
153.01749	0.7
153.05542	3.9
155.03481	1.4
159.04462	1.0
161.02425	1.7
165.04004	2.7
167.03429	1.1
173.04541	22.9
174.03175	1.9
175.04005	1.8
177.05655	0.9
179.03545	1.8
184.60544	1.0
187.03969	2.7
188.04834	0.8
188.72382	0.8
189.01746	0.7
189.05632	4.6
191.05605	5.0
193.04999	4.3
202.06305	2.5
204.04341	1.0
217.05000	1.2
219.06635	3.6
220.07242	1.0
221.08194	1.3
227.07091	1.4
246.33461	0.8
252.81802	0.8
253.05141	1.1
271.06076	1.8
283.05978	0.9
293.04544	2.0
294.04773	1.9
295.05469	2.4
299.05341	1.0
311.05505	2.7
312.06299	1.1
313.06964	1.3
325.07172	1.3
326.07874	2.7
327.08667	3.3
340.09470	4.4
341.10269	6.7
353.10272	2.1
355.11783	6.9
356.12534	0.9
358.10513	2.2
359.07550	4.3
359.11389	2.5
361.16473	1.6
365.33264	0.8
371.11234	1.8
373.12909	7.4
386.13705	1.8
389.12354	2.1
391.10349	14.9
396.13684	1.1
401.16055	1.2
404.14755	2.7
405.15326	2.1
415.09207	1.0
419.17148	7.2
433.10745	1.2
505.17203	5.7
505.29874	2.6
519.18756	3.5
533.12787	1.0
535.18115	1.4
550.20538	8.4
562.30133	0.8
565.15802	5.5
565.22870	100.0
566.23431	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	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11826	0.2
55.01880	0.4
57.03449	1.6
58.00595	0.3
58.87625	0.2
59.01381	16.8
61.98832	2.4
68.99814	0.2
69.03448	0.6
69.05181	0.2
71.01383	7.2
71.44994	0.4
72.99295	0.7
73.02943	2.0
81.03449	0.2
83.01380	1.5
85.02952	2.8
86.00092	0.4
87.00855	1.7
89.02446	0.6
93.03439	0.2
95.01377	0.3
97.02950	0.5
99.00889	0.7
101.02444	3.2
112.01646	0.2
113.02435	1.6
115.04105	0.2
119.21605	0.2
123.04646	0.2
124.01675	0.5
125.02412	0.9
214.54802	0.2
215.94405	0.3
253.21581	0.3
267.23312	1.9
269.22107	0.3
269.24814	1.3
293.04593	1.5
311.05594	0.4
311.25885	1.7
313.23779	0.2
339.51077	0.2
341.06519	0.3
341.26950	1.6
359.28027	15.0
360.28229	1.0
371.28226	0.3
401.29105	0.9
413.08707	0.8
431.09598	0.3
431.26569	0.6
455.30283	0.5
473.31586	1.1
485.31363	0.5
503.24872	0.6
503.32242	10.7
504.32813	0.6
521.33289	32.3
522.33575	2.7
563.34351	100.0
564.34711	8.1
585.40997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70397	0.3
59.01384	7.0
60.01711	0.6
62.52271	0.4
71.01383	4.5
72.01720	0.6
72.99308	0.9
78.62663	0.4
81.46794	0.3
85.02952	0.7
87.00883	0.9
89.02441	3.6
93.03457	0.8
99.92588	8.4
101.02457	0.3
111.36312	0.4
113.02456	0.4
114.93427	0.3
116.92863	100.0
116.98268	0.9
117.03490	1.5
117.92886	3.5
118.03808	0.7
119.05051	2.3
125.02383	0.4
130.44565	0.3
131.01414	1.0
133.02939	0.6
135.04553	0.5
149.00905	1.0
149.02335	0.3
149.04672	0.3
151.00365	0.7
163.00362	0.6
163.04019	0.4
165.01894	0.4
173.02490	0.4
173.04456	0.4
175.00374	3.8
176.00745	1.0
191.05554	0.4
193.01482	0.5
269.04572	0.5
270.04971	0.5
271.05893	0.6
281.04410	0.5
282.04837	0.6
283.06042	2.1
284.03387	0.5
284.06366	1.3
285.06778	1.3
292.07123	0.4
293.04559	8.7
293.07748	0.5
294.04895	9.9
295.05331	6.7
296.06467	0.4
297.04034	0.7
297.07318	0.4
298.04816	0.4
299.05493	0.7
311.05478	2.6
312.05997	3.0
313.06583	2.6
323.05798	0.5
324.05817	0.5
325.06818	0.5
327.05038	3.6
339.05215	0.4
341.06885	0.5
342.07080	0.7
343.07983	1.3
353.06790	0.5
354.07074	0.4
355.07440	0.5
357.06052	0.9
358.06595	0.7
380.97049	0.5
384.07779	0.5
403.11447	1.4
413.08524	2.1
414.09125	5.7
415.09406	5.0
431.09888	1.3
432.10095	2.3
433.10379	3.4
445.11258	2.0
447.09277	2.9
547.02136	2.1
564.14441	4.3
565.14911	9.0
566.15588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03443	1.5
58.00589	2.5
59.01378	97.1
60.46309	0.6
61.98837	5.2
69.17043	4.9
69.17467	2.1
71.01379	56.4
72.99301	2.7
73.02947	9.0
83.01389	3.0
85.02956	8.0
87.00884	3.9
89.02443	100.0
90.02783	0.8
90.29680	0.6
95.01411	1.3
98.19946	1.6
99.00880	1.4
99.04516	0.7
101.02442	46.5
113.02441	10.1
115.06119	0.6
117.03475	0.7
118.71039	0.6
119.03491	6.0
125.02436	1.7
131.03497	32.4
135.04507	0.9
142.60153	0.6
143.03448	1.7
147.11848	0.7
149.04552	92.3
150.04921	1.5
156.51692	0.8
161.04544	3.4
175.03990	1.0
190.89883	0.7
191.05602	17.3
197.07021	0.6
226.52733	0.6
251.07649	1.6
274.05075	0.7
274.78394	0.6
293.04526	3.0
293.08768	1.2
311.09830	2.0
359.27924	1.0
413.08664	1.8
503.25284	1.1
503.32104	10.3
521.33118	4.2
563.13837	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	563.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03440	4.8
58.00591	2.1
58.67675	1.0
59.01379	58.6
61.98532	1.6
61.98832	19.7
69.03442	2.5
71.01387	27.4
71.52921	2.3
72.99304	4.7
73.02948	8.7
74.02472	1.1
83.01386	3.6
83.04999	0.9
85.02952	19.3
87.00877	4.4
88.98796	1.7
89.02439	25.9
93.03501	1.3
95.01391	1.5
95.05036	1.0
96.96008	4.4
97.02961	2.4
97.06602	1.6
98.95599	1.0
99.00861	4.8
99.92596	9.1
100.93390	1.4
101.02442	20.7
101.94118	1.0
109.02949	2.0
111.00857	0.9
113.02452	12.2
115.92076	13.7
116.92860	24.5
117.03509	1.4
117.92815	1.5
119.03491	4.2
123.04442	1.2
125.02435	4.2
125.09776	1.1
127.11282	1.4
131.03497	4.0
132.02156	1.7
133.02950	2.5
134.03738	1.3
135.04472	1.9
137.09727	2.5
143.03513	1.8
149.04556	10.7
151.04008	1.3
156.95938	1.2
160.01662	5.3
161.02345	1.4
161.04552	8.5
163.06070	5.5
163.11217	1.0
167.03470	3.8
171.10281	28.9
173.02307	1.2
173.04576	1.5
175.00476	1.0
175.03996	6.6
177.02031	1.1
179.05640	1.5
183.13918	3.9
191.05592	2.2
193.05063	2.0
197.04730	1.1
201.11374	2.7
209.11781	2.0
211.13405	9.8
216.17105	1.0
221.11819	2.1
225.12730	1.0
226.96407	1.1
229.14359	6.3
233.86057	1.1
239.12898	1.5
249.06119	1.6
253.09267	31.8
254.05794	1.4
264.12881	1.2
269.08206	0.9
278.97928	1.1
283.06149	2.5
291.19739	2.4
293.04514	11.6
309.20291	1.5
311.05603	3.6
318.00522	1.5
327.21744	100.0
328.21964	5.6
334.01111	1.0
341.06592	2.4
353.06549	1.4
359.27875	2.6
367.08615	2.9
371.20663	1.7
406.52243	1.0
411.85901	0.9
413.08823	6.5
431.09836	4.3
503.25085	3.4
503.32187	24.5
504.32297	1.3
521.33380	9.1
527.12244	4.3
538.30200	1.0
545.23352	1.1
563.14233	11.5
563.24353	3.8
563.32574	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	563.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74229	0.8
58.00583	2.8
58.10006	0.8
59.01379	85.3
60.01726	0.9
61.98822	3.7
62.62755	0.8
66.61322	0.8
67.35868	0.8
68.52592	0.7
68.99585	1.5
71.01384	53.1
71.52765	1.7
72.99307	3.4
73.02950	7.5
83.01390	2.7
85.02946	5.8
87.00869	4.6
89.02446	95.0
91.84959	0.8
96.96014	1.2
101.02448	41.1
103.42879	0.8
112.05362	0.7
112.98592	1.8
113.02455	9.6
114.93417	5.0
117.03460	2.5
117.24885	0.9
119.03487	5.8
125.02481	1.8
131.01385	0.9
131.03505	32.2
132.03964	1.0
132.21835	1.0
135.04509	0.8
135.22272	0.8
143.03505	1.3
149.04556	100.0
161.04543	2.3
166.78958	0.9
173.02379	1.7
173.04535	3.5
175.00354	3.1
191.05608	17.5
251.07542	1.5
269.04602	1.3
281.04468	2.1
281.08679	1.1
283.06052	4.8
293.04562	26.9
293.08499	1.8
294.05090	1.4
295.05923	1.6
311.05576	8.7
311.09738	2.4
323.05493	2.4
341.06702	1.9
413.08716	12.3
414.09280	1.0
431.09714	6.2
443.09668	1.0
473.10413	1.1
563.13867	14.1
563.22162	1.5
564.14240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85359	0.8
50.86083	0.7
55.01883	1.0
56.51756	0.9
57.03424	2.2
58.00584	3.2
59.01379	92.1
60.01711	1.0
60.99294	1.2
61.98830	6.8
63.02404	1.1
69.73929	3.4
71.01381	58.6
72.99302	3.7
73.02948	11.2
78.95877	0.7
81.03445	1.0
83.01402	2.3
85.02943	8.5
85.22110	0.7
86.00086	1.0
87.00880	7.3
88.98830	5.0
89.02444	95.6
90.02773	1.0
93.03455	1.0
95.01370	1.1
96.96021	1.8
97.02927	1.2
99.00861	1.0
101.02447	44.0
107.01398	1.6
113.02457	11.6
117.03461	3.4
118.38980	0.8
119.03508	7.3
121.02959	1.0
123.04504	0.9
123.84061	0.9
125.02442	2.4
128.03514	0.7
131.03502	36.7
135.04477	1.4
137.02472	1.4
143.03493	1.3
149.04555	100.0
150.03157	0.9
150.04907	1.9
151.04010	0.9
159.04477	1.8
160.01611	0.8
160.05244	2.9
161.02455	1.6
161.04543	2.4
161.05942	0.9
163.04022	0.9
173.04553	2.3
175.00311	3.9
175.03955	1.7
175.07590	2.0
183.04623	1.4
190.38008	0.7
191.03824	1.0
191.05597	18.7
225.05602	1.1
240.04227	1.0
251.07750	2.9
268.03702	9.2
269.04535	68.2
270.04843	3.1
271.36191	0.8
281.04520	1.5
283.06143	3.6
289.07172	1.3
290.07483	0.9
293.04562	24.4
294.04651	1.0
311.05646	5.7
311.09811	2.7
314.11621	1.1
323.05627	2.4
329.13916	10.2
335.05191	1.2
341.06497	2.7
353.06622	1.4
357.06131	0.9
413.08679	12.5
414.08740	0.9
431.09790	4.6
503.24408	15.2
521.29779	1.4
563.14056	32.8
563.24414	3.1
564.14191	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
57.01670	0.4
57.03430	0.4
59.01379	12.7
61.98832	2.9
64.23898	0.4
67.99689	0.4
71.01385	5.6
72.27840	0.4
73.02945	1.2
85.02943	1.6
87.00865	0.6
88.98801	0.4
89.02442	4.3
93.03440	1.1
98.19892	1.2
101.02435	1.4
107.01363	0.5
113.02439	1.2
117.03458	13.7
125.02510	0.6
131.01357	2.1
135.04565	0.6
137.02403	0.6
145.02985	0.4
149.02370	0.7
159.04456	0.7
160.01698	0.5
161.02490	2.1
163.00331	0.5
163.03986	2.3
172.97296	0.5
173.02452	5.5
175.00351	8.5
175.01877	0.6
175.02524	0.5
175.03838	0.6
191.03528	0.8
193.06648	0.6
203.03574	0.5
237.05522	0.6
239.07179	0.7
249.05682	0.9
265.05164	0.5
269.04520	4.7
281.04501	4.7
282.05280	1.5
283.06085	11.0
284.06256	0.6
285.03946	0.5
289.06964	0.5
293.04547	100.0
294.04919	4.6
295.06088	1.3
304.67963	0.4
311.05603	27.5
312.05957	1.3
314.04257	1.6
323.05615	1.8
335.05527	1.4
341.06522	3.1
353.06726	0.7
413.08752	45.5
414.09128	2.7
431.09714	1.8
443.09750	5.4
503.24936	0.9
503.31970	0.9
563.14050	37.5
564.14453	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	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36471	0.7
58.00578	1.9
59.01381	25.5
68.28123	0.7
69.31391	3.4
69.31803	2.2
71.01381	11.4
85.02965	1.1
89.02453	9.1
95.94415	0.7
98.19930	1.6
117.03465	14.6
131.01369	3.6
161.02397	1.4
163.00322	0.8
163.04005	1.6
173.02434	6.5
175.00360	14.4
176.00714	0.9
186.89647	0.7
221.05945	1.0
237.05443	0.9
249.05542	1.5
251.74635	0.7
265.05008	0.9
269.04468	3.5
276.50812	0.7
281.04584	4.4
282.05252	2.3
283.06067	6.8
293.04568	100.0
294.04916	6.7
295.06171	2.6
311.05600	10.5
312.05890	0.9
314.04535	1.7
323.05606	4.3
335.05539	1.8
341.06488	4.5
413.08777	49.4
414.09036	4.0
431.09955	2.3
433.12277	0.8
443.09799	2.6
481.06192	0.9
517.49878	0.7
563.14081	49.1
564.06396	0.8
564.14648	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	563.1407
Annotation	Apigenin 7-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01860	0.6
57.03449	1.1
57.99601	0.5
58.00588	1.4
59.01380	30.5
60.99297	1.3
61.98832	2.1
69.29913	3.0
69.30327	1.6
71.01379	16.5
72.99306	1.4
73.02950	1.4
78.11217	0.5
79.01868	0.5
83.01392	0.9
85.02949	5.1
87.00880	1.9
88.80236	0.6
88.98801	6.6
89.02444	12.2
96.96004	1.3
97.02965	0.6
99.00880	0.8
101.02439	3.8
109.02950	2.4
113.02426	3.1
114.93408	0.9
115.00364	0.6
117.03467	4.6
119.03508	0.6
121.02978	0.8
123.04537	0.8
125.02437	1.3
131.01375	3.4
131.03490	1.0
137.02412	0.7
149.00809	0.7
149.04500	0.7
150.03165	0.8
150.05632	0.6
159.04504	1.6
160.05295	1.6
161.02435	0.7
161.04549	0.6
161.05940	0.6
163.00432	0.7
163.04028	1.2
173.02429	2.3
173.04570	0.8
173.06047	0.6
175.00357	11.2
175.01906	0.8
175.02548	0.8
175.07652	0.8
177.05585	0.6
187.07686	1.0
191.05589	0.8
193.06403	0.6
229.94724	0.6
237.05658	0.8
241.05028	1.3
253.04980	0.7
255.06612	0.6
265.04926	0.7
269.04593	4.4
269.07083	0.8
281.04581	3.2
282.05255	2.2
282.08261	0.6
283.06088	6.0
284.06165	0.8
285.04034	1.5
293.04550	100.0
294.04926	4.8
295.06091	3.6
295.09708	1.7
309.04092	0.9
311.05557	11.7
313.10635	1.6
314.04312	2.0
323.05554	4.4
326.11484	1.3
329.10312	1.2
329.13959	4.3
335.05746	3.3
335.09192	0.7
341.06635	4.5
341.13641	1.0
344.12537	2.7
353.06516	0.8
359.14923	6.6
393.71179	0.6
413.08762	24.8
414.09079	2.2
431.09778	3.8
443.09698	2.6
447.09293	1.6
503.19202	15.2
503.27112	1.0
504.19403	0.9
519.24200	0.7
521.20251	7.8
563.14020	72.1
564.14313	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	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.0
59.01383	32.2
60.21152	0.6
63.73431	0.6
67.80118	0.6
71.01388	18.6
71.28799	1.1
71.86552	0.6
72.99300	2.6
85.02956	2.2
87.00868	2.0
89.02451	17.4
93.05152	0.6
96.84419	0.6
101.02467	1.1
103.00433	0.8
109.14084	0.5
113.02454	1.3
113.33997	0.7
117.03461	6.0
119.03477	0.7
131.01387	1.7
131.03424	1.2
149.00972	3.7
149.04588	0.8
159.04486	0.8
161.02365	0.7
163.00304	0.7
173.02469	2.3
175.00395	8.2
177.54593	0.7
206.52484	0.6
223.10075	0.7
237.05614	0.7
243.21889	0.6
265.05002	0.8
269.04462	4.1
281.04514	4.3
282.05237	4.0
283.06146	13.9
284.06512	0.9
293.04578	100.0
294.04968	5.6
295.06180	2.4
307.06171	0.9
311.05637	24.8
312.05923	1.1
314.04352	2.6
316.97208	0.7
323.05612	6.0
335.05566	1.9
336.50317	0.8
341.06635	8.1
353.06558	1.2
355.08459	0.9
376.09586	0.7
413.08783	53.4
414.09177	2.9
423.11066	0.7
431.09851	26.2
432.10220	1.6
443.09601	3.0
563.14111	47.6
564.14441	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	563.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.7
59.02516	0.8
61.98824	1.7
66.68961	0.7
69.27299	6.0
71.01389	4.2
72.99323	2.1
77.03951	1.7
79.01898	1.1
86.78474	0.9
87.00886	3.0
88.98827	0.9
89.02454	3.5
92.67311	0.7
93.03458	2.4
105.03458	1.0
117.03468	9.6
121.02945	2.2
131.01337	0.8
135.04539	1.7
149.00906	7.1
149.02025	1.1
149.02441	1.0
154.99883	2.8
159.04529	1.7
161.02376	3.8
163.00357	0.7
163.04008	2.8
165.01961	1.8
173.02490	1.9
173.04512	0.9
175.00403	4.0
177.58482	0.7
191.03526	1.4
203.03563	1.3
203.94679	0.9
239.07060	1.8
268.03696	1.5
269.04471	4.2
281.04501	5.5
282.05304	2.2
283.06116	47.3
284.06534	1.9
293.04556	34.5
294.04858	0.9
295.06177	2.8
311.05597	76.4
312.05960	4.5
314.04218	1.5
323.05573	6.0
341.06598	15.3
342.07144	1.0
353.06793	1.9
413.08752	16.3
422.28812	0.9
431.09799	100.0
432.10165	5.9
563.14063	13.0
564.12640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74712	1.1
54.28259	0.9
55.52373	1.0
58.47472	0.8
59.01378	15.9
61.98825	1.4
69.51176	5.9
69.51806	1.2
71.01386	8.6
72.99318	1.6
73.02920	1.3
87.00874	2.8
88.98817	0.9
89.02444	8.2
93.03454	1.6
96.95960	1.7
98.95583	1.0
101.02428	2.2
109.02922	1.6
111.00922	0.9
111.93251	1.0
115.00347	0.9
117.03465	10.5
119.05013	1.2
121.02938	2.2
125.02440	1.5
131.03471	2.1
135.04556	2.0
137.02393	1.4
149.00873	3.2
149.02391	1.7
149.04544	3.3
151.03973	1.1
159.04501	2.0
161.02431	3.8
163.03978	3.5
164.92627	1.2
165.01801	1.1
172.56743	1.0
173.02402	2.1
173.04521	2.0
175.00378	3.7
191.03432	1.1
199.92957	0.9
203.03384	1.1
212.19548	1.1
268.03726	1.8
269.04517	2.5
281.04510	3.5
282.05209	2.4
283.06110	41.0
284.06467	1.4
293.04544	41.4
294.04843	1.3
295.06113	1.4
311.05597	84.3
312.05780	4.4
314.04459	1.2
323.05563	5.5
335.05472	1.3
341.06656	8.8
353.06393	1.1
383.07684	3.2
413.08740	19.0
431.09799	100.0
432.09958	5.6
473.11401	1.3
483.53888	1.2
563.01123	1.2
563.14050	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	563.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68401	2.3
59.01383	12.2
70.63891	2.9
70.64239	4.8
72.99302	5.0
87.00886	4.8
93.03464	2.4
103.00378	3.2
112.98828	6.1
114.93447	3.3
117.03458	7.5
131.62752	2.1
135.04541	3.6
149.00960	21.9
149.02176	2.8
151.13805	2.0
160.13480	2.1
161.02391	5.8
163.03983	3.1
203.03688	2.3
221.03056	3.2
243.06833	2.8
251.04150	6.3
268.03763	3.1
269.04608	2.8
281.04520	5.1
282.05215	3.8
283.06131	42.5
284.06473	3.0
293.04663	6.9
295.06058	3.4
297.07632	5.6
311.05615	86.5
312.05905	4.9
323.05630	8.5
325.07166	4.4
327.04916	2.5
341.06711	28.4
344.12604	3.0
353.06595	11.1
359.14944	6.4
383.07840	5.1
413.08762	5.0
431.09842	100.0
432.10117	6.9
443.09692	2.8
529.27478	2.2
563.14136	32.0
564.14252	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75356	0.8
57.03443	2.9
58.00596	2.6
59.01384	84.8
60.99305	1.6
61.98835	4.5
63.79881	0.9
69.24077	4.2
69.24501	4.7
71.01388	61.5
72.99318	4.9
73.02956	10.2
80.96071	0.9
83.01390	3.2
83.82074	1.0
85.02959	8.5
87.00905	5.2
88.98822	7.6
89.02452	100.0
93.03477	2.0
96.96009	3.0
98.20674	1.9
99.00896	3.5
99.04510	1.5
101.02453	45.5
109.02949	1.8
113.02444	9.9
119.03500	7.8
125.02449	11.7
131.03517	30.7
133.03024	1.5
135.04527	3.8
137.02444	5.1
143.03487	1.6
149.04565	98.6
150.04909	1.4
151.03990	2.0
156.51328	1.0
161.02437	2.6
161.04567	3.3
173.04535	3.1
175.00282	1.0
175.03975	1.4
175.11317	0.9
177.01904	1.3
179.03607	1.0
191.05627	16.1
229.05083	1.3
255.02888	1.3
271.02457	2.6
271.05624	1.0
273.07605	1.3
278.23618	1.0
281.08829	1.0
293.04623	1.6
293.08704	1.0
299.02005	3.3
311.10059	2.7
318.54361	1.6
326.55774	1.1
333.56549	3.1
334.07132	1.3
367.10193	1.8
409.09244	1.8
435.10858	1.3
507.36893	0.9
519.24677	1.3
561.14520	3.1
561.22961	1.2
561.66125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87505	1.0
59.01377	7.0
60.98945	1.5
69.18179	10.1
69.18582	2.4
72.99309	3.7
77.03995	1.5
87.00401	1.2
87.00861	6.9
87.22351	1.2
93.03472	2.0
95.71883	1.2
103.00341	4.3
112.58537	1.2
112.98788	3.9
117.03444	8.1
121.02950	2.9
123.65717	1.1
130.99878	1.4
135.04460	2.0
137.06482	1.2
149.00919	23.6
161.02415	6.9
163.04007	3.2
168.22061	1.2
191.03439	2.0
212.82053	1.1
221.02950	4.2
239.07262	1.8
251.03966	7.1
268.03705	2.7
269.04453	4.1
281.04465	4.1
282.05225	1.8
283.03018	2.4
283.06100	45.1
284.06293	2.1
293.04593	3.2
295.05997	2.5
311.05597	100.0
312.05847	4.9
323.05554	7.0
341.06601	27.2
342.06851	2.3
353.06549	5.1
359.14990	3.8
383.07617	3.2
395.07419	1.7
413.08710	4.6
431.09790	91.9
432.10471	6.2
533.18500	1.5
563.14453	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	561.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.8
57.03447	90.4
59.01380	100.0
61.98811	2.1
65.90481	1.1
71.01373	14.4
72.99289	2.0
73.02943	4.0
75.00871	22.4
81.03479	1.7
83.01397	2.7
85.02958	6.0
87.00861	1.3
89.02454	2.9
93.03448	1.4
98.19873	3.8
99.00875	2.4
99.04516	87.2
101.02436	29.9
112.33913	1.4
113.02469	4.2
125.02444	50.4
127.75990	1.4
129.01953	8.0
135.04546	2.5
143.03500	6.2
147.03011	11.7
161.04578	4.1
163.04068	1.5
165.04037	50.4
173.04510	3.9
191.05565	3.2
206.18283	1.6
207.05147	1.4
217.53453	1.3
239.25719	1.3
249.06100	2.7
269.10336	10.7
289.07129	3.8
311.11386	14.7
327.05057	5.1
342.10605	1.4
351.14270	2.5
413.14450	18.1
447.08722	2.7
561.18311	46.0
562.18939	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	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
58.00584	4.5
59.01380	98.1
61.98830	31.5
68.99590	2.7
69.75341	6.6
69.75752	3.8
71.01379	64.8
72.99300	6.3
73.02937	9.9
75.00865	1.8
83.01384	4.3
85.02953	12.9
85.27103	1.5
87.00880	8.8
89.02445	98.2
93.03442	2.4
95.91996	1.7
96.96047	3.0
97.02948	1.9
98.20654	1.7
99.00904	2.2
99.04494	3.7
101.02442	44.7
109.02947	1.6
112.98570	3.7
113.02438	14.9
119.03510	6.9
125.02446	5.7
128.03560	2.0
131.03506	29.1
132.02167	5.7
134.03741	6.3
149.02556	2.9
149.04558	100.0
160.01668	21.7
161.04579	4.1
164.04803	2.9
171.10239	2.5
173.04630	2.2
175.00372	2.1
175.04004	27.5
190.02733	3.3
191.05600	17.9
193.05031	5.7
193.06616	1.9
205.05049	8.4
206.05807	1.5
209.11842	2.8
223.06111	3.1
233.48671	1.9
265.07217	3.1
311.09869	5.3
367.10318	8.0
476.25415	2.4
501.23761	2.5
501.30280	9.1
519.31787	2.8
561.33337	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	561.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	9.6
57.03450	95.4
59.01383	100.0
59.15740	1.4
61.98808	1.8
71.01388	11.0
71.20658	2.7
73.02936	4.4
75.00877	27.3
83.01370	3.1
85.02970	8.8
87.00877	2.6
89.02425	3.2
93.03472	1.6
99.00890	1.8
99.04525	90.2
101.02449	31.5
102.16348	1.5
113.02453	6.3
125.02452	47.7
129.01936	8.1
142.81007	1.5
143.03493	7.8
147.02992	12.3
159.03017	1.6
161.04544	6.9
165.04037	54.9
173.04552	4.1
191.05548	3.1
249.06190	3.3
269.10199	10.2
311.11404	15.4
327.05133	7.6
351.14566	2.1
389.37042	1.7
410.11102	1.6
413.14609	14.7
414.14850	1.7
431.21155	1.6
447.09485	4.9
561.18274	58.5
561.24817	2.1
562.18890	3.7
580.40240	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	559.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65031	0.7
61.98841	1.7
87.03333	0.8
94.31109	0.8
95.45021	0.8
95.78213	0.8
96.95986	2.3
99.92588	67.0
100.92575	1.9
100.93334	1.2
115.90844	0.8
115.91321	1.3
115.92084	24.0
116.92863	97.2
117.92869	3.8
127.95720	0.8
169.93092	2.5
171.94696	1.1
188.87712	0.7
229.42935	1.1
390.14996	2.9
391.15652	1.4
436.22314	0.8
444.19778	1.2
459.22067	2.7
463.21716	1.0
482.43945	1.0
526.20288	0.8
526.27515	3.1
541.30005	2.7
546.24341	1.1
559.30945	100.0
560.31158	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	559.3262
Annotation	Montanin
Peak:m/z	Relative Intensity
50.21832	3.3
57.03444	7.7
59.01385	47.3
61.98833	90.5
64.53471	2.9
69.03427	3.3
69.29501	4.0
69.29905	23.9
71.01386	19.2
73.02943	6.6
83.01398	3.3
85.02951	10.8
87.00905	15.9
88.98802	3.6
89.02458	10.5
93.05210	3.3
94.98127	8.9
96.96014	4.3
99.00916	4.8
101.02451	13.2
106.58343	3.0
107.33556	2.9
109.02969	3.0
109.06618	3.2
113.02453	13.4
116.92925	3.0
119.03539	5.2
119.05037	7.2
125.02464	6.5
145.02957	7.5
155.05876	3.3
163.04005	6.8
191.03482	7.2
239.61018	3.5
267.07214	11.0
397.18579	3.4
407.07681	5.0
413.10913	12.4
499.32745	7.2
523.35126	30.6
559.13818	7.3
559.32635	100.0
560.32831	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	559.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	91.2
59.01384	96.3
61.24771	1.3
61.98818	5.2
69.51997	10.2
71.01385	33.3
72.99312	2.5
73.02955	12.8
80.96507	4.0
81.03458	4.3
83.01389	8.4
85.02959	17.1
87.00876	3.5
89.02452	4.3
92.88339	1.3
99.00868	4.0
99.04527	100.0
101.02451	40.5
103.03999	2.0
105.01968	2.2
109.02985	1.7
109.86661	1.7
113.02469	11.7
125.02460	52.7
129.01929	1.6
137.86398	1.3
141.21329	1.5
143.03491	8.9
151.81445	1.4
159.03009	3.7
161.04562	16.7
178.41777	1.2
208.74934	1.6
251.09372	1.6
269.10355	25.0
289.07053	1.4
292.40482	1.6
328.32938	1.4
397.15030	19.6
415.16122	83.7
416.16394	4.5
457.17505	7.3
515.21112	1.8
523.31061	2.6
559.20679	17.0
559.29071	2.5
560.20282	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	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.46027	0.1
61.98830	100.0
62.98533	0.1
69.27736	0.6
69.28142	0.2
78.95915	0.6
87.10185	0.1
152.99599	0.3
163.93321	0.1
224.06863	0.1
255.23265	1.5
256.23587	0.6
257.23999	0.3
258.24295	0.2
475.38306	0.2
480.30835	1.0
481.31528	0.2
483.31790	0.7
557.32385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
59.01381	25.6
61.98828	21.3
69.03476	1.2
70.37624	2.4
70.37935	1.1
71.01381	7.8
72.99303	1.8
73.02944	4.7
74.02464	1.5
78.76258	1.0
78.95902	1.0
81.17724	0.9
82.68483	1.1
83.01404	1.4
85.02952	4.3
87.00894	5.2
87.44800	1.0
89.02433	3.7
101.02473	7.2
107.26059	0.9
109.02959	5.9
113.02451	3.9
113.06142	0.9
114.77686	1.0
119.03485	2.6
123.04528	6.3
125.02429	2.3
135.04494	1.7
137.02538	1.1
141.06610	1.8
150.03204	2.7
151.03983	3.6
161.04527	1.3
162.47678	1.3
164.04254	1.0
175.03978	2.6
187.03967	1.1
189.03973	0.9
197.11807	2.0
199.04010	2.4
211.03940	3.4
213.05502	3.7
214.02692	1.3
225.05727	1.2
227.03552	5.9
228.04251	3.9
242.02145	1.5
243.02951	11.3
255.02960	37.8
256.03717	12.7
257.04556	6.7
267.02942	1.2
269.04535	4.6
283.02451	6.3
284.03128	1.9
285.04080	17.0
297.04041	5.2
389.06839	1.3
407.07681	100.0
408.08038	7.5
409.08975	1.1
427.23279	8.8
437.08481	3.5
499.30154	1.3
559.12219	8.1
559.31250	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	557.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75389	3.3
52.93153	3.1
55.44545	3.3
57.03445	4.0
59.01386	50.8
60.99318	3.7
61.98837	100.0
65.82331	3.2
71.01385	20.2
71.52383	3.7
72.79578	3.3
72.99331	4.0
74.01917	3.2
74.02419	3.3
75.73128	3.7
77.86705	3.1
83.01363	4.0
85.02956	12.0
87.00864	12.6
87.92348	4.1
88.98800	8.5
89.02425	9.7
93.03474	8.8
96.96010	4.3
99.04527	5.2
101.02442	12.7
109.02924	17.2
112.08739	3.4
113.02457	6.8
116.92864	4.0
123.04488	7.3
125.02467	5.4
135.04535	4.2
144.04549	4.9
149.06059	3.8
151.03984	6.8
161.02402	4.9
161.04538	5.2
175.58217	3.3
175.97617	4.0
180.22835	3.4
189.01964	11.0
191.03416	4.8
203.03462	3.7
217.01360	9.1
231.02963	5.6
295.05911	5.4
335.22330	10.8
340.37793	4.3
341.06659	25.3
353.06598	7.7
447.10672	11.5
521.33032	29.9
557.13623	4.5
557.31219	47.3
558.32550	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	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68523	0.6
55.01887	0.7
57.03440	1.5
59.01364	2.5
61.98835	4.0
69.03462	7.9
70.37345	1.2
70.37714	1.6
71.01374	1.3
71.05016	3.1
75.75989	0.6
80.02670	2.3
81.03437	1.8
83.01389	1.8
83.05029	6.7
84.02143	1.7
88.98798	2.0
91.08299	0.7
95.04980	1.3
97.06555	1.2
108.02160	0.8
112.45944	0.6
113.02443	0.8
123.08150	2.4
125.09734	4.8
137.09628	0.9
143.10753	3.6
149.09711	0.9
151.11267	4.8
153.12834	0.9
161.09718	9.6
161.12569	0.7
163.11264	5.9
165.12819	2.4
167.10516	0.7
169.11050	0.6
179.10782	25.6
185.11772	1.0
191.10802	1.1
195.10297	6.1
197.11829	83.2
198.12122	2.3
209.11819	66.0
210.12149	1.8
223.09744	3.0
227.12866	8.9
241.10799	11.6
242.11172	1.1
253.09265	1.1
297.13483	5.3
315.14502	16.0
321.20679	2.6
463.26923	1.6
507.26004	1.6
525.27045	100.0
526.27362	9.1
538.75049	0.8
557.30249	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	557.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97905	0.9
57.03439	1.4
57.29172	0.9
59.01380	8.7
61.98829	21.1
63.68422	1.1
68.29210	1.0
69.72973	3.5
69.73379	1.8
71.01373	2.9
83.01407	1.5
87.00863	2.0
98.20625	1.8
101.02463	1.5
109.02950	1.2
123.04465	1.2
131.61447	0.9
137.02325	1.3
151.50819	1.1
194.98085	1.0
197.11777	1.0
302.57083	1.1
313.23657	2.0
359.28024	100.0
360.28436	6.0
494.20477	1.1
557.30969	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	556.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45971	0.5
60.97497	0.4
61.98831	100.0
70.51740	0.7
70.52068	0.8
75.80569	0.5
76.67599	0.4
119.30387	0.5
133.86998	0.4
203.94356	0.4
303.83423	0.5
385.35098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	41.3
60.77011	26.4
61.98817	74.4
71.50465	23.8
77.88197	20.9
84.12615	23.8
99.61181	23.2
101.02441	26.0
196.74391	26.6
229.20313	31.9
308.33801	24.2
329.13974	72.9
341.13751	22.9
497.48111	22.4
557.23328	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	557.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74628	1.1
57.03450	97.1
59.01381	100.0
59.30042	1.2
61.98836	15.8
69.29388	10.1
71.01383	12.3
73.02946	4.0
74.02464	1.2
81.03454	2.4
83.01379	4.0
85.02956	6.4
89.02444	2.6
98.20623	1.9
99.00877	1.5
99.04524	90.7
101.02447	31.2
108.21975	1.3
109.02949	1.5
113.02438	4.6
125.02444	33.0
137.02477	1.5
139.62553	1.2
143.03497	5.8
144.04536	1.4
161.04533	4.8
165.05577	1.9
167.03400	1.5
188.03534	2.1
230.75955	1.2
255.02998	1.8
269.10229	10.5
283.02475	1.9
303.36996	1.3
311.11362	9.4
338.08548	1.4
351.14410	2.9
351.20160	3.8
359.24371	2.0
391.07980	1.2
407.07886	1.7
413.14532	34.1
414.15030	1.4
435.07321	1.6
447.07516	1.3
448.07379	1.1
455.15564	6.8
497.26010	3.5
509.04993	1.2
557.18488	7.5
557.30939	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	556.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15527	0.7
52.53915	0.7
59.01363	0.7
61.98830	5.9
78.28779	0.6
78.95905	21.6
80.96513	2.0
83.85806	0.6
95.33132	0.6
96.96018	1.0
98.19841	1.5
125.09726	0.9
132.07375	0.7
141.60243	0.8
152.99664	3.5
164.98665	0.8
168.04295	2.4
183.92334	0.7
224.06921	7.8
242.08003	2.2
281.24850	100.0
282.25177	4.8
476.33392	0.8
506.32489	63.2
507.32632	4.5
556.28973	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	556.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84246	0.6
61.98830	100.0
69.26329	0.7
71.13543	1.2
90.57327	0.7
95.95918	0.7
111.95779	0.7
121.55750	0.7
174.00423	0.7
258.32385	0.7
262.09750	0.8
278.35101	0.7
312.56119	0.9
314.66193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81978	0.5
56.58811	0.5
59.01392	0.7
61.98830	100.0
63.90687	0.6
68.14284	0.5
70.53294	1.3
77.29696	0.5
91.40865	0.5
98.19984	0.7
172.73470	0.5
424.62344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.22664	0.5
59.01367	0.8
63.96258	0.6
71.01384	6.5
72.99338	0.8
73.02952	1.6
78.98592	5.8
79.95742	8.8
80.96520	65.0
81.03423	0.7
83.01395	0.7
85.02958	2.1
87.00871	2.0
94.98085	15.5
96.95998	0.7
97.02959	1.3
101.02447	2.6
106.98093	3.3
114.92073	0.6
122.97595	2.7
125.02454	2.3
129.06445	0.7
134.97591	4.4
136.99174	1.4
148.99115	5.7
152.98637	4.7
164.98628	11.9
173.73279	0.6
206.99648	2.2
225.00745	15.7
255.23311	2.1
299.04364	2.5
329.97797	0.6
372.74103	0.6
518.13562	0.6
555.28418	100.0
556.28699	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	556.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	7.9
71.20238	2.2
72.99314	1.3
74.02472	18.6
86.02466	6.4
86.06124	1.9
87.05637	3.0
96.99886	2.8
97.04082	2.3
99.05639	15.7
101.07185	3.5
102.05598	4.2
104.45168	1.3
109.04086	2.6
110.00717	3.3
111.05642	1.5
112.04079	1.8
118.37741	1.2
125.03008	11.7
126.03832	17.1
127.05115	2.0
128.03542	35.0
128.05420	1.4
135.04588	2.4
135.05634	4.6
137.07196	1.3
141.06677	1.9
141.25301	1.3
143.04619	43.0
145.06229	2.1
146.04584	4.0
151.18042	1.2
153.06657	1.9
166.09842	3.2
167.04619	1.5
167.08234	3.0
170.03320	1.3
173.04521	3.4
179.04689	13.7
192.07735	1.4
197.11115	7.8
210.08812	12.6
222.10788	2.5
239.13354	6.7
254.07799	19.9
272.08838	19.8
283.12442	8.1
353.08862	2.4
353.58813	1.4
427.17615	4.2
494.22571	1.2
512.22791	4.4
514.19751	1.7
538.20911	14.4
539.20056	2.1
556.21942	100.0
557.22388	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	555.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	13.8
59.01381	100.0
60.99323	13.7
61.98835	83.4
65.76661	12.4
69.75635	65.5
71.01370	81.7
72.99295	12.5
73.02917	14.5
75.00870	15.0
76.96493	12.8
85.02975	25.9
88.98809	44.9
89.02465	44.7
97.43452	14.6
98.19950	17.9
101.02444	43.3
109.02935	25.0
113.02479	20.4
121.02911	13.3
123.04527	24.6
135.04523	18.3
138.01465	12.3
139.12366	11.4
149.02341	26.3
150.03233	99.4
154.52196	11.7
157.96994	13.2
163.05974	15.3
165.04231	20.1
165.05537	84.8
173.04424	14.1
191.05608	15.6
195.06595	46.4
251.09306	13.7
254.22551	13.2
270.68777	14.0
359.15024	23.8
431.67068	16.5
507.20483	64.4
555.20233	96.6
555.27795	69.8
556.20801	47.9
566.49933	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	555.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
61.98833	7.2
64.95644	0.8
71.01376	2.1
71.19107	1.0
71.19451	0.9
73.02937	1.0
75.00883	1.6
83.70049	0.8
85.02930	0.9
87.00826	0.8
88.98803	3.0
89.02435	2.1
89.39237	0.7
93.03461	4.1
93.68144	0.9
96.95965	1.0
98.20592	0.8
101.02438	1.7
108.02158	2.6
108.63990	0.7
109.02956	11.0
117.03439	1.1
119.05013	0.9
121.02944	5.2
122.03757	10.2
123.04539	5.4
125.02483	1.2
129.10329	1.2
132.02200	1.8
133.02974	6.0
134.03697	1.3
135.04517	4.2
136.01701	1.4
137.02455	1.6
145.02936	2.5
147.04506	1.7
149.02437	21.3
150.03227	86.7
151.04027	15.1
159.04510	4.3
161.02437	1.0
163.04021	1.9
164.04800	5.2
165.05563	76.4
166.05992	1.9
173.04478	2.3
173.06062	4.7
177.01801	1.3
177.05649	0.9
180.04305	4.2
181.05055	10.0
188.04730	0.9
189.05531	2.3
191.07166	0.8
195.06616	45.2
196.06956	1.5
203.07202	1.1
213.47316	0.8
240.04294	0.9
241.05026	7.1
255.06682	2.6
258.16974	0.7
267.06650	2.4
269.07962	1.4
281.08035	1.7
295.06146	0.9
295.09409	1.4
297.07639	4.9
298.08163	1.5
299.09338	5.8
299.79053	0.8
311.08957	1.2
313.10788	6.2
329.10281	3.0
344.12607	11.4
345.13239	2.7
357.13446	0.9
358.13977	2.2
359.14990	30.9
360.15335	1.7
373.16574	1.0
401.15866	1.3
431.14285	1.0
443.15213	1.9
447.14285	2.3
461.15836	6.4
477.15573	3.0
492.17899	1.6
507.20227	100.0
508.20737	7.4
537.34430	0.8
555.22321	11.0
555.29596	1.8
556.22070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83723	0.6
59.01149	0.8
59.01384	7.8
60.99300	0.8
61.98827	18.1
62.25779	0.7
69.67454	2.7
69.67863	1.3
71.01369	2.0
72.99297	1.7
73.02936	1.1
75.00866	0.9
78.95895	1.6
81.72317	0.7
85.02973	1.5
87.00859	0.8
88.98818	4.7
89.02446	1.4
93.03462	2.7
93.10840	0.7
95.01398	1.2
95.05034	1.5
96.96014	15.7
96.96967	2.5
98.19902	1.4
101.02423	2.3
107.04910	0.8
108.02198	1.0
109.02950	1.6
114.93353	1.6
116.92863	1.5
121.02961	8.5
122.03746	11.2
123.04514	0.7
133.02943	2.4
135.04526	2.3
136.01628	1.1
137.02513	0.8
145.02966	1.7
147.04579	0.9
149.02438	56.2
150.03229	66.3
150.25179	0.8
151.03680	1.3
157.23677	0.7
160.05351	0.9
160.20042	0.7
163.03984	2.1
164.03494	1.2
164.04781	12.5
165.05566	64.5
166.05907	2.0
173.05913	0.7
177.02048	0.8
179.07138	2.0
180.04332	3.7
180.07843	0.9
195.06618	42.1
196.06995	0.9
216.72452	0.7
220.36882	0.8
226.08559	1.5
241.08632	1.3
255.10234	1.1
268.10995	0.9
269.08371	3.5
269.11548	3.4
283.05927	0.8
283.09653	2.3
296.10541	1.7
297.11362	9.1
298.11707	1.5
299.09268	2.7
300.09961	1.1
303.48639	0.8
311.09210	3.6
311.12888	2.2
314.11588	5.9
315.12378	1.5
325.10687	1.1
326.11615	2.1
327.12244	1.6
329.10010	1.0
329.13916	16.6
341.13971	8.3
413.21680	1.4
431.15057	4.9
433.16986	3.4
447.14569	0.8
461.16306	1.4
462.16989	3.8
463.17661	2.1
477.19162	20.3
478.19943	1.4
489.19189	2.2
492.17953	2.1
507.20215	100.0
508.20477	8.7
555.22314	3.6
555.32843	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	555.2216
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
59.01382	49.4
61.98818	13.8
70.99788	12.1
71.01386	33.2
73.02950	6.7
85.02948	21.3
85.46794	4.9
89.02435	30.7
99.00884	6.3
101.02425	23.2
106.69386	5.1
109.02942	11.4
113.02460	13.7
115.00378	12.4
119.03460	9.6
119.05027	7.9
125.02455	8.4
131.30579	4.3
135.04503	6.8
149.04515	5.7
161.04535	5.7
163.03972	5.5
163.06169	8.8
165.05580	5.8
173.04556	7.6
191.05618	11.2
195.06535	5.1
195.82780	4.7
206.08235	8.9
407.19363	7.4
427.95276	6.9
519.24567	35.1
555.14667	7.6
555.22339	100.0
555.33008	9.2
556.22040	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	554.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01372	0.9
61.98829	100.0
69.30704	1.8
71.01385	0.5
85.30463	0.2
93.03517	0.2
125.66542	0.2
239.05103	0.2
323.31308	0.3
542.14783	0.2
546.24640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11092	0.3
59.01379	21.3
61.98839	2.0
69.22549	1.6
69.22980	0.9
69.94952	0.3
78.95905	17.4
94.49874	0.3
96.96957	0.4
102.44427	0.2
122.98487	0.6
129.47739	0.3
140.83232	0.2
152.99571	2.6
168.04303	2.5
224.06944	7.1
242.07945	1.3
255.23289	100.0
256.23596	4.1
288.41006	0.4
308.52805	0.3
480.30945	57.8
481.31192	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.7
61.98825	2.7
67.45246	0.4
70.37586	1.5
72.42051	0.4
78.62302	0.3
78.95905	23.3
87.87072	0.4
96.95990	0.4
96.96962	0.5
108.81416	0.3
118.62486	0.4
122.98549	0.4
142.33421	0.4
152.99565	2.3
168.04309	3.4
204.84265	0.4
224.06946	8.1
242.07883	2.0
279.23276	100.0
280.23633	4.8
310.30313	0.4
504.30951	65.9
505.31390	4.2
560.71222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35599	0.3
59.01381	1.7
61.98830	2.4
70.74380	0.8
78.95911	5.4
84.78272	0.3
88.08876	0.4
116.53671	0.4
133.22197	0.4
152.99580	0.9
168.04301	1.7
176.35091	0.4
188.07802	0.4
224.06979	0.9
242.07982	2.5
261.48074	0.3
271.46243	0.3
279.23282	100.0
280.23578	3.6
312.02551	0.3
504.30966	31.6
505.31213	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	553.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95161	33.0
61.98818	100.0
70.37330	70.2
93.81289	33.0
105.03101	36.1
109.58585	39.8
130.20515	34.5
257.76944	34.4
266.93176	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	553.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87431	1.6
59.01366	5.7
60.09290	1.7
61.98819	6.5
69.73752	1.7
71.51067	2.5
82.40253	1.7
85.41993	1.9
108.74545	1.9
112.58685	1.9
191.49530	2.0
219.90256	1.8
223.20924	2.2
374.13126	2.3
375.32697	2.1
403.32040	8.6
433.33163	9.2
475.37616	2.5
493.38968	100.0
494.38968	9.6
568.71490	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	553.2427
Annotation	Rubriflorin C
Peak:m/z	Relative Intensity
50.68911	7.0
59.01371	57.9
60.99298	13.0
61.98833	100.0
69.29401	51.4
71.01373	28.4
74.02465	12.2
85.02978	11.1
88.98804	82.2
101.02445	21.4
113.02453	11.2
115.59657	8.0
128.03497	10.6
143.04607	9.5
152.27406	8.0
240.10513	10.6
463.22006	13.5
509.23944	11.8
553.24023	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	553.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05811	4.2
57.80930	4.1
61.74624	4.5
61.98833	100.0
67.58195	4.5
70.44971	11.9
91.19917	4.1
93.82143	4.8
109.97910	4.8
224.29381	4.1
245.14410	4.0
255.23245	13.9
256.23666	13.0
257.23828	9.1
553.34882	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	553.2425
Annotation	Rubriflorin C
Peak:m/z	Relative Intensity
59.01382	34.8
61.98838	25.0
68.76858	4.7
69.89755	4.8
71.01387	22.9
71.52296	9.0
81.23228	4.7
85.02948	8.9
87.99371	5.3
88.98822	11.4
89.02441	10.4
93.03445	8.2
101.02445	13.0
103.00381	9.3
109.02990	5.6
110.38230	5.1
113.02444	10.5
116.92885	8.7
135.04558	11.2
137.02435	6.1
152.43735	4.5
161.75739	4.5
173.04497	14.0
177.68980	4.8
179.03473	7.1
207.32085	4.7
214.07796	4.8
276.22888	5.4
481.24210	5.2
517.26538	7.3
552.30951	7.6
553.24188	100.0
553.31873	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	553.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56190	0.5
57.03454	5.1
59.01384	1.9
61.98830	1.1
65.36645	0.4
67.01897	4.3
68.18060	0.5
69.03477	0.7
69.45652	3.2
71.01379	1.1
73.02953	0.5
75.00886	0.5
83.01395	0.8
85.02949	7.5
87.00871	1.5
88.62918	0.4
89.02431	0.6
92.92256	0.5
93.03476	2.7
93.04006	0.5
101.02441	1.4
109.02976	0.6
111.00880	100.0
111.04510	1.6
112.01217	2.1
129.01965	2.8
133.02945	1.3
135.04521	4.8
137.02451	1.8
141.23190	0.5
149.04506	0.8
154.99869	1.5
155.01585	0.8
155.03503	1.7
155.32872	0.4
161.02441	2.7
161.04134	1.1
173.00963	3.6
173.04546	5.7
179.03499	3.4
191.05666	2.1
199.00533	0.4
199.04141	0.6
205.03131	0.9
217.01663	2.6
217.05167	4.1
219.68927	0.5
258.81351	0.5
261.09436	0.5
353.08466	0.6
361.07324	1.7
373.05759	1.4
379.08334	1.9
391.06683	2.9
393.12155	0.5
405.12781	0.5
429.75772	0.5
448.20782	0.4
535.08490	0.7
553.10083	73.0
554.10229	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	553.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22371	0.5
57.03448	5.2
59.01383	2.1
59.65681	0.6
61.98828	3.8
67.01886	5.2
70.70897	0.5
71.01392	1.4
71.10368	1.0
85.02955	8.1
87.00896	1.7
89.02435	1.8
91.21519	0.6
93.03460	4.1
99.00903	0.7
101.02423	1.3
109.55886	0.6
109.91409	0.5
111.00890	100.0
112.01253	2.9
113.02436	1.1
129.01953	2.4
135.04543	5.0
137.02460	2.0
154.99873	2.1
155.01607	0.9
155.03490	2.2
158.18825	0.7
161.02455	2.0
161.04160	1.1
173.00937	2.6
173.04576	8.1
179.03529	3.1
191.05635	2.0
198.29817	0.6
199.04178	0.6
205.03210	1.1
212.49455	0.6
217.01607	3.1
217.05162	4.9
267.07150	0.6
361.07394	2.5
373.05704	1.5
379.08453	2.2
391.06958	3.1
489.86316	0.7
535.09222	0.7
553.10120	68.1
554.10431	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.3
60.41840	1.5
60.99308	16.6
61.98831	5.4
71.01387	18.9
71.52757	2.9
72.99303	2.6
73.02955	10.7
83.01383	4.2
85.02956	5.6
87.00886	2.7
88.98810	95.6
89.02455	9.3
89.84201	1.4
92.93237	1.4
93.03459	1.8
95.01393	2.4
96.96014	5.2
97.02972	1.7
98.95611	8.3
99.00900	2.4
101.02459	18.0
109.02956	5.3
111.00833	1.4
113.02466	5.6
119.03517	2.5
119.05080	1.6
121.02988	6.3
123.00867	1.9
125.02463	1.9
135.04478	3.0
143.03564	1.7
151.00342	7.3
161.04564	2.2
163.00377	1.7
165.01909	4.3
165.05524	1.3
167.61847	1.3
173.04514	2.7
178.99873	5.0
179.05603	1.8
183.78883	1.6
185.11850	1.7
203.96532	1.4
227.03566	1.7
227.95366	1.4
243.03059	7.4
255.02957	18.3
271.02463	38.0
300.02725	70.7
301.03491	38.8
391.23071	3.2
391.27460	2.9
421.24533	7.0
441.92929	1.5
463.08829	100.0
464.08804	7.7
467.16196	3.8
509.16965	2.2
552.31732	2.9
553.20447	7.4
553.31635	33.9
554.31995	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	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14701	0.3
55.09180	0.3
59.01382	2.5
61.98839	2.7
70.07251	0.5
70.07598	1.5
73.11536	0.3
73.27406	0.4
78.95906	7.7
88.12755	0.4
92.03935	0.4
152.99637	0.8
168.04276	1.6
224.06900	1.0
242.07979	3.5
259.20493	0.5
275.20032	0.5
277.21710	100.0
278.22046	5.2
492.37625	0.4
502.29407	32.7
503.29782	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	552.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.6
61.98829	100.0
64.99254	0.3
67.12719	0.4
67.56939	0.3
71.06362	0.7
71.85399	0.3
97.89163	0.4
102.16521	0.4
111.74253	0.4
118.46197	0.3
120.96612	0.3
125.09853	0.5
153.24538	0.4
192.60204	0.4
197.16173	0.4
202.06094	0.4
295.15958	0.4
333.77393	0.4
339.62616	0.4
386.46259	0.4
405.40231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82355	0.5
59.01381	2.8
59.50452	0.5
61.98531	0.7
61.98832	6.9
63.13306	0.5
64.68096	0.7
77.79276	0.5
78.95905	28.1
91.26071	0.7
96.96977	0.6
98.20789	1.0
128.12987	0.6
152.99579	3.8
168.04282	3.8
176.40375	0.5
203.60864	0.6
224.06966	10.3
242.08020	2.5
253.21999	0.7
259.20648	1.0
277.21713	100.0
278.22076	6.1
345.43668	0.5
349.76071	0.6
467.72861	0.5
497.27661	0.7
502.29413	78.3
503.29568	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45646	0.3
56.95889	0.3
57.01775	0.3
57.03436	0.3
57.53849	0.3
59.01378	1.9
61.98833	100.0
69.60114	0.5
69.60435	2.0
71.01389	3.0
72.99338	0.3
73.02943	0.6
85.02953	1.3
86.29400	0.3
87.00888	0.4
88.98813	0.5
89.02460	1.2
98.20626	0.5
101.02460	2.0
113.02470	1.0
119.03506	0.4
149.02505	0.6
152.01176	0.3
161.04630	0.9
167.03503	0.4
173.04648	0.4
343.04401	1.5
373.05899	0.4
463.09180	1.1
552.27417	0.8
553.29120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98833	100.0
70.38385	0.7
71.01391	1.3
78.95919	0.4
83.01411	0.3
85.02986	0.4
87.00871	0.3
94.84344	0.3
101.02477	0.5
109.03010	0.4
113.02463	0.6
123.04514	0.4
124.07800	0.3
128.03593	0.5
143.04637	0.4
173.68391	0.3
239.72459	0.3
240.10719	0.4
259.15128	0.4
449.62415	0.3
552.25519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91489	1.7
52.34181	1.9
57.03450	100.0
57.54370	1.8
58.00595	2.3
59.01383	68.6
61.98834	19.9
69.53424	9.6
71.01379	29.4
73.02942	11.9
81.03451	2.8
83.01384	4.1
84.96208	1.5
85.02952	9.8
87.00876	2.2
89.02460	13.2
95.01413	1.9
96.95982	2.2
98.20603	3.9
98.95609	3.1
99.00879	2.1
99.04520	73.6
100.04858	2.0
101.02445	34.3
113.02453	14.6
117.03491	1.9
119.03497	6.3
119.04969	1.8
125.02451	33.7
142.06599	3.1
143.03535	3.8
143.04538	2.4
145.02948	4.7
155.03558	2.2
160.07666	7.0
161.04546	5.5
168.38925	1.8
203.05647	1.6
209.11830	1.7
210.08495	2.0
251.10539	2.0
304.11902	31.4
305.12265	2.4
305.76675	1.7
322.12888	13.5
346.12927	22.2
364.14029	36.6
365.14291	2.5
406.15018	4.5
552.24884	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	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
59.01377	27.3
61.98828	7.0
71.01385	24.5
71.52529	5.5
72.99300	4.1
73.02950	4.8
73.06647	3.8
73.92915	2.6
83.05009	4.2
85.02947	8.7
87.00941	3.2
88.98820	31.2
89.02440	21.8
93.03448	6.3
101.02473	22.2
111.08200	3.3
113.02437	13.3
119.03468	5.4
120.75819	2.8
123.38883	2.8
128.29945	2.8
149.04584	5.7
149.09485	3.4
152.34480	3.0
165.12846	24.4
181.12395	3.9
183.13907	63.9
207.13937	6.0
209.11647	5.0
227.12895	100.0
244.63860	4.0
251.12830	12.4
263.12854	5.7
269.13660	3.8
281.13760	3.5
293.13864	8.0
329.15897	4.5
329.23291	3.6
371.24176	4.4
389.18106	16.0
507.28021	5.5
550.43219	3.4
551.24268	3.4
551.30939	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14176	0.7
59.01382	20.2
60.87038	0.7
61.98828	2.1
69.25257	1.8
69.25670	4.7
71.01385	2.0
73.41042	0.8
89.02457	2.9
89.64666	0.8
101.02467	1.6
108.19755	0.8
113.02493	1.5
114.30154	0.7
119.03494	0.7
121.48672	0.9
235.08240	2.6
253.09286	11.2
255.23297	100.0
256.23630	5.4
332.99826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56363	0.4
57.03455	0.7
59.01381	5.9
61.98824	1.0
62.04411	0.5
67.01888	1.2
69.03457	1.2
69.26933	3.4
71.01377	3.7
72.99316	0.9
73.02941	2.1
74.46092	0.5
78.49051	0.4
85.02956	2.3
87.00869	1.7
89.02435	2.5
93.03458	6.6
98.20657	1.0
99.00894	0.5
101.02433	3.9
103.00298	0.4
103.04019	1.2
107.05058	1.3
108.02174	0.6
109.02937	2.2
111.00851	0.8
111.04527	1.3
113.02456	1.1
119.03516	1.2
119.05000	0.5
123.04500	1.5
125.02449	0.8
127.03956	0.5
131.03494	1.0
134.03737	2.8
135.04524	100.0
136.01607	0.5
136.04822	2.1
137.02448	10.8
143.03511	1.5
149.02318	0.6
149.06122	0.5
151.04123	0.4
153.05589	1.2
155.03488	1.8
156.56197	0.6
161.02443	1.9
161.04541	0.5
162.92078	0.4
163.06097	4.1
171.16637	0.4
173.04547	15.6
177.01941	0.6
179.03493	21.2
180.03877	0.6
191.05603	5.6
205.07149	2.4
233.06734	0.7
299.05627	1.7
313.06766	0.4
315.08762	1.8
317.06680	1.3
329.06616	0.8
330.71829	0.5
333.09857	1.2
341.06744	1.0
347.07712	0.7
353.08627	0.8
359.07706	9.5
360.07898	0.7
377.08768	26.4
378.08954	2.1
459.64276	0.4
521.13135	1.1
533.12769	3.1
551.13928	13.3
551.26837	2.5
552.14813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01295	0.6
55.01871	0.6
57.03442	1.5
58.00563	0.9
59.01379	19.6
61.98809	1.0
67.01884	0.9
69.03436	0.6
69.43988	3.5
71.01379	10.2
72.99311	1.8
73.02948	6.5
75.00874	0.6
83.01370	0.7
83.05025	0.8
85.02954	6.4
87.00883	3.0
87.04527	1.1
89.02443	6.4
93.03463	7.8
95.01317	0.6
98.19885	0.7
99.00877	1.1
101.02449	13.6
103.04002	5.8
107.04990	1.0
109.02968	1.4
111.00882	1.3
111.04507	1.6
113.02447	2.7
115.03998	1.8
119.03514	3.5
123.04528	1.9
125.02431	1.1
127.04015	0.8
131.03503	1.9
133.02962	0.6
134.03722	2.9
135.04527	100.0
136.01767	0.6
136.04883	2.6
137.02448	11.2
143.03496	4.2
145.05080	1.8
149.04567	0.5
149.06062	0.6
151.04071	0.6
153.05598	1.0
155.03511	1.7
161.02478	1.8
161.04555	1.3
163.06129	15.4
173.04552	16.8
177.01956	0.9
179.03494	20.0
179.05733	0.8
191.05615	3.7
193.04842	0.5
205.07173	6.9
233.06667	1.1
265.09082	0.9
271.09570	0.8
299.05554	1.6
312.05219	0.5
315.08749	1.2
317.06552	1.7
329.06766	0.7
333.09927	1.1
341.06815	0.7
341.80716	0.6
353.08734	1.1
359.07684	9.2
360.08014	0.5
377.08774	25.5
378.09088	1.8
389.22067	0.7
504.71704	0.6
533.13220	1.9
551.13861	13.4
551.27094	7.5
552.14447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57402	1.0
55.70292	1.1
57.03439	3.0
59.01380	11.0
61.98816	4.1
69.65328	2.1
69.65732	5.1
71.01384	12.5
71.04978	1.2
72.99300	1.0
73.02940	3.3
73.11967	0.9
80.75312	0.9
81.03459	11.8
81.87038	1.0
83.01388	4.7
85.02953	4.1
87.09084	1.1
89.02446	7.1
93.03435	2.4
95.01381	1.7
95.05037	5.6
97.02945	3.2
98.20642	1.3
99.00858	1.2
99.04528	12.9
101.02451	8.2
109.02954	6.0
111.04516	2.1
113.02444	6.6
119.03481	3.0
121.02913	2.5
123.04572	4.8
125.02448	24.4
133.02950	11.3
134.03659	1.5
135.04572	1.7
137.02441	6.3
139.04010	2.4
143.03384	1.2
145.05072	6.0
149.02443	2.8
150.03242	1.7
151.03986	1.5
161.02428	1.2
161.04565	2.5
163.03963	2.6
165.01910	1.8
165.05563	2.5
167.03494	100.0
168.03818	2.8
173.04575	2.0
175.03969	1.7
177.01920	5.3
179.03491	1.8
191.03482	1.0
191.05594	1.7
193.01411	4.2
193.05034	2.7
197.04588	15.2
207.03047	1.5
209.04539	2.2
211.07527	1.6
213.05399	1.3
235.02481	16.5
236.02908	1.5
247.02438	1.3
265.03531	4.3
327.05054	2.3
329.08636	5.2
340.34341	1.1
345.06110	24.1
346.06497	1.8
375.07175	3.0
377.08929	2.4
389.21588	2.3
397.07541	1.3
455.05212	1.1
466.37726	1.1
550.25635	1.8
551.26514	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
60.13813	0.2
61.98798	0.3
64.87499	0.2
71.00971	0.3
71.01331	1.1
73.02949	0.2
78.95904	9.7
79.95745	2.6
85.02959	0.4
89.02438	0.6
94.78914	0.2
95.97628	0.2
96.96013	100.0
96.96931	18.0
97.95968	0.2
99.92574	0.3
101.02447	0.8
113.02444	0.3
116.92860	3.6
117.92854	0.3
125.02416	0.2
125.31486	0.2
126.86164	0.2
255.07750	0.2
282.80322	0.2
283.52963	0.2
306.07394	0.3
307.07791	0.2
326.79620	0.2
328.12726	0.2
387.20154	0.5
549.25793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03446	1.6
59.01381	100.0
60.01719	0.4
61.98833	7.1
68.99574	0.9
71.01385	17.6
71.52361	0.5
72.99315	0.8
73.02948	4.4
78.95919	0.5
81.03477	0.5
83.01408	3.3
85.02951	10.1
86.00077	0.4
86.29729	0.4
87.00889	1.0
89.02444	2.8
95.01386	2.1
97.02987	1.0
99.00877	2.0
100.39335	0.3
101.02451	9.6
109.02993	0.4
111.00910	0.9
112.98597	0.7
113.02454	9.4
114.70837	0.4
115.04007	0.5
116.12508	0.3
116.92938	0.4
119.03544	0.5
123.04525	0.3
125.02444	0.9
143.03540	1.2
159.02951	0.9
159.10207	0.4
161.04550	4.0
171.10292	0.4
180.96677	0.4
204.86198	0.5
237.54303	0.4
293.17880	0.5
299.26105	1.2
316.72452	0.4
345.30115	3.5
417.18011	0.4
489.34344	37.9
490.34610	3.0
507.35388	26.5
508.35428	2.2
549.24023	0.6
549.36902	2.5
550.28735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28160	1.2
54.04637	1.0
54.61642	1.2
56.73264	1.2
57.03444	4.7
59.01388	10.7
61.98824	1.6
66.11285	1.0
71.01375	3.9
71.07767	1.0
77.60834	1.0
77.67358	1.2
83.04999	1.1
83.11224	1.1
85.02952	1.9
89.02448	3.1
95.05049	1.3
96.95978	1.5
97.06586	12.0
98.19878	2.7
101.02439	3.0
113.02426	1.9
116.92814	1.1
119.03561	1.7
123.08192	6.5
125.09724	100.0
126.10054	2.8
142.71263	1.2
143.10777	25.5
152.53264	1.1
161.04521	1.7
169.08641	2.5
176.77527	1.1
187.09749	78.5
229.39807	1.4
253.09370	1.9
261.13388	1.2
354.45172	1.1
405.17545	6.2
423.18631	18.1
423.23834	1.3
512.67700	1.3
549.29181	98.3
550.29553	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	549.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55024	1.1
57.03432	3.9
59.01381	11.2
61.98823	3.2
69.03437	1.2
71.01364	2.8
71.51415	2.1
73.02963	1.3
85.02921	1.6
87.00860	2.0
89.02432	2.0
95.05003	2.0
96.96046	1.3
97.06595	13.9
101.02439	4.7
113.02443	3.0
116.92925	1.3
123.08141	7.0
125.09725	83.3
126.10070	2.8
143.10779	72.6
144.11079	1.1
145.05086	2.2
161.04623	1.4
169.08653	2.3
187.09761	36.7
218.18622	1.1
219.62415	1.3
225.40967	1.3
235.08208	3.2
246.23206	1.1
253.09280	2.6
262.79395	1.0
354.71182	1.0
405.17758	4.5
423.18747	5.0
438.66061	1.3
512.93353	1.1
549.29144	100.0
550.29492	11.1
554.36188	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	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69644	1.1
55.01865	4.4
57.03439	5.7
58.00572	4.0
59.01379	75.1
61.98829	7.4
68.99799	1.2
69.86032	1.2
71.01380	71.9
71.51675	1.9
72.99309	5.4
73.02946	15.9
75.00858	2.3
83.01393	10.1
85.02456	2.3
85.02950	32.8
87.00878	6.2
89.02446	57.3
95.01383	5.6
96.95995	2.5
97.02929	2.2
99.00894	7.2
101.02441	66.0
103.04018	2.9
109.00273	1.4
110.26976	1.2
111.00865	1.7
113.02453	47.6
115.00322	1.6
119.03497	24.2
125.02432	5.0
131.03481	3.6
135.04564	1.6
137.02409	2.1
138.06898	1.6
143.03497	10.4
149.04517	2.8
153.09175	3.9
159.03020	4.1
161.02495	2.0
161.04558	28.3
163.06126	4.7
173.04488	5.0
175.03993	1.3
179.05574	13.7
189.12927	1.8
191.05588	2.8
195.13763	1.8
207.13982	1.4
222.04076	1.8
225.14922	12.0
241.05113	1.5
270.94601	1.4
299.05487	2.1
325.12039	1.5
343.11694	1.9
387.20215	62.6
388.20731	2.8
447.09439	1.6
476.11182	1.9
489.19678	1.9
542.08484	1.5
549.17645	6.7
549.25500	100.0
550.26062	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70572	0.8
57.03453	2.0
58.00594	2.6
59.01378	47.6
61.98832	2.1
69.03457	1.6
71.01379	48.8
71.52486	1.6
72.99307	2.4
73.02950	8.4
83.01375	4.2
84.67596	1.0
85.02950	14.0
87.00860	5.5
89.02443	47.8
93.03467	1.5
95.01386	1.9
97.02930	1.3
99.00872	2.8
101.02444	29.0
111.00853	3.6
113.02467	12.0
114.38377	0.9
119.03521	5.4
125.02417	5.1
129.01900	1.3
131.03499	20.1
137.02455	1.5
143.03490	3.7
149.04544	19.2
161.04552	5.4
173.04533	3.7
175.02448	1.2
176.35278	1.0
177.09186	2.0
179.05551	2.7
191.03871	1.3
191.05579	9.3
219.43802	1.2
221.52209	1.0
233.06639	2.9
293.08759	4.3
311.10025	1.1
339.14697	1.7
357.15485	8.0
358.15872	1.3
387.20099	4.8
489.19748	100.0
490.20193	6.8
549.26160	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	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.4
56.30988	2.1
57.03439	3.7
59.01379	76.0
61.98830	7.5
64.08482	2.0
67.14258	2.0
67.72382	1.7
69.03430	2.0
69.40422	15.8
71.01383	54.6
72.99310	13.1
73.02946	10.9
74.86390	2.0
75.00875	5.7
79.31503	2.0
83.01378	3.7
83.15237	1.9
85.02953	23.0
87.00882	23.1
89.02441	48.6
93.03439	7.0
95.01376	3.1
96.96001	2.2
97.02972	3.9
99.00881	5.9
101.02440	26.5
103.00401	11.6
109.02901	2.2
110.25130	1.8
111.00884	8.4
111.08122	2.9
112.98835	11.6
112.99509	1.9
113.02451	18.1
115.00355	7.5
115.04003	2.3
119.03488	9.6
125.02429	10.0
130.99870	3.2
131.03464	11.1
134.03751	3.8
135.04524	3.8
137.02411	3.4
139.07631	17.3
143.03499	5.5
147.04539	3.0
149.02293	2.1
149.04510	10.8
161.04610	12.5
163.04080	2.1
166.06310	3.8
173.04536	16.1
175.02455	5.4
179.05583	5.2
181.08672	6.6
191.05612	20.0
192.05988	6.2
193.06152	5.5
233.06624	5.5
239.07085	2.3
269.08051	4.9
285.11740	2.3
290.78134	2.4
293.08838	10.4
313.10953	2.6
325.10440	2.2
357.15186	4.0
375.06680	3.4
375.10480	4.2
387.11530	2.4
387.20407	2.8
407.02646	2.0
417.17877	2.9
431.10468	2.3
459.10089	2.7
489.19757	100.0
490.20135	6.2
549.17712	44.3
549.25604	6.6
550.18427	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	549.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90056	1.2
57.03441	2.4
59.01375	15.5
62.70311	1.3
68.99805	2.7
69.03452	2.3
70.44054	4.2
71.01379	18.4
72.99303	4.5
73.02946	2.0
75.00871	14.6
85.02945	20.0
87.00877	6.7
89.02434	5.1
92.32023	1.4
93.03456	50.5
94.03755	1.9
95.01382	6.1
99.00883	12.4
109.02956	3.2
113.02450	22.9
115.00381	2.2
117.01920	3.3
118.75209	1.3
121.02905	1.2
127.12253	1.4
129.01939	2.6
136.01595	1.3
137.02443	100.0
138.02760	3.1
162.03467	1.4
175.02408	2.8
191.05588	7.8
211.06088	7.6
231.05022	2.9
249.06140	41.9
260.13147	1.3
267.07190	26.9
321.61923	1.3
325.09363	3.5
357.06174	1.5
369.08209	9.6
375.07452	6.9
387.09317	84.0
388.09598	3.2
429.10361	2.2
549.14587	89.7
550.14783	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	549.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	4.1
59.01379	92.2
61.98825	15.8
71.01382	12.8
71.02164	1.9
71.52483	2.0
72.99308	27.9
73.02940	4.3
75.00868	4.6
85.02942	7.7
87.00878	43.2
89.02452	10.8
93.03452	6.2
99.00741	1.9
101.02425	11.2
103.00375	29.4
112.98823	28.7
113.02447	5.8
119.03485	3.6
128.76619	1.7
130.99860	8.8
142.55009	2.1
161.04527	6.4
166.06363	13.3
173.04526	11.8
179.05605	5.7
181.08690	15.8
182.42784	1.7
191.05630	7.3
239.07152	2.1
241.05215	2.8
269.08270	2.0
273.23517	2.0
285.11267	2.0
313.10931	2.1
375.10251	2.5
417.17548	8.5
433.14871	2.5
549.18170	100.0
549.25104	4.1
550.18622	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	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
61.98832	0.3
70.72050	0.4
70.72391	0.4
77.03956	1.3
93.03467	0.3
94.32207	0.2
121.02956	100.0
121.56738	0.2
122.03294	2.3
137.02454	0.4
142.20039	0.2
147.04576	0.2
164.31007	0.2
165.01927	51.2
166.02266	1.1
180.05807	0.5
181.06587	2.7
191.03610	0.4
191.83133	0.2
197.06085	2.3
199.70659	0.2
207.04491	0.7
207.08130	0.3
223.03957	0.5
225.05598	1.6
251.07054	0.2
257.09732	0.5
313.07239	1.3
357.06128	0.8
383.07718	0.6
417.09610	1.8
505.11432	1.6
525.37982	0.2
544.84784	0.3
549.10388	25.0
550.10663	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	549.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85432	0.3
54.43932	0.3
59.01384	2.7
59.19161	0.3
61.98815	1.0
63.98203	0.3
68.02203	0.3
68.76974	0.3
69.29553	2.6
71.01379	1.6
72.56464	0.3
72.76514	0.3
72.99321	0.4
73.02953	0.4
77.58321	0.3
81.96622	0.3
83.01411	0.4
85.02941	1.0
89.02447	1.0
96.67172	0.3
96.96008	0.7
99.04472	0.5
99.92579	9.7
100.92596	0.4
101.02430	1.5
113.02457	1.1
115.00347	0.3
116.92860	100.0
117.92862	2.8
119.03515	0.3
125.02453	0.4
128.03537	0.6
137.02397	0.3
138.19011	0.3
143.04643	0.5
145.02998	0.3
161.04591	0.6
163.03964	0.3
173.04501	0.4
183.59975	0.3
191.05571	0.5
225.05673	0.7
272.08795	0.5
283.06104	0.8
296.36908	0.3
306.07587	0.8
311.05527	1.0
387.20395	0.4
391.87442	0.3
431.09622	0.5
543.46716	0.3
549.25848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
56.84000	0.7
57.03450	1.5
59.01381	100.0
61.98831	42.6
62.89715	0.7
71.01385	20.7
71.07227	1.5
72.48346	0.7
72.99311	1.5
73.02946	6.1
83.01387	4.8
85.02956	13.1
87.00899	2.1
89.02459	5.6
95.01427	3.1
97.02975	0.8
99.00898	3.1
101.02444	14.3
107.03601	0.8
111.00926	1.3
113.02453	14.2
119.03522	2.7
125.02496	2.1
134.03870	0.8
143.03543	2.3
145.07027	0.7
159.03078	1.5
161.04567	8.4
175.04007	0.8
286.07532	0.7
293.17715	1.2
311.05841	1.1
343.28928	0.9
387.67691	0.8
464.23642	0.9
469.31638	1.1
487.32788	36.1
488.33597	2.5
505.33844	22.6
505.41138	1.3
506.34216	1.9
547.27423	1.3
547.35364	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69910	0.7
57.03423	0.8
59.01379	16.7
60.99305	13.8
61.98820	3.7
69.35792	6.1
71.01381	3.6
72.99295	1.0
73.02937	1.7
82.43343	0.7
83.01385	1.5
83.79556	0.6
85.02961	2.1
88.04047	2.1
88.98801	100.0
89.02425	1.9
96.96002	1.0
98.19894	1.3
101.02450	3.1
113.02435	2.2
123.04477	0.9
149.04510	0.8
173.04524	0.8
176.30124	0.7
177.03398	0.7
208.84155	0.8
293.04544	0.7
369.13348	4.2
371.20734	1.2
487.29541	3.3
505.30051	1.7
547.20801	0.8
548.23572	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	547.1864
Annotation	Kurramine 2'beta-N-oxide
Peak:m/z	Relative Intensity
55.39185	2.8
57.03432	4.4
58.02973	11.0
59.01381	49.5
61.98833	52.3
70.14444	3.1
71.01381	27.6
71.53134	3.4
72.99314	3.9
73.02937	5.2
74.02472	28.3
74.65731	2.6
75.00813	3.1
81.04616	3.2
82.02961	3.0
85.02935	9.4
86.02480	8.8
87.00867	6.6
87.05637	4.6
88.98808	6.6
89.02457	7.1
96.96000	3.9
97.04076	5.3
99.04532	2.9
99.05632	24.5
101.02472	15.0
101.07159	3.1
102.05593	5.9
107.20976	3.2
109.02924	5.5
109.04085	5.3
110.00669	6.1
112.04063	4.2
113.02429	10.7
116.92818	3.3
121.76748	2.8
122.94537	2.5
123.04604	3.4
123.05630	2.9
124.04035	3.2
125.03088	21.5
126.03820	10.0
128.03540	55.7
135.04504	9.9
135.05579	5.9
138.03842	6.2
139.07664	3.2
143.04614	76.4
145.06155	3.2
146.04640	5.8
149.02505	3.6
160.01637	8.6
161.02438	5.7
161.04594	4.6
166.09839	4.0
167.04622	3.1
167.08282	5.1
175.04037	7.4
179.04628	23.6
181.06183	3.9
183.07532	3.1
201.11206	3.5
210.08818	20.8
230.10059	23.4
254.07820	41.2
272.08899	39.0
274.09094	6.7
307.22977	4.5
383.20886	3.1
399.23831	4.7
418.14468	10.8
487.29245	10.7
503.19705	7.6
505.30673	4.8
529.17657	25.0
547.18701	100.0
547.26569	13.8
548.19220	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	547.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.2
62.78516	1.1
70.49030	1.2
71.01383	18.5
72.99310	2.5
73.02953	2.1
73.22407	0.9
83.01376	5.5
85.02971	3.8
87.00877	32.0
93.03458	3.8
96.96047	3.2
98.19880	2.7
98.95601	2.8
101.02444	1.8
109.02955	1.3
111.00874	6.1
112.25430	1.1
112.98836	1.1
113.02460	2.6
115.00381	53.2
127.00349	1.7
135.69908	1.0
139.00397	14.8
142.55962	1.1
157.01419	25.7
161.02454	1.1
164.04761	1.6
173.04552	8.5
175.02477	100.0
176.02725	1.4
179.03366	1.0
179.07166	1.5
187.04001	2.2
191.05624	3.5
234.90202	1.2
254.50807	1.1
263.05765	1.1
267.11279	1.3
280.08578	2.7
295.10901	5.1
309.12537	1.4
313.47543	1.1
325.11816	2.6
327.13593	5.2
335.10681	1.0
353.11618	1.3
371.12546	9.4
373.09329	1.8
391.12833	1.8
397.10257	1.9
401.13388	1.9
429.13028	4.5
431.14255	1.6
435.12045	2.2
453.13370	1.1
467.14572	5.6
477.49115	1.4
485.15607	8.6
487.13672	2.2
508.51208	1.4
547.01636	1.2
547.15381	3.2
564.99457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13862	0.4
57.03440	1.7
58.00602	0.4
59.01381	11.8
60.91099	0.4
60.99288	0.8
61.98832	3.4
67.01885	4.5
69.03439	1.3
70.45423	1.1
71.01384	10.6
72.99318	0.7
73.02949	1.5
75.00865	0.4
81.03445	1.2
81.20385	0.4
83.01367	0.8
83.05018	1.1
85.02946	4.5
85.06587	5.4
86.93886	0.5
87.00869	1.2
88.98805	1.8
89.02441	5.6
93.03457	30.0
95.01382	0.7
96.96011	1.7
97.02950	0.4
99.00881	1.1
101.02446	3.4
105.76137	0.5
107.04993	0.4
109.02946	2.5
111.00893	1.3
111.04522	4.2
113.02451	2.7
113.06084	17.4
115.04014	2.7
115.27807	0.4
117.03476	0.7
119.03461	0.6
123.04520	0.8
125.02377	0.5
127.03992	0.8
133.02998	0.6
134.03743	1.8
135.04526	44.4
136.04865	0.9
137.02434	4.7
139.04010	3.9
143.03391	0.4
147.04475	0.5
155.03513	5.0
157.05029	3.8
161.02449	1.7
161.04543	3.0
163.04053	0.4
173.04543	100.0
174.04893	2.3
175.00262	0.6
175.03990	0.6
177.03329	1.0
179.03494	50.0
180.03886	1.4
191.05606	14.5
192.05945	0.7
193.05019	0.6
203.95052	0.4
205.05009	0.6
217.08739	0.7
243.22517	0.4
245.08299	0.6
265.04968	0.4
267.06927	0.5
277.05075	6.3
279.06717	0.5
289.07248	0.8
293.04572	3.2
325.14285	0.5
341.06580	3.8
353.08752	17.4
354.09161	0.9
369.13443	3.8
373.09396	2.5
389.21793	5.4
397.09250	3.2
487.29477	1.0
505.30124	0.5
547.14484	10.1
547.22345	0.7
547.27734	0.5
548.14758	0.9
557.21814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
59.01376	16.3
61.98832	20.9
67.01884	4.6
71.01382	20.0
71.52354	2.2
73.02926	3.4
81.03456	3.1
83.01400	1.7
83.05016	2.4
85.02956	15.5
87.00867	5.6
89.02429	9.0
90.02730	1.3
91.64523	1.3
93.03457	18.7
95.01369	2.8
96.96015	30.3
101.02445	6.7
108.02171	4.9
109.02235	2.4
109.02953	35.5
111.04523	8.3
113.02458	9.9
115.00356	9.1
119.03482	2.7
120.92819	1.4
121.03008	3.5
122.03742	19.8
124.01669	7.2
125.02403	2.8
127.04014	2.0
129.01903	11.1
133.02946	20.8
135.04538	6.8
137.02457	7.6
139.51331	1.3
140.81801	1.5
145.02969	2.1
146.03702	4.0
147.04530	13.4
148.05298	4.9
148.65573	1.5
149.02408	2.9
149.04500	1.4
154.02742	3.1
155.03497	3.8
159.04471	3.8
160.05307	2.0
161.02470	1.7
161.04738	2.6
161.06081	15.4
163.03955	2.1
164.04784	2.0
167.03609	1.7
173.04541	54.4
175.02573	1.7
175.03970	5.0
179.03497	2.7
179.05592	3.5
187.04008	12.2
188.57788	1.5
189.02020	2.6
190.02708	3.2
191.05609	84.1
192.05930	3.2
205.05013	4.6
207.06592	1.8
209.87219	1.5
217.01550	2.3
219.06671	7.2
223.06056	4.4
223.60765	1.6
238.06224	1.9
241.05090	2.3
242.05859	12.2
243.06647	10.8
248.57166	1.5
254.05878	1.6
255.06606	5.1
257.08151	8.4
263.05573	1.6
265.07065	2.0
269.08109	6.6
270.08948	19.0
283.09799	2.9
285.11310	91.6
286.11679	4.2
296.06894	2.1
297.07724	10.7
303.07059	2.7
325.09048	2.2
329.06497	3.0
329.10275	41.0
341.06573	3.5
373.09262	100.0
374.09647	4.7
461.29053	1.6
547.14862	11.4
547.23267	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	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
61.98845	0.5
63.69320	0.4
67.01891	1.0
67.08525	0.4
69.54817	2.7
71.01376	3.3
73.02922	0.6
76.75368	0.5
81.03437	0.6
83.05035	0.6
85.02947	11.0
85.60631	0.5
87.00859	2.3
89.43702	0.5
93.03447	9.8
99.00882	0.5
99.04497	0.6
101.02433	0.7
108.02152	1.1
109.02945	5.0
111.04514	1.5
113.02483	1.1
115.00382	1.9
122.03728	5.5
124.01678	2.5
125.02467	0.8
127.04033	2.5
129.01962	0.6
133.02922	5.8
134.03720	2.9
135.04527	7.0
137.02428	3.0
146.03784	0.7
147.04521	3.3
148.05292	1.8
148.58765	0.5
149.02461	0.7
149.06032	0.7
151.04153	0.5
154.02705	1.3
155.03471	0.7
160.05414	0.5
161.06046	2.6
163.03981	0.8
163.05264	0.5
171.02907	0.5
173.04539	13.2
174.18709	0.4
175.03963	0.5
179.03503	3.4
179.04893	0.6
183.56609	0.5
187.03902	0.5
191.05605	100.0
192.05952	2.0
193.05080	1.3
218.50800	0.5
241.05103	1.8
242.05844	8.5
243.06407	0.5
248.22650	0.5
255.06566	0.9
257.08203	8.1
267.06827	0.6
269.08121	1.2
270.08871	4.4
283.09857	0.9
285.11307	22.4
286.11664	1.1
329.10223	2.0
363.54633	0.5
373.09283	26.1
374.09451	0.8
388.10446	0.5
425.81812	0.7
547.14130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.9
61.98812	2.2
63.81189	0.7
65.00335	0.9
71.01376	2.2
71.09616	1.7
78.95905	2.3
79.95737	3.2
96.96014	100.0
99.00871	0.9
101.02457	1.1
107.01406	2.4
109.02924	1.1
125.02499	1.1
135.04506	8.2
151.00363	15.5
161.02492	1.0
173.04529	1.1
179.03380	1.1
191.05617	0.9
272.93945	0.9
287.05637	10.2
288.06207	0.9
425.35754	0.9
449.10934	9.8
529.61285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01390	6.5
61.98834	13.6
64.70171	1.3
67.01890	5.6
69.03439	2.2
70.70288	2.8
71.01391	7.8
75.49482	1.2
83.05053	2.7
85.02956	9.9
87.00874	3.6
89.02429	2.7
93.03463	28.8
99.04480	1.5
108.02171	4.6
109.02956	18.1
111.04527	6.7
113.02458	3.0
115.00368	6.1
117.03499	1.8
121.02927	1.4
122.03752	16.4
123.62656	1.4
124.01679	8.9
127.03992	3.5
133.02968	24.3
134.03783	7.0
135.04533	56.4
137.02458	10.3
145.02994	2.3
147.04552	10.4
148.05331	6.6
149.06050	2.3
154.02742	2.7
155.03496	5.0
159.04488	2.6
160.05322	2.7
160.93686	1.4
161.06058	11.9
163.03981	2.4
165.03972	2.5
173.04558	79.6
174.04872	2.8
175.03989	3.1
178.02783	2.5
179.03502	35.8
180.03833	1.5
191.05627	83.1
193.05043	10.1
213.05647	2.5
223.06151	2.2
241.05070	2.4
242.05893	14.5
250.38437	1.2
255.06635	8.3
257.08179	7.8
269.08121	5.6
270.05823	2.4
270.08997	20.4
271.09213	1.8
283.09799	3.0
285.08057	3.1
285.11325	100.0
286.11646	4.7
329.10303	10.2
367.10541	2.2
373.09314	88.8
374.09558	5.9
463.42285	1.3
547.14331	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	546.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.0
61.98829	100.0
69.91074	1.4
69.91481	2.1
71.01386	2.4
72.99325	0.9
85.02931	0.9
87.00858	0.7
96.96024	1.7
98.20637	1.1
101.02467	1.7
109.02962	1.5
113.02431	0.7
123.04467	0.7
125.02464	0.8
128.03490	0.7
129.36459	0.6
133.03014	0.9
145.95018	0.6
175.02586	0.9
190.02890	0.6
299.05679	1.1
327.05139	1.3
328.05527	2.0
436.13657	1.0
448.10056	1.0
546.17609	1.0
547.30212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
58.00589	2.8
59.01382	28.3
61.98827	1.1
69.30071	6.9
71.01387	6.0
72.99306	2.3
89.02449	23.0
91.04009	80.6
92.04317	1.0
131.62556	0.8
153.37418	0.8
333.31635	1.9
335.33188	100.0
336.33508	6.6
353.34283	2.0
379.32166	57.3
380.32382	3.9
397.33203	52.3
398.33423	3.4
441.88300	1.0
453.35843	37.9
454.36060	3.1
471.36890	54.4
472.37207	5.5
533.93231	1.0
545.32550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	4.2
59.01377	42.1
63.55108	2.2
69.52380	9.2
69.52805	7.5
71.01387	8.4
72.99287	2.9
82.49342	2.9
89.02443	19.7
91.04008	81.9
95.15663	2.3
98.09148	2.3
237.58626	3.4
276.08344	2.8
333.31647	3.6
335.33179	100.0
336.33542	5.6
379.32092	59.5
397.33142	57.0
398.33835	3.2
453.35864	40.0
471.36871	60.4
472.37485	6.0
477.80786	3.3
516.77478	2.6
568.78369	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	545.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
57.03447	4.7
58.00596	1.1
59.01379	100.0
60.01725	0.5
61.98824	2.1
67.01876	0.4
69.03455	0.8
69.20148	3.6
71.01381	35.6
72.60841	0.4
72.99313	2.5
73.02945	16.9
75.00863	0.8
81.03487	0.7
83.01386	5.5
84.73540	0.4
85.02950	17.1
87.00871	2.0
88.98817	0.7
89.02443	14.6
89.03577	0.8
95.01396	3.0
96.96022	1.5
97.02968	1.5
97.52444	0.3
98.19836	0.8
99.00880	13.3
101.02442	27.9
102.02769	0.5
109.02991	0.8
111.00872	0.8
112.01671	1.9
113.02450	16.6
114.02789	0.6
114.05507	0.4
119.03519	2.8
123.04507	0.4
123.08185	0.7
125.02457	3.0
128.03531	0.3
129.01944	0.4
131.03487	1.9
137.02440	0.5
137.09714	1.1
143.03496	2.5
149.04576	1.0
149.09720	0.8
151.03969	0.4
159.02977	2.3
160.03975	0.4
160.53687	0.3
161.04564	9.4
161.05907	0.8
162.04671	0.3
165.12845	0.9
173.04573	0.6
177.01894	0.7
191.05647	1.5
193.12410	0.4
203.05627	0.4
209.15450	10.8
289.07382	0.4
293.04495	0.7
294.37961	0.4
305.17477	2.5
353.19629	7.4
353.23758	0.4
369.13562	1.2
371.20724	19.7
372.20911	1.3
395.07657	0.8
413.21826	7.9
414.21964	0.4
470.00110	0.4
485.23840	3.4
486.24228	0.6
503.24960	52.3
504.25415	3.8
545.26007	73.7
546.26349	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	545.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20439	1.4
57.03161	1.7
57.03449	63.8
59.01382	95.8
61.98835	9.6
62.77061	1.3
69.03454	2.9
69.51218	1.5
70.86278	1.5
71.01388	30.5
71.51930	2.2
72.99326	2.6
73.02943	8.1
73.03323	1.7
75.00879	2.5
81.03473	2.6
83.01389	6.4
85.02949	13.5
87.00886	4.1
89.02441	20.3
96.96016	56.6
97.02935	2.6
99.00874	5.2
99.04523	72.2
101.02441	36.7
101.90097	1.6
103.00381	2.9
103.20170	1.4
109.03003	3.5
111.00892	4.7
111.04468	1.7
113.02457	12.3
121.02937	2.7
125.02452	42.7
131.03505	7.4
135.04480	2.0
143.03513	6.5
149.04552	4.2
161.04591	12.2
173.04584	3.8
191.05624	2.0
219.75424	1.7
233.06766	1.9
249.06177	1.7
267.06711	3.2
268.07336	2.4
269.10349	13.5
283.09781	4.3
299.05695	2.6
311.11520	1.7
317.62274	1.7
327.05048	14.1
328.05527	1.8
352.13391	1.4
357.06207	2.6
371.07870	2.3
383.13412	10.1
397.17151	3.2
401.14529	100.0
402.14999	4.8
443.15741	11.1
447.09335	8.7
545.18719	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	545.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	67.9
59.01381	100.0
61.98833	9.3
67.54852	1.9
69.17874	17.7
71.01380	44.0
72.99299	3.4
73.02940	12.0
74.16422	1.7
78.95928	1.7
81.03448	3.4
83.01394	4.7
83.33997	1.7
85.02950	15.3
87.00880	4.0
89.02450	18.8
90.91932	1.6
93.03437	2.8
93.79523	1.9
95.01381	2.9
96.96014	97.4
97.02950	3.2
99.00889	6.0
99.04521	73.8
101.02446	45.5
108.88613	1.5
109.02957	3.4
111.00900	5.2
112.98807	2.2
113.02473	15.9
115.03981	1.5
125.01536	2.4
125.02456	49.9
128.03539	2.0
131.03526	7.6
133.02910	2.7
133.05101	2.1
135.04501	5.2
143.03470	5.0
149.04556	6.6
159.03014	2.2
161.02502	3.7
161.04593	11.3
163.04002	3.2
173.04555	5.6
175.03879	2.0
179.03458	2.4
191.05592	6.3
249.06166	3.2
253.05011	1.9
267.06711	7.3
268.07462	5.3
269.10300	13.8
283.09848	9.3
289.07159	1.7
297.03946	5.7
299.05643	2.4
327.05087	18.8
339.05237	2.4
357.06174	5.3
371.07645	4.5
383.13196	10.3
401.14505	96.7
402.14847	5.1
443.15369	9.4
447.09332	16.1
448.09763	1.8
485.15851	1.9
545.18689	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	545.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10918	0.2
59.01376	1.2
61.98825	0.3
71.01375	0.8
71.52069	0.2
71.52435	0.3
79.95737	3.0
85.02945	0.4
89.02444	0.9
96.96011	100.0
97.95921	0.3
101.02439	0.5
109.02959	0.4
114.41409	0.2
121.02939	0.3
125.02400	0.3
131.03543	0.3
133.02954	1.9
135.04553	0.5
145.02904	0.3
147.04509	0.2
149.02478	0.6
149.04509	0.4
157.08649	1.1
161.02507	0.5
165.01837	0.3
173.04515	0.5
175.04002	0.6
177.01930	0.5
191.03510	0.5
191.05545	0.4
193.01465	0.2
201.01804	0.3
210.42358	0.2
215.03488	0.3
225.05537	0.3
267.06967	0.3
284.03214	1.6
285.04095	1.1
297.04016	2.8
298.04807	1.6
299.05597	3.6
311.05374	0.4
322.51663	0.2
327.05084	19.3
328.05481	1.1
339.05020	0.6
357.06155	4.6
358.06552	0.4
365.06161	0.3
369.05994	0.6
393.05887	0.3
447.09323	15.7
448.09668	1.2
527.00549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01378	2.7
61.98835	1.7
69.25195	0.2
69.26286	1.2
69.26704	0.5
71.01389	0.9
73.02948	0.3
78.95944	0.3
79.95746	2.6
81.03431	0.2
83.01369	0.3
84.21088	0.2
85.02958	0.4
89.02488	0.5
89.03604	0.2
93.03432	0.2
94.98089	1.1
95.37199	0.2
96.96018	100.0
97.95934	0.2
99.04536	1.1
101.02427	1.0
103.98460	0.2
109.02951	0.2
113.02440	0.4
115.00378	0.3
125.02452	0.9
132.04170	0.2
133.02986	0.5
135.04546	0.3
149.02530	0.2
151.00410	0.3
152.92981	0.2
173.04581	0.5
175.02481	0.2
175.03990	0.2
177.01964	0.3
256.03729	0.3
269.10394	0.3
284.03268	5.0
285.04074	10.7
286.04477	0.5
289.07269	0.2
327.05069	0.4
401.14627	0.3
447.09338	11.0
448.09839	0.8
545.19641	0.4
550.55359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98832	100.0
72.40801	0.3
76.02253	0.3
78.01579	0.2
81.68195	0.2
91.43738	0.3
98.19911	0.5
423.78604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00719	0.2
51.16331	0.3
51.25604	0.3
57.03444	0.3
59.01377	1.1
61.98830	100.0
70.52475	0.8
71.63594	0.3
75.65520	0.3
83.10893	0.3
87.97494	0.2
90.19167	0.2
90.89851	0.3
94.52090	0.3
96.96030	0.4
98.73756	0.3
99.80614	0.3
101.02421	0.5
111.08183	0.4
197.11845	1.8
241.04022	0.3
253.09459	1.0
291.19785	0.4
309.20685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	0.4
59.01376	1.9
61.98831	100.0
65.43616	0.5
68.04755	0.5
71.01391	0.5
94.98697	0.5
122.42881	0.5
127.65563	0.4
159.88179	0.5
162.53407	0.6
182.33159	0.5
197.11873	2.1
224.01102	0.5
229.39993	0.5
253.09375	1.1
291.19794	0.6
309.20810	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	24.4
60.85347	3.1
61.98838	33.9
69.03462	5.0
71.01393	7.8
73.02927	4.2
83.05016	7.3
87.00929	4.3
89.02496	4.8
98.19929	7.6
111.81433	3.2
112.17848	3.2
123.08117	4.4
125.09739	4.6
151.11258	4.5
161.09726	9.4
179.10756	17.7
186.97246	3.5
197.11824	100.0
198.12079	3.6
201.11334	36.5
207.10222	3.5
209.11839	48.4
227.12918	7.2
241.10814	11.6
281.16528	3.7
289.18130	5.3
307.38434	3.1
315.14474	12.7
368.58572	3.6
383.42804	3.4
393.37814	3.7
457.28821	3.6
499.25516	21.0
525.27057	94.6
526.27362	10.1
543.27698	20.9
543.33685	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91404	0.8
57.03448	4.2
59.01388	3.7
68.99809	1.1
70.56628	2.6
71.01390	7.8
72.99294	2.1
75.00864	1.3
83.01405	1.0
84.02169	1.1
85.02954	48.8
86.03294	1.3
87.00902	2.9
89.02455	4.6
93.03461	1.5
96.95986	0.8
103.00379	1.4
115.00356	1.0
129.01938	2.6
133.01485	4.8
135.04567	4.6
137.02486	1.3
147.02960	2.4
149.00981	1.9
155.03542	0.9
173.04559	3.2
191.02017	11.8
191.05623	1.8
198.04567	1.0
209.03036	100.0
371.06055	4.8
544.13770	4.3
545.12860	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	543.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01815	0.6
50.62244	0.6
59.01379	100.0
61.98820	0.7
64.44698	0.6
71.15141	0.6
71.20747	1.3
95.63467	0.6
260.74509	0.7
260.99026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03005	1.5
57.03425	1.7
58.00595	3.8
59.01381	97.1
61.49986	1.6
61.98830	55.2
66.87446	1.6
69.36639	4.0
69.37038	11.6
71.01012	3.5
71.01384	54.4
72.99293	4.1
73.02955	12.3
75.52022	1.5
83.01364	2.6
85.02950	7.5
87.00871	4.8
88.98795	3.4
89.02448	93.1
93.03453	1.5
94.09792	1.7
94.98047	1.8
96.95973	1.7
99.00877	2.0
100.26922	1.6
100.96878	1.9
101.02453	44.6
106.43941	1.5
109.02940	2.2
113.02466	10.8
119.03481	6.8
125.02395	4.2
131.03510	35.4
139.04018	2.0
149.04559	100.0
151.07686	2.7
156.34103	1.6
161.04512	2.7
165.41023	1.7
182.77364	1.6
191.05585	16.1
311.09930	2.0
483.22202	7.0
483.33310	1.9
536.70398	2.0
543.34949	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	543.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.28726	0.3
57.03438	1.4
58.00582	1.1
59.01379	16.9
61.98836	1.6
69.48939	2.3
71.01382	13.7
72.99299	0.9
73.02947	3.4
75.00894	0.5
83.01387	2.6
85.02949	5.9
87.00858	1.1
89.02447	7.8
94.98079	0.4
95.01368	0.7
95.31967	0.3
96.96027	0.6
97.02950	0.4
98.19895	0.6
99.00884	1.0
99.04476	0.4
101.02443	11.5
101.03109	0.7
108.00507	0.3
109.02921	0.4
111.00876	0.4
113.02449	5.9
113.06079	1.0
119.03478	2.8
123.04464	0.3
129.01897	0.4
135.04474	0.4
137.09641	0.6
143.03513	0.5
148.00212	0.3
149.04559	0.5
158.30768	0.3
159.03036	0.5
160.04010	0.8
161.04510	1.3
179.05627	0.7
181.08736	1.2
257.15463	3.6
270.12988	0.4
271.16962	0.3
273.18628	2.9
291.19702	1.5
301.18124	0.7
317.17557	12.0
318.17874	0.6
319.19131	1.8
329.17426	0.5
335.18613	9.8
335.22711	0.6
336.18988	0.6
337.20023	0.6
345.16885	1.8
363.18042	1.7
369.13089	0.5
414.24487	0.4
497.16656	0.6
497.23956	10.4
498.24686	0.6
499.25580	1.3
525.23450	12.4
526.23834	0.7
543.24438	100.0
544.16730	0.5
544.24847	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	543.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99987	0.8
55.01888	1.0
55.31974	0.8
57.03458	2.5
58.02975	2.9
59.01377	28.0
61.98835	1.3
64.74480	0.7
69.03473	1.3
69.54601	2.9
69.55013	2.2
71.01378	16.9
72.00909	1.8
72.99311	4.0
73.02957	1.5
75.00875	8.3
83.01391	1.1
85.02947	19.1
87.00871	7.8
89.02439	7.8
91.03989	1.0
92.05028	1.7
92.75190	0.8
95.01402	4.1
96.00922	0.8
98.19949	1.4
99.00878	7.2
101.02455	1.9
102.01999	1.2
103.00377	2.6
111.00879	1.6
113.02448	31.1
115.00362	1.8
117.01959	1.8
118.06631	3.5
119.03497	0.7
125.02460	0.9
128.05042	4.8
129.01953	1.2
131.03763	4.2
135.85634	0.7
137.02359	0.7
144.03401	1.2
144.04544	21.0
145.04892	1.0
146.06094	9.3
149.04597	1.2
153.01866	1.1
157.01411	1.1
160.04100	1.6
169.10617	0.8
170.06081	3.8
172.04012	4.8
175.02490	1.6
188.07207	2.1
190.05072	12.2
193.03506	3.1
195.06554	1.1
205.07132	2.6
207.05067	2.1
207.07785	1.1
213.06688	5.2
231.05176	0.9
231.07767	2.3
249.06221	11.6
249.08798	2.3
267.07196	100.0
268.07571	3.6
275.06696	5.7
291.07187	10.8
335.06183	21.3
335.09357	0.5
347.62585	0.8
352.08810	10.1
363.05270	0.8
455.84464	0.8
542.29126	0.8
543.14575	27.5
544.14667	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	542.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
61.11076	0.2
61.98832	100.0
66.36142	0.2
69.22698	0.7
69.23122	1.0
71.01401	0.5
73.27402	0.2
89.02467	0.2
95.28797	0.2
113.02466	0.2
124.16718	0.2
232.93570	0.2
448.15359	0.4
506.26410	0.4
542.17773	0.4
542.25244	0.5
542.33911	0.4
543.23914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98832	100.0
71.01385	1.2
71.52365	0.5
89.02446	0.8
96.96001	0.5
101.02434	0.7
107.11312	0.3
113.02428	0.6
122.03796	0.4
132.78656	0.3
147.04010	0.4
149.04587	0.7
175.03860	0.4
177.22577	0.4
226.93723	0.4
266.37781	0.4
291.19470	0.4
345.26617	1.0
406.70001	0.4
443.10495	0.4
542.34045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15098	0.4
59.01370	4.1
61.98830	100.0
70.16984	0.4
71.01381	1.5
72.99301	0.6
85.02972	1.2
87.00895	0.6
88.98802	2.7
89.02471	0.5
89.93193	0.4
93.03457	3.6
96.96024	1.2
98.20673	0.8
101.02489	1.2
109.02979	2.5
111.04543	1.0
113.02463	0.6
116.05090	1.1
123.04526	0.5
125.02458	1.1
128.03624	0.5
133.02950	0.7
135.04549	1.7
137.02493	0.9
142.06670	0.5
150.03305	0.6
151.04088	0.6
155.03519	0.7
160.04076	1.9
173.04543	14.6
174.04846	0.5
179.03546	0.8
189.01912	0.5
191.05661	0.8
205.05074	0.7
264.10300	0.4
323.05643	1.1
324.12393	2.1
353.06790	0.7
369.13593	0.7
422.12360	2.6
542.16425	3.3
543.17987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
60.99305	14.2
61.98823	1.6
69.50840	2.3
71.01398	0.3
78.95908	0.6
87.00846	0.4
88.00402	1.1
88.98804	100.0
89.02444	3.5
91.09128	0.3
101.02398	0.4
109.02933	0.5
116.03969	0.3
117.97571	0.3
173.04573	0.4
292.05420	0.3
327.05090	0.4
341.06793	0.9
389.24570	0.4
451.10318	0.8
536.57184	0.5
541.16022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3144
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
54.59755	8.4
59.01376	42.8
61.98829	68.3
67.42555	11.0
69.22913	93.2
71.01396	13.2
88.77530	10.1
110.78535	8.9
179.88873	10.1
197.11809	34.3
237.71115	10.3
505.34024	17.7
523.25415	22.9
541.32123	100.0
542.31763	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	541.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
56.93880	1.0
57.03445	2.3
58.00582	1.9
59.01383	50.4
61.98837	6.1
69.30035	6.2
69.30440	2.3
69.96497	0.9
71.01384	28.1
72.99323	2.3
73.02950	5.9
79.09798	1.0
83.01378	6.2
85.02964	9.6
87.00876	2.5
89.02437	20.9
95.01358	1.0
97.02985	2.7
99.00866	5.4
101.02443	31.1
113.02458	11.3
118.14202	1.1
119.03498	9.9
125.02431	3.0
131.80615	1.2
143.03485	4.6
161.04547	2.8
179.05556	6.3
182.14061	1.0
185.04546	2.6
221.06551	1.5
288.01236	1.0
319.21182	8.2
481.26529	100.0
482.26941	6.9
487.01974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	86.1
61.98819	45.6
69.75164	16.6
69.75564	25.6
71.01379	18.1
73.02943	7.9
85.02965	11.8
87.00888	10.0
87.04523	7.4
89.02457	12.0
98.19987	13.9
101.02406	15.6
107.14801	6.5
113.02413	11.2
116.11672	6.5
117.07106	53.8
125.09750	8.2
129.12048	6.4
135.08147	9.2
148.18953	6.6
197.11855	11.8
207.05782	6.4
222.26851	9.1
238.26802	7.9
253.09341	9.2
287.16449	40.2
305.17520	20.0
325.19659	7.0
349.20175	100.0
350.20929	9.9
505.33722	21.4
523.25409	79.6
541.32166	69.1
549.57593	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	541.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05658	0.7
56.61986	0.8
59.01381	8.4
60.99005	1.2
60.99305	16.3
61.17027	0.7
61.98534	0.9
61.98834	12.5
70.93931	1.7
71.01373	3.0
73.02940	1.3
75.00900	0.6
82.95409	1.8
83.01414	0.9
85.02950	1.4
88.98804	100.0
89.02444	1.8
93.03432	0.8
101.02440	2.0
109.02966	8.8
113.02422	1.9
123.04488	4.5
123.99312	0.7
125.02428	1.1
131.54178	0.7
133.02963	1.6
135.04543	1.4
143.03558	0.6
143.04674	0.7
145.02975	0.9
147.04494	0.8
150.18877	0.7
151.04048	3.5
161.02455	3.3
161.04518	1.4
165.01926	0.7
173.01112	0.7
173.50027	0.6
177.01915	9.5
187.04086	1.3
189.01930	12.0
190.02710	3.7
191.03458	2.4
203.03564	0.9
216.00607	2.3
217.01395	8.9
218.02095	1.3
219.02948	5.0
231.02979	4.3
281.04578	3.1
289.07117	1.2
297.07574	2.5
299.05539	2.0
341.06628	56.6
342.07025	2.1
451.10318	46.6
452.10556	2.9
500.15482	0.8
540.33484	1.3
541.25739	1.1
541.33960	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	540.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34002	0.9
61.98834	100.0
62.65707	0.8
71.27662	1.9
159.26338	0.9
204.85274	1.1
210.93082	0.9
229.34703	1.0
326.25507	1.1
423.22302	1.0
551.16357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14312	1.5
57.03420	1.7
57.28509	1.5
59.01380	30.9
60.99308	16.5
61.98830	24.1
71.01382	7.4
72.63000	1.8
82.95419	4.1
88.98804	74.8
89.02438	4.8
97.02962	3.7
98.19913	6.5
101.02431	5.0
109.02964	15.2
113.02430	2.2
119.03508	4.2
123.04507	7.2
133.02988	2.1
134.03737	11.0
147.04480	4.1
149.06068	5.1
151.04007	5.2
161.02438	4.8
161.04546	2.8
175.04005	2.8
177.01917	18.6
178.02661	2.8
189.01918	39.6
190.02695	9.8
191.03564	9.1
193.05069	20.2
203.03439	4.9
216.00656	7.1
217.01402	38.7
218.02159	2.5
219.02991	16.1
231.02946	10.6
259.26556	1.9
289.07230	2.5
319.18677	2.1
341.06638	100.0
342.06918	6.7
369.37915	1.7
451.10339	98.8
452.10574	9.5
481.24695	5.9
499.52045	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	540.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04673	0.4
61.98830	100.0
71.23574	0.8
78.95911	0.9
106.78236	0.5
193.92905	0.4
206.23198	0.4
218.20473	0.5
254.56914	0.4
409.49255	0.5
486.84521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.0
61.98830	17.6
63.56463	1.2
65.13789	1.2
65.62725	1.3
67.50305	1.2
69.03442	9.3
71.01369	1.5
71.05008	2.0
85.70002	1.4
95.59818	1.3
97.06577	2.1
113.07065	1.3
123.08134	1.9
125.09721	4.0
135.24971	1.3
151.11261	3.7
153.12898	2.7
161.09717	4.7
179.10782	13.5
197.11827	80.8
198.12122	2.8
209.11877	1.6
223.09814	2.3
241.10802	12.5
269.05283	1.4
305.41736	1.4
311.22076	1.9
315.14410	7.5
495.25894	4.5
539.24927	100.0
540.25208	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	539.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
58.00596	2.3
59.01376	100.0
61.98535	2.1
61.98831	30.1
69.03442	1.6
71.01382	43.9
71.09785	2.5
72.28323	1.1
72.99305	5.1
73.02946	30.4
75.00870	5.3
78.95864	1.5
81.04507	1.2
83.01400	4.7
85.02948	16.7
87.00864	11.2
87.04519	4.2
88.98817	5.1
89.02441	37.8
93.03452	3.1
95.01394	1.5
96.96001	3.5
99.00845	2.8
99.04503	3.1
101.02439	62.5
103.04012	22.9
106.78709	1.2
109.02937	3.0
113.02455	7.7
115.04015	4.1
115.34703	1.4
119.03495	14.2
125.02443	4.7
131.03502	10.8
133.03027	1.6
135.04575	1.6
143.03499	16.3
145.05115	7.1
161.04510	1.4
163.06113	93.6
164.06409	1.7
173.04535	2.8
175.02425	1.7
179.03461	1.8
179.05589	1.7
191.03500	1.8
205.05249	2.8
205.07147	29.1
235.08437	1.4
265.09320	10.0
289.20309	1.8
307.10675	1.6
325.11481	1.8
327.05136	2.0
328.05359	4.3
333.18979	2.0
377.29037	2.7
391.27136	1.5
476.08771	2.0
479.24896	34.7
480.24854	1.9
497.25970	3.8
539.14337	3.3
539.26721	5.3
539.34357	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	539.2269
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
58.36175	7.2
59.01381	37.7
61.59116	5.6
61.98826	44.3
63.33936	6.1
69.85519	20.8
71.01389	21.5
85.02947	9.9
87.68597	5.8
88.98812	29.4
89.02457	19.1
99.00925	6.7
101.02454	16.1
132.83563	6.0
149.04510	19.9
162.18979	6.7
175.11115	6.9
211.13403	13.2
252.24635	6.8
264.93188	6.1
539.22430	100.0
539.33295	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	539.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03436	1.0
59.01390	17.0
60.99311	3.7
61.98835	1.5
71.01381	17.2
71.52076	1.9
72.99291	1.2
73.02957	6.4
75.00861	2.0
83.01402	5.4
85.02953	10.2
87.00878	2.5
88.98808	17.0
89.02442	2.8
89.99129	1.8
90.99205	2.0
93.03453	2.5
95.01361	2.0
99.00868	4.1
101.02457	14.6
106.29224	1.1
108.02166	2.8
109.02952	9.2
111.00854	1.8
113.02447	4.6
115.00375	1.8
119.03520	0.9
119.05035	1.1
121.02969	7.9
122.03744	3.6
123.04492	2.2
132.02197	1.6
133.02950	12.8
134.03673	4.5
135.04535	32.3
136.01671	1.4
136.05136	1.7
137.02411	1.4
145.01469	1.1
147.04536	2.0
148.05318	1.1
149.01279	1.9
149.02455	31.1
149.06042	2.1
150.03238	40.7
151.03949	1.5
155.03479	1.2
161.02481	5.8
161.04593	2.0
161.06107	3.0
163.03996	1.4
164.04814	6.7
165.04184	2.1
165.05585	32.6
166.06311	4.6
167.07143	1.3
167.57304	1.0
173.04591	1.6
175.04073	1.4
179.03514	11.5
180.04279	2.7
181.08682	5.0
195.06616	14.0
199.03990	1.1
208.60669	1.0
242.05873	9.3
243.06554	2.1
269.08167	1.6
271.09683	10.2
272.10129	1.1
283.09805	1.6
284.03345	1.6
284.22937	1.0
285.04068	2.7
286.04077	1.7
287.04749	1.4
297.03973	2.6
298.04556	4.2
299.05457	6.6
300.05612	1.9
301.06195	2.6
314.11517	6.6
315.12354	1.3
327.05060	22.3
328.05499	11.6
329.05719	23.3
329.13989	11.0
343.14560	10.0
357.06125	4.0
357.15460	1.2
358.06467	2.0
359.06897	8.1
377.69763	1.1
391.13943	3.3
433.12708	2.4
447.09412	11.2
448.09503	2.2
449.03809	1.7
449.09894	27.4
450.09985	1.4
477.12338	1.9
491.19263	100.0
492.19623	8.4
495.12769	1.6
507.09332	1.9
508.09628	1.2
521.11072	1.2
539.12006	6.7
539.21393	13.8
539.34106	2.2
540.12347	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	539.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03436	1.0
59.01390	17.0
60.99311	3.7
61.98835	1.5
71.01381	17.2
71.52076	1.9
72.99291	1.2
73.02957	6.4
75.00861	2.0
83.01402	5.4
85.02953	10.2
87.00878	2.5
88.98808	17.0
89.02442	2.8
89.99129	1.8
90.99205	2.0
93.03453	2.5
95.01361	2.0
99.00868	4.1
101.02457	14.6
106.29224	1.1
108.02166	2.8
109.02952	9.2
111.00854	1.8
113.02447	4.6
115.00375	1.8
119.03520	0.9
119.05035	1.1
121.02969	7.9
122.03744	3.6
123.04492	2.2
132.02197	1.6
133.02950	12.8
134.03673	4.5
135.04535	32.3
136.01671	1.4
136.05136	1.7
137.02411	1.4
145.01469	1.1
147.04536	2.0
148.05318	1.1
149.01279	1.9
149.02455	31.1
149.06042	2.1
150.03238	40.7
151.03949	1.5
155.03479	1.2
161.02481	5.8
161.04593	2.0
161.06107	3.0
163.03996	1.4
164.04814	6.7
165.04184	2.1
165.05585	32.6
166.06311	4.6
167.07143	1.3
167.57304	1.0
173.04591	1.6
175.04073	1.4
179.03514	11.5
180.04279	2.7
181.08682	5.0
195.06616	14.0
199.03990	1.1
208.60669	1.0
242.05873	9.3
243.06554	2.1
269.08167	1.6
271.09683	10.2
272.10129	1.1
283.09805	1.6
284.03345	1.6
284.22937	1.0
285.04068	2.7
286.04077	1.7
287.04749	1.4
297.03973	2.6
298.04556	4.2
299.05457	6.6
300.05612	1.9
301.06195	2.6
314.11517	6.6
315.12354	1.3
327.05060	22.3
328.05499	11.6
329.05719	23.3
329.13989	11.0
343.14560	10.0
357.06125	4.0
357.15460	1.2
358.06467	2.0
359.06897	8.1
377.69763	1.1
391.13943	3.3
433.12708	2.4
447.09412	11.2
448.09503	2.2
449.03809	1.7
449.09894	27.4
450.09985	1.4
477.12338	1.9
491.19263	100.0
492.19623	8.4
495.12769	1.6
507.09332	1.9
508.09628	1.2
521.11072	1.2
539.12006	6.7
539.21393	13.8
539.34106	2.2
540.12347	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	539.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52865	0.6
57.03429	1.5
58.00588	0.7
59.01379	14.0
60.99010	0.8
60.99311	16.4
61.98832	17.2
69.18606	6.1
71.01389	7.4
72.99307	1.8
73.02938	2.6
75.00860	1.7
83.01404	2.3
85.02939	3.2
87.00880	1.3
88.98809	100.0
89.02460	3.3
89.02921	0.6
89.99149	0.9
95.01395	0.7
99.00861	1.2
101.02450	7.2
109.02956	0.9
113.02438	2.7
119.03513	1.2
121.02962	0.7
123.04531	0.7
125.02444	2.1
135.04530	3.5
149.04546	1.1
151.00343	2.4
161.04543	1.8
163.06142	1.9
167.03638	0.6
173.04506	1.1
175.03958	0.7
189.01878	0.7
191.05638	1.1
243.70100	0.6
246.97112	0.5
287.05676	2.5
289.07269	1.1
289.20038	0.8
293.47406	0.6
333.19168	2.2
341.06522	0.6
375.27405	0.9
376.27908	2.1
377.28348	1.2
391.26971	1.1
442.14331	0.6
449.10608	2.0
463.86951	0.7
471.31570	0.6
479.24896	8.2
497.25790	2.1
503.24905	5.5
514.59503	0.7
538.33136	20.6
539.21783	5.5
539.33746	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	538.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64716	0.9
52.71976	1.0
57.44704	1.0
61.98833	100.0
70.06829	4.3
73.88525	1.0
98.19975	1.3
100.04397	1.0
218.02533	1.1
285.17694	1.0
300.86661	0.9
311.66119	1.0
332.81577	1.1
387.28171	1.0
426.65219	1.4
540.96393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00398	0.6
56.11440	0.5
61.98830	100.0
69.91489	3.3
96.95440	0.8
131.45313	0.7
274.26733	0.7
360.83142	0.7
545.29846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39268	0.4
59.01379	2.7
60.99303	15.9
61.98820	1.5
65.00320	0.6
71.01382	1.2
71.07819	0.5
71.08135	0.7
82.66298	0.4
85.02971	0.8
88.98804	100.0
89.02459	0.4
89.99121	0.6
101.02431	1.2
107.01382	1.6
109.02953	0.5
113.02439	0.5
123.08204	0.5
125.02433	0.7
135.04523	8.0
151.00363	12.4
224.29033	0.5
252.95193	0.5
287.05591	11.1
288.05933	0.6
449.10861	12.7
449.16995	0.8
479.24976	0.7
538.32941	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	538.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.9
61.98830	100.0
69.29472	2.0
69.29884	5.5
85.70504	0.8
96.96013	1.7
442.90955	0.9
478.39581	2.5
538.33203	1.2
539.34277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.0
61.98832	100.0
70.06826	9.1
91.87771	2.4
96.95971	2.7
121.80676	2.3
173.55029	2.3
200.42076	2.3
215.75908	2.6
339.30457	2.7
340.08899	2.5
538.33130	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	538.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.9
61.98834	100.0
79.28104	3.1
82.03939	2.8
96.66103	2.9
96.96033	13.2
111.56709	3.2
119.36591	3.6
147.24203	3.8
201.28690	3.3
203.31746	3.4
464.81287	4.2
538.32855	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	537.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
56.19340	0.2
57.03451	1.5
58.00576	0.7
59.01379	12.8
60.99289	0.8
61.98831	3.5
69.03474	0.5
69.43624	1.3
69.44025	0.5
70.92728	0.2
71.01380	8.8
72.99323	1.2
73.02947	3.3
75.00867	0.7
80.91685	0.3
81.03447	0.4
83.01387	1.5
85.02534	0.3
85.02959	3.5
85.06573	0.5
86.00105	0.4
87.00880	1.1
88.98808	2.9
89.02441	4.4
95.01379	0.9
97.02969	0.3
97.14642	0.2
99.00896	0.6
101.02444	6.3
103.03988	0.7
109.02962	0.6
111.00913	0.6
113.02439	2.2
119.03508	1.2
123.00910	0.3
123.04545	0.4
124.01634	0.7
125.02429	1.0
131.03479	0.4
133.02951	0.6
135.04517	0.3
137.02409	0.3
142.01111	0.2
143.03497	0.4
153.01855	0.3
161.04599	0.2
163.04007	0.4
163.06134	2.2
173.04550	0.5
179.03395	0.3
183.13895	0.4
190.02559	0.4
197.15427	0.6
204.79842	0.2
205.07156	0.9
227.12712	0.5
227.59702	0.2
237.22270	0.6
277.10757	0.4
283.22729	0.3
284.03262	0.3
285.04041	5.5
286.04346	0.5
289.07434	0.3
299.05740	0.5
327.05063	2.2
327.25397	0.9
329.23276	0.3
357.06036	0.5
357.26413	4.5
373.26065	0.2
375.20258	0.4
375.27493	12.6
376.27835	0.9
417.28296	0.4
447.09293	3.7
448.09793	0.6
477.23550	0.3
477.30417	0.8
489.30624	0.4
519.31793	2.4
537.32776	100.0
538.33112	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03437	0.8
58.00599	0.7
59.01112	0.6
59.01382	11.1
61.98585	0.5
61.98833	5.5
69.52513	1.3
69.52948	1.9
71.01380	7.6
72.75756	0.5
72.99304	1.6
73.02949	3.1
75.00863	0.9
76.64381	0.5
83.01373	1.8
85.02947	3.7
87.00873	4.8
88.98801	2.1
89.02421	2.3
95.01433	0.8
95.60806	0.5
99.00885	0.7
101.02444	3.8
103.00371	0.5
109.02967	0.6
111.00935	1.1
112.98087	0.6
112.98816	2.0
113.02442	2.4
124.01608	0.6
125.02429	1.4
135.04482	0.7
149.00931	0.9
179.03358	0.6
197.19084	0.7
205.05115	0.7
243.19626	17.5
244.20029	0.8
257.17783	0.6
287.22479	2.8
299.93414	0.5
327.05020	1.6
357.06198	0.6
375.27289	0.9
387.23883	3.5
405.24911	100.0
406.25320	5.1
447.09451	1.7
483.11707	0.6
537.24713	2.3
537.31866	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	537.328
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01871	0.7
57.03448	1.8
59.01382	8.3
59.35037	0.2
60.99296	0.5
61.55613	0.2
61.98831	1.2
62.44676	0.3
71.01014	0.3
71.01389	5.4
71.53123	0.5
72.99301	0.7
73.02946	1.7
83.01398	1.3
85.02948	2.3
86.00093	0.5
87.00877	0.8
88.98817	2.0
89.02449	1.4
89.93076	0.2
95.01379	0.5
97.02979	0.2
97.06577	0.3
99.00856	0.8
99.08169	0.4
101.02441	3.5
103.46347	0.2
111.00886	0.6
113.02458	1.2
119.03521	0.2
125.02447	0.9
131.91145	0.2
133.22868	0.2
143.10738	0.9
161.04596	0.3
163.06076	0.6
173.04604	0.3
183.13936	1.1
205.07210	0.3
207.15068	0.2
267.23282	0.3
269.21033	0.5
285.03934	0.5
327.05148	0.7
327.25415	0.6
357.26556	1.2
375.22733	0.5
375.27518	10.4
376.28149	0.7
389.25241	1.1
417.28561	0.3
447.09467	0.8
477.23431	0.6
489.30670	0.6
519.31757	2.1
537.32794	100.0
538.33148	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	537.255
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
54.64314	0.4
55.01879	0.6
56.40085	0.4
57.03444	5.1
58.00599	3.1
59.01378	78.7
60.01709	0.4
61.98825	0.8
64.32502	0.5
69.03455	1.1
70.10780	0.4
71.01379	56.6
71.52245	0.4
72.01728	0.5
72.99301	4.2
73.02945	11.1
75.00861	0.7
78.74528	0.4
80.89228	0.4
83.01392	2.6
85.02948	9.5
86.00111	1.3
87.00874	11.9
87.01376	0.7
89.02442	100.0
90.02795	1.5
95.01402	1.2
97.02953	1.1
99.00884	1.4
99.04563	0.6
101.02441	43.6
102.02771	0.8
103.00343	2.6
107.95911	0.4
111.00880	1.0
112.98822	5.3
113.02447	10.0
119.03503	8.5
123.08150	0.5
125.02448	3.4
129.01953	0.5
130.99879	0.9
131.03502	48.2
132.03822	0.6
135.04475	0.6
141.05643	0.4
143.03511	1.4
149.04552	82.1
150.04886	1.2
161.04579	1.7
167.10750	1.3
173.04507	1.0
179.05632	2.4
191.05600	27.3
192.05913	0.9
215.05583	0.5
233.06563	0.5
251.07806	1.6
263.15320	0.4
267.06628	0.5
293.08783	1.9
297.11334	0.5
311.09933	0.7
389.18082	0.5
405.21219	4.7
501.70392	0.4
519.24542	0.8
537.25818	44.1
538.26056	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	537.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00220	2.5
57.03444	2.9
58.90026	2.2
59.01381	100.0
61.98535	4.6
61.98832	67.5
69.40816	7.4
69.41238	13.3
71.01385	20.9
72.99295	7.1
73.02956	6.9
75.00884	6.4
83.01383	2.9
85.02950	12.5
88.98794	10.9
89.02420	8.7
93.03462	2.8
97.80860	2.7
99.00848	3.7
101.02436	14.3
103.00381	32.3
109.02942	3.9
111.04491	2.7
113.02460	5.8
115.05872	2.5
115.91142	2.9
116.88342	2.6
119.05009	2.5
121.03000	3.0
123.04466	3.1
125.02476	6.1
135.04523	2.9
136.07204	3.1
137.02419	3.6
150.05702	2.9
159.10240	13.8
161.04538	3.8
169.02597	3.2
169.06602	5.9
170.62604	2.5
171.08147	3.2
173.04428	3.3
204.66830	2.3
247.19916	2.5
271.16803	2.8
287.22226	3.7
297.03946	2.6
319.08542	2.7
327.05035	9.2
328.81143	2.9
355.91107	3.0
375.27325	3.2
447.09171	10.2
537.23346	77.5
537.32422	39.7
538.23712	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	537.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34631	1.4
57.03450	2.7
58.00591	4.5
59.01384	100.0
60.99285	1.9
61.98832	19.9
69.03448	1.7
69.31513	12.6
71.01388	25.1
72.99332	7.7
73.02948	18.1
74.02449	1.8
75.00866	5.1
83.01393	4.1
85.02988	8.9
86.87105	1.7
87.00883	2.6
88.98801	7.5
89.02450	11.2
95.01366	3.1
95.53249	1.6
96.96009	4.2
99.00880	3.9
99.12580	1.5
99.84016	1.5
101.02448	17.8
102.99727	2.5
103.00382	40.9
108.02206	2.2
109.02937	4.3
113.02482	8.8
119.03461	2.0
119.04966	2.5
120.03607	1.6
123.04562	2.8
125.02478	3.0
135.04501	4.7
137.02412	2.3
145.02957	3.9
161.04539	5.1
173.04567	2.8
211.09076	1.5
241.14394	4.3
253.09444	1.8
285.03958	3.3
299.05377	2.3
306.20044	1.7
327.05090	8.7
357.06055	1.9
357.26282	2.5
375.27353	5.5
387.78366	1.7
433.22269	4.4
447.09216	7.1
477.30859	2.3
519.20197	10.6
536.31329	3.5
537.23352	80.5
537.32520	54.8
538.15955	2.3
538.23431	12.0
538.31696	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	537.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20507	1.3
57.03434	2.0
58.00591	3.2
59.01385	82.1
70.37284	4.3
71.01387	16.8
72.99314	21.3
73.02943	4.7
75.00893	1.2
81.27752	1.3
84.99296	3.7
85.02962	5.2
87.00881	56.6
89.02454	24.8
93.03461	2.1
97.02931	1.9
101.02448	9.5
103.00378	38.9
103.01073	2.2
105.01935	3.4
111.04551	1.5
112.98824	54.1
112.99618	3.2
113.02441	7.1
119.03506	6.3
125.02435	8.9
125.79502	1.3
130.99867	13.1
131.03519	5.9
133.02937	1.3
135.04514	3.0
137.02441	4.0
149.00812	1.5
149.04532	9.2
161.04567	2.7
167.03543	1.8
173.04573	7.4
179.05659	5.7
191.05669	6.9
192.03085	3.2
197.04594	6.5
216.22896	1.1
239.05627	2.4
249.06198	1.6
269.06656	4.6
389.13745	1.5
405.21237	10.4
447.09286	2.6
519.22552	1.6
537.21918	100.0
538.22772	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	537.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30038	1.0
53.06396	0.9
58.00579	2.8
59.01384	100.0
61.98820	1.0
63.38006	0.9
66.57735	1.0
70.02065	3.9
70.02463	2.1
70.61782	0.8
71.01382	6.6
72.99316	12.7
75.00851	1.3
83.01394	1.1
84.99317	3.0
85.02953	2.5
87.00883	23.9
89.02453	10.3
96.96001	0.9
98.20042	1.6
101.02441	4.0
102.46326	1.0
102.71421	0.8
103.00380	40.0
103.06274	1.0
111.00888	3.4
112.98821	48.2
113.02445	3.0
119.03483	4.0
125.02400	1.3
130.99861	11.7
131.03490	0.9
135.04613	1.0
143.03511	1.2
145.16640	1.0
149.00896	2.0
161.04637	1.4
173.04591	1.7
174.99043	0.9
179.05598	3.1
188.99014	0.9
191.05547	1.6
224.66719	1.0
405.21387	10.2
462.15085	1.1
465.12976	0.9
537.21899	95.1
538.22260	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	537.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98797	0.9
59.01379	9.9
59.38374	0.9
60.99313	17.3
61.98825	1.5
68.76303	1.1
69.36166	1.3
69.36499	8.5
71.01382	4.0
72.99329	1.2
74.35786	0.9
75.00901	2.5
77.97079	1.0
85.02955	2.3
88.98814	96.8
89.02473	1.9
101.02432	2.6
113.02453	3.7
119.03485	1.3
133.02972	2.3
151.00368	2.0
227.12868	1.1
230.43768	1.1
230.99123	1.2
231.01506	1.1
249.06137	2.0
256.03729	1.7
267.07333	1.1
284.03296	39.7
285.04068	89.1
286.04462	5.4
286.21222	1.0
327.05029	1.5
329.45377	1.3
375.27344	1.1
447.09348	100.0
448.09604	7.5
502.71985	1.5
537.14276	1.3
537.21924	14.9
537.32544	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	536.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.2
61.98832	100.0
63.78299	0.9
71.51459	1.1
74.02483	1.4
79.28500	1.0
79.95734	1.8
80.96513	9.2
86.02459	1.5
94.98074	2.4
96.95988	1.6
99.05636	1.7
125.14798	1.3
128.03506	6.1
143.04645	6.7
160.00768	2.8
179.04692	1.6
210.08890	1.2
220.01605	1.0
225.00705	4.1
254.07698	1.6
255.23224	4.0
272.08881	2.4
306.07532	5.8
334.43225	1.0
537.32092	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	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.5
60.99312	8.9
69.42336	7.1
71.01368	2.0
81.87333	1.1
85.02947	2.1
88.98804	48.5
94.67001	0.9
94.83544	1.0
98.11333	1.1
101.02464	1.2
113.02483	1.6
121.02935	1.3
125.02387	1.6
133.02966	9.1
149.02463	1.6
163.00397	1.4
163.04100	2.4
165.01987	1.1
175.04005	2.3
191.03476	1.2
193.01433	2.0
199.03999	1.8
253.05147	1.2
284.03165	7.5
285.04019	7.0
297.03998	15.6
298.04834	7.2
299.05579	14.4
309.04172	1.5
311.05667	2.5
327.05078	100.0
328.05457	5.1
339.04947	3.1
357.06128	22.7
358.06406	1.7
369.05997	1.8
391.23224	2.1
447.09320	77.8
448.09409	5.8
537.29016	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	536.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55765	1.8
61.98834	100.0
69.01965	1.4
70.41850	1.7
77.84881	1.4
103.60054	1.5
132.15427	1.4
146.74295	1.5
203.64127	1.8
229.19597	1.7
266.20761	1.6
470.65222	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	536.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19751	1.4
59.01379	24.2
60.01722	1.7
61.98830	100.0
76.54154	1.3
78.41917	1.4
80.83702	1.4
80.96521	3.7
83.23270	1.4
90.83311	1.3
96.96011	4.4
128.03548	2.0
143.04649	1.8
154.79390	1.3
223.60648	1.3
260.58652	1.6
299.72470	1.7
429.99420	1.7
469.20059	1.8
537.32416	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	536.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26377	1.1
55.89549	1.3
56.34315	1.2
57.03436	1.6
59.01074	1.4
59.01382	58.1
60.99303	3.6
61.98832	100.0
69.27624	3.9
69.28044	8.0
71.01379	18.9
72.01694	1.3
72.99320	1.7
72.99920	1.5
73.02955	7.1
75.00861	1.7
83.01389	3.4
85.02955	7.3
87.00881	3.4
88.98813	24.9
89.02431	11.2
95.01373	2.2
99.00873	2.1
101.02443	15.9
111.00832	1.6
111.03275	1.3
113.02473	9.9
114.62922	1.3
119.03481	3.6
124.01701	1.4
125.02442	2.3
134.99966	1.5
135.04431	1.7
145.19130	1.3
149.02425	1.2
150.13434	1.4
161.04546	4.3
173.04486	3.2
225.14883	3.8
279.64673	1.3
284.03210	10.6
285.04047	17.7
327.04941	2.4
359.07578	1.5
367.25650	1.5
369.19183	29.2
370.19409	1.7
387.20248	16.2
389.25275	1.4
416.25360	1.3
429.21280	19.8
430.21585	1.5
447.09280	29.0
477.24078	1.8
477.31061	1.5
536.22150	5.3
537.33130	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	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73990	0.9
59.01381	100.0
61.98820	2.0
66.12360	0.7
68.60336	0.8
71.50446	0.9
96.95966	1.1
116.79612	0.8
118.47276	0.9
175.04022	0.9
200.47749	0.7
207.14067	0.9
340.16367	0.8
396.78870	0.9
535.29626	2.5
535.37939	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	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86119	1.3
57.03443	1.8
59.01382	39.6
61.98833	100.0
71.01384	15.7
71.52343	1.3
72.99310	1.9
73.02962	10.9
82.95415	1.9
83.01379	2.9
85.02959	7.8
87.00867	1.5
88.98811	2.2
89.02444	7.7
95.01376	1.2
99.00868	1.7
101.02447	12.2
101.77278	1.1
109.02937	2.7
113.02462	8.2
119.03473	3.4
121.02938	1.4
124.01660	1.2
125.02417	1.2
137.09775	1.1
145.02910	2.7
161.04550	1.8
167.03482	1.8
177.01839	1.4
189.01933	1.3
225.15086	1.7
262.88031	1.8
285.03915	1.3
297.03738	1.3
327.05008	1.7
334.18460	1.2
341.06494	3.0
357.26340	2.9
369.19214	13.9
375.27304	7.4
387.20108	7.6
388.80917	1.1
429.21234	7.0
447.09283	1.5
476.29404	1.3
494.30615	2.1
535.31299	5.2
536.23859	2.3
536.31653	23.9
537.15088	1.8
537.23798	6.4
537.32678	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	535.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12535	0.4
59.01382	100.0
60.01723	0.7
61.98820	1.9
69.27789	1.3
69.28214	2.1
71.01371	0.6
71.05017	0.5
73.29958	0.4
96.96015	0.5
111.63490	0.4
111.97368	0.3
190.99359	0.4
213.44955	0.4
263.34940	0.4
281.77390	0.4
355.32578	0.3
383.30188	0.4
385.31400	0.5
399.32657	4.8
401.05701	0.4
415.32166	0.6
475.37897	10.0
475.44565	0.5
476.38531	1.3
521.92285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4002
Annotation	Ekeberin D5
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	0.8
61.98830	3.7
96.96027	0.6
158.93279	0.4
184.34705	0.4
413.31036	0.9
415.32565	0.7
475.37976	3.7
535.33087	0.8
535.40680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83027	0.4
59.01381	100.0
60.01712	0.9
61.98830	1.9
66.59416	0.3
68.00581	0.3
70.92668	0.5
70.92983	0.5
92.89249	0.3
95.17960	0.3
95.84161	0.3
98.80862	0.3
107.62076	0.3
113.00694	0.3
147.45062	0.3
148.85539	0.3
218.36421	0.3
242.86516	0.4
326.23947	0.3
399.32669	0.4
443.35678	0.5
475.37955	3.5
519.37085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98841	1.9
63.56850	0.5
71.01392	0.5
71.51678	0.6
71.90943	0.5
76.87337	0.5
78.95892	0.6
96.96046	0.8
115.35832	0.5
137.60789	0.5
172.28006	0.5
258.91479	0.5
399.32666	4.6
475.37878	9.2
476.38385	0.7
535.30682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98826	11.9
66.52151	2.3
70.99561	3.2
71.25358	2.3
75.14946	2.4
85.02945	3.4
96.96008	5.8
101.60289	2.5
106.77515	2.8
124.83125	2.4
130.69330	2.8
229.37421	3.7
403.32257	2.6
457.36877	9.5
475.31348	4.3
475.37936	49.3
476.38455	6.0
476.45239	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	535.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59102	0.5
51.74649	0.5
59.01382	100.0
61.98839	5.9
64.80661	0.5
79.16804	0.4
80.96545	1.7
96.96030	1.0
98.20686	1.2
103.65336	0.4
128.03595	1.4
143.04662	1.3
179.04655	0.6
181.28572	0.5
229.50563	0.6
254.07965	0.7
256.23761	0.5
272.08994	0.7
274.24506	0.5
306.07809	1.0
326.66507	0.5
475.37930	1.3
534.00531	0.5
544.84741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Antibiotic BU 2867TG
Peak:m/z	Relative Intensity
55.01874	0.9
57.03442	1.0
58.00583	0.4
59.01380	10.4
61.98827	3.3
69.45113	1.8
69.45515	0.7
71.01387	6.7
72.99297	0.6
73.02935	1.9
83.01404	1.4
85.02944	3.3
85.06583	1.1
86.00111	0.6
87.00876	1.3
89.02438	2.3
95.01386	0.6
97.06592	0.8
98.20646	0.6
99.00868	0.9
101.02436	3.7
109.02923	0.6
111.00851	0.6
113.02470	1.6
115.07632	1.2
118.46040	0.3
119.03480	0.4
119.05013	0.3
121.02951	0.5
125.02434	0.7
135.04495	0.5
137.69696	0.3
143.10777	0.3
149.02394	0.4
151.00339	0.3
245.17503	0.7
290.01022	0.3
293.25412	0.3
343.24823	2.8
355.24829	1.2
373.25909	9.7
374.26413	0.6
393.06165	0.7
415.46716	0.3
475.17188	0.3
487.29382	0.5
505.30161	4.5
517.30292	1.6
535.31238	100.0
536.31561	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	535.3124
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01865	0.6
57.03440	1.8
58.00581	0.7
58.26835	0.4
59.01383	18.2
61.69036	0.5
61.98835	7.8
63.33834	0.5
68.87656	0.6
71.01384	10.9
71.05026	0.5
72.99307	1.5
73.02940	3.9
75.00859	1.2
78.95907	0.7
80.66042	0.5
81.03490	0.6
83.01395	2.2
85.02946	5.4
85.06580	0.7
87.00853	1.9
87.08125	0.5
87.28854	0.4
89.02446	5.7
92.32465	0.5
93.03459	0.7
95.01361	1.0
96.96014	3.9
96.96961	0.6
97.06573	1.1
98.95590	3.4
99.00873	1.1
101.02451	7.6
109.02977	2.5
109.72940	0.4
113.02466	4.4
113.06085	0.7
115.07639	0.9
115.92091	0.8
119.03473	1.2
123.04494	1.4
125.02453	1.5
131.03514	0.6
135.03006	1.0
135.04504	1.8
137.02460	0.6
143.10776	1.2
145.02959	1.0
150.03230	0.5
151.00368	1.8
151.04083	1.2
161.02509	0.6
161.04527	0.8
165.05551	0.5
167.03503	1.0
173.04607	0.6
176.03540	0.5
179.05568	0.8
189.01764	0.5
191.05750	0.6
207.05264	0.6
208.06209	0.8
215.03415	0.5
229.01505	0.7
242.02257	0.7
245.17509	1.1
269.00900	0.6
274.01172	1.7
284.03452	0.6
287.05637	0.8
313.23996	0.6
315.89856	0.6
325.23950	0.8
341.06812	1.8
343.24915	3.5
355.24936	4.1
373.13593	0.7
373.25928	12.6
374.26230	0.7
393.06174	4.7
397.35788	0.5
421.20755	0.6
475.29141	1.1
503.09924	1.4
505.29968	3.6
517.30090	1.7
521.70135	0.5
535.31262	100.0
536.23724	1.0
536.31537	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	533.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92760	0.6
59.01382	100.0
59.45037	0.7
61.98830	1.0
62.43520	0.7
62.70605	0.6
70.62922	0.8
70.63255	1.3
77.21846	0.7
127.93751	0.6
471.38391	0.8
473.36618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80703	0.6
61.98829	100.0
69.26463	1.3
69.26871	3.9
71.24033	0.7
96.96024	0.7
102.50428	0.6
127.11117	0.6
171.96790	0.5
174.04521	0.6
299.45282	0.6
307.47192	0.6
368.69910	0.7
403.42288	0.6
532.62329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20800	0.7
55.53574	0.7
61.98833	100.0
93.20235	0.7
98.19875	1.6
185.25882	0.7
268.21350	0.7
280.92404	0.6
303.30942	0.8
319.64233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26122	1.2
53.89317	0.9
57.03446	2.0
59.01377	43.3
61.98808	4.9
63.42216	1.0
67.01885	3.1
69.31884	4.4
69.32306	4.8
71.01378	13.6
72.99296	1.5
73.02943	1.4
75.00867	2.3
85.02949	14.4
87.00864	5.1
89.02425	7.2
93.03455	23.1
99.00894	1.4
99.04459	1.2
101.02427	4.2
103.00384	5.5
105.56688	1.0
109.02946	5.1
111.00874	1.8
111.04473	5.1
112.98827	1.1
113.02431	4.3
119.03510	2.0
120.70626	1.0
127.03975	2.4
135.04472	4.1
137.02417	3.1
149.06108	1.3
155.03500	4.2
173.04547	57.8
175.02440	2.0
175.07639	3.2
185.06058	3.9
187.07552	1.3
191.05609	100.0
192.05940	1.5
198.06908	5.5
211.07620	2.8
213.09206	59.2
214.09721	4.1
227.10780	1.4
229.12329	29.9
230.12651	1.3
249.06053	1.2
267.07098	3.9
273.11313	25.7
283.06174	1.4
299.09238	5.2
311.05481	2.3
311.10410	1.6
317.10278	64.3
318.10645	2.6
361.09204	6.9
431.09695	3.5
482.22757	1.4
491.15549	3.9
535.13721	1.4
535.20111	10.3
545.25903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3849
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01381	100.0
61.98827	2.5
70.92409	2.6
74.71581	1.2
74.99239	1.2
84.02176	2.4
96.68147	1.3
105.69489	1.1
256.10889	1.1
283.30075	1.6
455.35284	4.1
473.36371	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	533.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64259	0.4
59.01380	100.0
61.98838	0.8
62.59693	0.4
64.01830	0.4
65.92486	0.4
125.63775	0.4
148.91443	0.4
231.47922	0.4
383.41177	0.5
455.44910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	0.5
61.98840	0.7
62.84330	0.4
69.43912	2.9
80.10869	0.5
82.80222	0.5
85.06597	0.7
136.27252	0.5
233.87213	0.4
339.27356	0.7
357.27911	3.3
371.29736	1.2
388.74353	0.5
407.33542	0.5
425.34262	1.7
473.36407	9.9
474.36758	1.0
552.83862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61143	1.3
59.01381	100.0
61.98820	1.8
71.51826	2.3
96.95948	1.6
104.73460	1.2
223.93106	1.2
243.00064	1.4
267.36078	1.3
280.46844	1.4
413.30719	1.6
415.32355	1.7
443.35190	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	533.26
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01878	5.2
57.03446	7.0
58.00604	2.8
59.01381	64.2
61.98835	5.0
67.01897	2.3
68.99836	0.6
69.03465	3.0
71.01382	100.0
71.05023	0.3
72.01729	0.7
72.99310	5.5
73.02948	28.3
73.69144	0.4
75.00876	2.1
81.03461	2.2
83.01393	14.1
83.05040	0.8
84.95134	0.7
85.02953	40.8
87.00878	6.8
87.04527	0.6
89.02448	37.6
92.74892	0.5
93.03459	10.8
95.01392	7.4
96.96011	0.8
97.02961	4.3
99.00882	11.3
99.04548	0.9
101.02446	84.6
102.02787	1.1
103.04016	3.5
108.02162	0.9
109.02947	2.3
111.00871	2.9
111.04556	2.3
113.02455	36.6
114.02858	0.5
115.04056	0.6
117.03462	2.2
119.02658	0.8
119.03513	13.9
123.04575	0.8
125.02453	8.2
127.04026	0.8
129.01958	1.9
131.03510	2.8
133.02994	0.5
134.03760	1.8
135.04527	2.2
135.79541	0.4
137.02473	2.7
137.09760	0.7
141.01970	1.1
143.03517	7.6
145.02989	2.0
145.05040	0.6
149.00948	1.2
149.04561	1.2
149.06079	2.8
149.09689	0.5
153.09241	0.6
155.03551	2.2
159.03021	7.0
159.04457	1.0
161.04567	42.7
162.04895	0.8
163.04013	0.5
163.06160	2.6
167.03522	0.4
173.04550	42.7
174.02985	0.4
174.04895	1.2
175.00325	0.9
179.03346	0.5
179.05620	7.7
191.05598	2.6
203.05606	0.5
205.03587	1.1
205.12265	0.5
209.15475	4.7
221.06731	2.3
223.13399	1.4
225.14946	0.7
233.06653	0.7
239.12949	0.8
245.06653	2.0
247.08197	0.8
263.07681	2.5
265.08408	0.4
269.04483	1.3
279.06516	0.5
281.04480	1.2
281.08121	0.8
282.05286	1.6
282.08890	1.1
283.06149	1.7
293.04517	7.0
295.06015	0.9
297.11264	3.8
307.10501	0.8
311.05490	2.6
314.04391	0.5
315.12366	6.0
323.05612	1.4
323.09909	1.7
327.05222	0.4
335.05560	1.1
341.06650	3.6
353.09964	0.4
359.07681	0.7
371.20721	71.4
372.21075	3.7
383.07709	9.3
384.08145	0.7
401.08801	1.3
405.38702	0.4
443.09958	0.6
533.13513	13.2
533.26001	67.2
534.13641	0.8
534.26324	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	533.2604
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
54.84684	1.0
55.01878	6.9
57.03450	8.2
58.00581	3.0
59.01381	86.2
60.01712	0.8
61.98831	7.6
69.03452	1.3
71.01383	94.5
71.52338	1.2
71.52686	1.1
71.85439	1.0
72.01715	1.2
72.99306	5.7
73.02554	1.9
73.02946	29.5
75.00868	16.8
78.95867	1.3
83.01389	18.0
85.02952	42.3
87.00892	7.8
89.02445	55.7
95.01390	9.3
96.96018	9.3
96.96954	2.7
97.02940	3.1
99.00872	10.8
99.04474	1.3
101.02447	100.0
102.02766	1.2
105.83076	1.0
109.02953	1.6
112.98837	1.0
113.02454	46.3
119.03501	25.7
123.04507	1.0
125.02432	4.3
129.01892	1.3
131.03485	3.2
135.04451	1.3
137.09706	2.4
143.03508	9.9
145.02939	1.5
149.04523	2.5
159.02956	6.3
161.04549	42.3
169.49727	1.1
173.04503	3.1
179.05640	16.2
191.05594	2.6
205.03502	1.4
209.15479	9.2
210.12389	1.2
253.69324	1.0
285.03983	1.8
353.19376	1.5
369.13104	1.5
371.20728	99.7
372.21109	5.0
375.20468	1.4
401.21942	7.3
489.10364	1.4
490.22836	3.0
533.25922	83.6
534.26208	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	533.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30432	0.8
52.40643	1.0
53.71070	0.8
57.03437	1.4
59.01380	17.1
59.26421	1.0
61.98834	1.1
67.01876	1.2
68.99792	1.2
69.03457	1.2
69.53680	4.8
69.54082	1.8
71.01385	11.2
72.99311	5.4
73.02938	1.3
75.00873	8.5
77.81662	1.0
81.03479	1.3
83.01405	1.2
85.02953	16.3
87.00877	32.4
87.37083	0.9
89.02440	3.8
89.93427	0.9
93.03460	7.4
95.01389	3.7
99.00876	9.5
103.00362	1.3
109.02948	9.2
111.00877	2.5
111.04533	2.1
113.02456	11.2
115.00366	2.4
117.01938	1.6
119.05016	2.3
121.02948	6.0
121.06615	3.4
123.04528	3.6
125.02470	1.1
129.01967	1.8
134.03752	1.3
135.04524	16.5
136.05318	13.5
137.02454	2.5
147.04510	1.7
149.06073	12.0
151.03978	1.9
151.07661	2.2
159.04591	1.3
161.02347	1.3
161.06084	18.3
163.03928	1.0
171.03024	1.1
173.04567	16.0
174.04924	1.2
175.02544	2.0
175.03979	2.3
177.05559	1.3
179.03481	7.1
181.05060	2.2
187.03963	2.3
191.05611	34.8
195.06621	44.1
205.05060	8.9
207.06653	1.0
219.03006	2.0
221.04597	1.3
221.08116	5.4
239.09254	1.0
242.05745	1.6
249.06122	14.4
250.06743	1.5
253.08784	2.1
255.06519	3.1
255.08879	1.1
267.07236	6.0
271.09738	9.6
272.09979	1.0
283.08499	1.8
297.07468	1.8
315.08728	2.7
333.11905	1.0
341.06509	4.4
353.08774	5.0
357.11890	11.3
359.07675	8.6
359.11618	1.3
379.10370	2.1
390.31738	0.9
391.38800	1.0
401.99374	1.1
427.12531	1.0
445.13483	11.3
471.15372	2.0
515.13751	3.6
533.15021	100.0
534.15192	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	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33308	0.8
59.01386	1.3
67.01891	4.8
69.03451	1.3
69.62118	1.6
69.62525	2.8
71.01391	3.0
81.03463	1.1
84.54678	0.9
85.02953	3.7
87.00880	1.7
93.03462	24.8
94.03797	1.0
98.20660	1.3
107.05047	0.9
108.02172	5.9
109.02951	12.6
111.04525	4.3
115.00378	1.6
121.02957	2.0
122.03693	1.0
127.04021	1.4
133.02956	1.9
134.03737	2.2
135.04538	48.6
136.04865	1.3
137.02460	4.4
147.04515	1.2
148.05284	0.9
149.06093	11.3
155.03539	5.2
161.02425	2.0
161.06096	7.4
173.04553	100.0
174.04875	1.6
175.04005	0.8
179.03508	37.6
184.66270	1.0
191.05620	36.1
192.05844	1.2
241.05025	1.3
242.05872	13.2
243.06577	3.2
253.08624	1.1
255.06645	2.1
267.06448	1.0
269.08215	2.3
271.09753	25.0
271.12653	1.7
272.10004	1.3
291.78894	0.8
297.07355	1.2
315.08704	3.2
324.52051	0.8
353.08762	17.8
354.09399	1.0
359.07770	21.9
360.08344	1.2
489.13940	1.8
533.12799	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	533.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93451	0.7
59.01371	1.1
67.01871	1.2
67.82736	0.7
67.83081	0.7
69.78951	4.0
71.01379	1.2
80.96509	0.7
81.03473	0.8
81.59157	0.6
83.05005	1.0
85.02950	9.8
87.00876	1.7
93.03461	9.4
98.19943	0.7
99.04507	1.0
108.02172	1.9
109.02961	10.9
111.04505	3.8
116.27365	0.8
121.02937	2.2
122.03701	1.0
127.04009	2.6
133.02925	1.2
134.03728	2.8
135.04529	80.6
136.04851	1.8
137.02449	2.8
144.30946	0.7
148.05350	0.7
149.06087	25.7
155.03487	3.4
161.02371	1.0
161.06091	7.8
171.02962	0.8
173.04553	28.8
173.06062	1.5
179.03497	54.4
180.03798	1.8
186.40436	0.8
191.05611	100.0
192.05928	2.8
205.05057	1.5
225.05553	1.3
226.06262	1.0
242.05846	4.7
243.06601	11.4
255.06622	4.7
271.09756	11.5
315.08734	6.6
353.08746	10.1
359.07730	14.1
361.66382	0.7
489.13947	2.5
533.13000	17.9
534.13489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35826	1.0
67.01881	3.2
71.01379	6.7
71.06134	2.3
74.32906	0.9
81.03451	1.3
81.79243	0.8
85.02956	8.6
86.74355	1.1
87.00857	1.8
93.03453	18.4
108.02183	20.9
109.02957	48.1
110.03263	1.1
111.04556	4.7
115.00379	10.8
121.02956	4.0
122.03774	1.9
123.04508	4.3
123.22251	1.0
124.01637	1.2
127.04062	1.3
133.02943	2.6
134.03745	1.8
135.04526	20.5
137.02437	3.5
146.03717	1.2
147.04523	2.4
148.05298	3.2
149.06081	11.0
155.03488	4.4
161.06076	16.7
162.06828	3.5
163.03975	1.1
163.07607	3.5
173.04550	56.5
175.03981	2.0
177.05646	1.3
177.29172	1.0
179.03496	12.7
185.06044	1.3
187.07614	1.0
191.05611	64.4
192.05962	1.3
201.09224	1.3
213.05539	3.2
225.05347	1.1
241.05098	8.4
242.05847	62.4
243.06535	14.9
253.08626	1.5
269.08203	7.9
271.09747	100.0
272.10001	4.3
297.07645	3.8
315.08688	4.6
341.06750	1.9
353.08600	5.7
359.07706	94.2
360.08011	5.0
432.67654	1.2
489.14319	1.9
533.13171	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	533.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88966	1.0
59.01396	2.4
63.10017	1.0
63.96744	1.0
66.27580	1.2
67.01884	3.1
69.68615	3.9
69.69019	2.4
71.01396	7.0
85.02957	11.0
87.00871	3.9
93.03461	20.4
96.35699	1.1
108.02185	22.3
109.02957	51.4
110.03313	1.2
111.04520	3.4
115.00378	8.1
121.02951	3.4
122.03754	1.8
123.04513	5.0
124.01675	1.4
127.04066	2.5
133.02936	3.6
135.04517	10.4
137.02449	3.3
146.03757	1.3
147.04491	3.0
148.05295	4.5
149.06105	11.0
155.03525	3.9
161.06088	18.2
162.06868	4.0
163.07663	3.6
173.04556	35.6
175.03998	1.5
176.04784	2.0
177.05562	2.8
179.03387	1.6
185.06079	1.4
188.04869	1.4
191.05618	100.0
213.05498	4.3
225.05455	1.5
241.05095	9.5
242.05861	72.0
243.06558	18.8
247.61502	1.2
253.08733	1.7
269.08218	6.3
270.08188	1.3
271.09778	100.0
272.10056	5.1
297.07651	3.2
315.08719	3.6
359.07733	98.7
360.07892	5.7
490.99188	1.3
533.12848	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	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85844	1.4
59.01377	4.1
67.01873	2.6
70.99751	1.7
71.01379	6.4
81.03430	1.9
85.02957	9.8
87.00880	1.8
89.17796	1.6
93.03452	16.8
108.02190	18.0
109.02962	42.3
111.04545	2.7
115.00366	6.4
121.02957	3.9
122.03785	1.7
123.04527	4.1
125.84188	1.6
128.94122	1.5
133.02951	2.8
135.04527	12.2
137.02457	3.5
146.03691	1.8
147.04533	3.1
148.05278	7.1
148.82510	1.8
149.06070	13.6
155.03470	3.8
161.06122	18.8
162.06767	2.3
163.07600	2.7
173.03125	3.2
173.04546	44.7
173.58990	2.2
177.05544	2.6
179.03461	6.0
186.18956	2.0
191.05620	73.4
205.57324	1.9
213.05573	3.9
241.05092	7.2
242.05878	51.4
243.06401	12.0
269.08099	6.2
271.09766	90.4
272.10144	3.1
297.07520	3.3
315.08743	4.6
341.06656	2.1
353.08691	3.6
359.07736	100.0
360.08017	5.2
399.95724	1.8
472.53357	1.8
533.12756	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	533.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
59.01379	10.7
61.98814	1.3
67.01888	4.2
69.59447	4.8
71.01379	9.6
71.49694	0.7
72.26180	0.7
72.99304	1.3
73.02943	2.4
81.03481	0.9
83.01397	1.3
83.05025	1.3
85.02956	9.3
87.00884	1.3
89.02454	3.5
89.03996	0.9
93.03461	22.2
94.03775	1.0
95.01401	1.1
96.96015	0.8
98.19910	1.7
99.00910	0.9
99.04517	0.9
101.02428	5.9
107.04992	0.8
109.02954	2.9
111.00865	1.6
111.04498	3.6
112.98827	0.8
113.02455	3.4
117.03453	3.0
119.03510	2.3
125.02441	1.5
127.03992	1.4
130.53896	0.7
131.03471	1.1
133.02943	2.0
134.03780	4.3
135.04526	100.0
136.04832	2.5
137.02419	4.9
143.03490	0.9
149.06035	0.9
155.03529	4.2
159.04515	1.2
161.02415	5.2
161.04578	0.9
161.06030	1.1
163.06136	3.8
173.04543	75.1
174.04890	1.9
179.03497	77.0
180.03847	2.0
191.05605	41.0
192.05963	1.2
205.01387	5.2
205.07118	1.8
219.02940	1.0
225.05566	2.2
271.09604	1.6
314.11508	2.0
315.08752	7.2
315.12122	1.2
329.13995	6.6
335.07697	1.0
341.06616	5.0
353.08774	50.6
354.08994	2.5
359.07681	11.7
409.28677	0.9
514.05945	1.0
533.12885	12.3
533.22235	7.8
534.13123	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	533.0937
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
55.38844	0.7
59.01373	4.3
61.98818	3.4
63.02403	1.7
65.00344	1.0
69.50012	5.3
71.01373	3.4
73.02946	1.0
85.02959	2.0
89.02450	1.6
91.60956	0.8
93.03439	1.4
95.39985	0.7
98.20620	1.6
101.02432	2.0
107.01385	2.9
109.02938	1.2
113.02454	0.8
120.01295	0.9
120.75945	0.9
121.02940	1.2
127.90194	0.8
130.34496	0.8
133.02962	5.7
134.03758	1.2
135.04523	0.9
138.35161	0.7
145.02951	1.4
149.02420	2.4
151.00349	5.7
166.05095	0.9
166.13503	0.8
169.11684	0.7
173.04602	3.7
175.03940	2.7
183.04512	0.9
191.05606	1.1
191.88567	0.7
199.04018	1.3
200.04662	0.9
211.04012	1.1
212.04852	0.7
217.05045	1.3
227.03413	1.9
240.04260	1.1
255.02983	1.5
256.03757	5.1
283.02505	0.9
284.03262	67.1
285.04028	97.5
286.04480	4.9
297.03967	1.0
327.05145	2.0
444.16846	0.9
447.09314	1.3
464.59778	0.8
489.10373	100.0
490.10477	6.8
533.14764	1.0
533.30676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49419	1.5
59.01380	100.0
71.52071	2.9
72.50386	1.8
73.52517	1.6
92.75256	1.6
95.05042	2.1
96.96055	2.1
113.06068	4.1
132.64433	1.8
156.00778	1.8
160.09642	1.7
167.20200	1.7
200.92732	1.6
357.27835	2.4
381.11499	1.7
384.20389	1.7
453.33539	4.1
483.77374	1.9
514.00153	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	533.0938
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
Peak:m/z	Relative Intensity
57.03473	1.4
58.00606	1.1
59.01379	9.4
61.98838	1.2
67.97195	0.9
69.52478	7.1
71.01395	4.7
72.40334	0.9
73.02954	2.8
77.03970	1.5
79.00325	0.9
85.02959	2.0
87.00869	1.1
89.02465	2.4
93.03468	2.6
94.08603	1.0
97.02991	1.2
101.02460	4.0
109.02957	3.1
109.41393	0.8
113.02438	1.5
119.04957	1.1
125.02433	2.0
133.02954	13.7
135.04526	3.7
137.02408	1.5
138.18796	1.0
147.04442	1.5
149.02405	2.5
154.82109	0.9
161.02374	2.2
161.04605	1.1
162.24426	0.8
163.00356	1.4
163.03990	3.6
163.06093	0.9
165.01962	1.7
173.04558	3.3
175.03951	2.8
191.03821	1.5
191.05603	9.1
193.01488	1.4
201.01955	2.5
213.05618	1.5
227.06923	1.1
255.02933	1.4
284.03235	11.5
285.03967	4.8
297.04031	13.9
298.04742	6.2
299.02490	2.0
299.05591	18.2
309.04126	1.7
311.05649	2.7
327.05093	100.0
328.05386	8.1
339.04816	1.7
357.06143	19.6
358.06546	1.8
369.06076	2.5
387.20093	1.7
393.05923	2.0
429.08273	3.4
447.09305	1.3
489.10410	27.2
490.11169	2.3
533.23926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44801	0.5
56.14386	0.4
57.03426	0.4
59.01371	0.8
61.77352	0.4
67.01891	1.1
67.91356	0.4
69.51260	0.6
69.51656	2.6
71.01362	1.2
71.86208	0.4
75.00873	0.4
85.02966	1.0
89.02425	0.5
93.03468	4.4
98.19897	0.9
106.66776	0.4
108.02171	1.3
109.02951	49.0
110.03251	0.9
111.04548	1.0
113.02444	0.7
127.03934	0.5
131.05017	1.2
133.02939	1.6
135.04532	2.3
137.02463	0.8
145.02945	0.5
147.04544	1.1
155.03514	1.4
159.04517	13.7
160.04848	0.4
162.72157	0.5
173.04549	15.0
173.06036	0.8
175.44936	0.4
191.05553	2.1
198.06964	0.5
199.07547	0.7
223.07516	0.6
237.05583	1.1
251.07098	2.4
252.07950	1.0
253.05089	1.7
254.05817	9.8
267.06689	1.5
269.08179	100.0
270.08466	5.0
313.07150	1.2
339.04822	1.0
357.06125	29.9
357.09549	1.1
358.06589	2.2
476.74924	0.5
531.11389	2.9
532.11426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1149
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
55.34342	0.4
57.03424	0.7
59.01358	1.2
59.44331	0.5
69.03475	0.5
69.65539	0.5
71.01371	1.2
71.51328	0.6
85.02922	1.3
85.81140	0.5
89.02431	0.6
93.03458	1.8
101.02422	0.5
102.09197	0.6
107.15971	0.5
108.02132	0.7
109.02953	41.1
110.03294	0.6
111.04466	0.5
113.02426	0.9
113.07957	0.5
125.02465	0.7
129.01892	0.6
131.05009	1.1
133.02950	1.5
134.03717	1.0
135.04556	1.1
147.04532	1.2
151.34470	0.7
155.03485	1.1
159.04520	9.5
173.04535	5.3
179.03474	0.6
191.05562	2.8
193.05031	1.1
223.07704	0.6
229.01367	0.5
237.05554	1.1
237.15100	0.5
249.05792	0.6
251.07121	2.2
253.05016	1.6
254.05827	9.9
255.06250	0.6
267.06744	2.7
268.07230	0.9
269.08179	100.0
270.08478	6.5
313.07187	1.1
339.05136	1.7
357.01694	1.2
357.06131	21.2
358.06506	1.9
443.11969	0.7
531.11658	4.9
532.12280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03188	0.3
56.89687	0.3
59.01383	0.5
64.80604	0.4
68.77017	0.3
69.22933	1.4
69.23360	1.7
71.01408	0.3
78.78149	0.3
78.95908	16.3
114.59432	0.3
125.91839	0.4
131.88707	0.3
133.37285	0.3
152.99594	3.1
168.04292	2.9
178.44070	0.3
224.04851	0.7
224.06927	7.0
237.22334	0.4
242.07977	1.5
255.23291	100.0
256.23666	4.7
263.80176	0.4
314.50613	0.4
480.30945	61.0
481.31430	4.5
487.73825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06401	0.4
55.01854	0.4
59.01377	7.7
60.08281	0.4
60.41719	0.5
61.98571	0.5
61.98829	4.8
66.30077	0.4
67.69653	0.4
70.36938	1.5
71.01389	6.2
73.02949	1.1
79.29559	0.4
83.01389	0.7
85.02958	1.6
87.00892	1.3
89.02444	6.2
101.02440	6.7
101.45768	0.5
113.02445	3.0
113.09740	0.6
119.03497	1.7
125.02393	0.6
130.42612	0.5
143.03455	0.9
149.04561	0.5
161.04565	3.3
161.73557	0.5
179.05573	0.8
179.14471	0.6
195.13893	8.3
196.14432	0.7
197.11790	0.5
205.12361	0.8
223.13409	5.7
253.09274	30.1
254.09636	1.1
256.13205	1.1
275.20151	5.0
293.21219	100.0
294.21567	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	530.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69831	0.2
57.00855	0.2
58.84940	0.2
59.01363	0.5
61.59576	0.2
61.98828	100.0
71.52770	0.4
83.60040	0.3
86.50981	0.2
108.82600	0.3
119.35476	0.2
123.04548	0.4
133.02832	0.3
150.98253	0.3
153.85924	0.3
434.03784	0.3
436.01797	0.3
467.16824	1.3
499.02020	0.3
542.34967	0.3
543.19800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82392	0.6
55.79845	0.8
57.87513	0.7
59.01392	1.2
61.98832	100.0
78.95921	1.1
84.64965	0.8
96.96009	0.7
119.05043	1.0
122.98504	0.9
128.45752	0.8
129.85275	0.6
136.41252	0.7
168.95941	0.7
206.86270	0.7
209.11853	0.9
256.41348	0.8
305.21152	5.2
467.17853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
63.66615	0.6
64.24831	0.6
65.61604	0.5
65.65137	0.6
66.40855	0.6
67.01910	0.6
67.57098	0.5
71.01379	0.9
71.51871	0.7
72.00910	6.5
74.02474	11.3
85.02935	0.9
87.22364	0.7
93.03451	2.4
101.02457	0.6
109.02960	0.8
116.05070	36.3
117.05373	0.7
118.61127	0.5
119.05035	35.7
120.05380	0.9
121.02956	2.2
130.06604	1.0
131.67203	0.7
133.02943	1.2
134.03735	0.9
135.04535	3.6
142.06618	9.5
159.09293	7.1
161.04675	0.9
163.04013	42.5
164.04283	0.8
173.04553	5.7
175.02586	0.7
179.03543	1.4
181.04729	0.6
186.05626	1.4
191.05617	4.6
193.05022	2.7
203.08264	100.0
204.08559	3.5
253.03477	0.8
267.06635	1.2
311.05441	1.0
425.71472	0.7
479.77484	0.7
529.16388	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
61.98815	3.3
64.00050	0.7
65.72401	0.8
69.03474	1.0
69.19169	2.6
69.19586	6.6
69.95963	0.9
71.01383	8.8
73.02954	1.2
78.95903	2.6
85.02965	1.6
89.02450	8.2
95.01389	1.3
96.95985	1.4
98.20668	2.1
101.02438	7.3
101.61539	0.8
111.08123	1.0
113.02424	3.8
117.65182	0.8
119.03490	1.6
128.03511	1.0
144.15341	0.9
161.04547	3.4
179.14392	1.2
195.13896	9.4
197.11835	1.4
211.13300	1.7
223.13377	6.2
253.09282	32.4
254.09685	1.1
256.13074	1.3
275.20145	5.7
286.32227	0.9
291.19580	5.3
292.19922	4.0
293.21222	100.0
294.21646	5.5
306.07394	1.0
529.29700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28402	1.3
57.34137	1.3
58.02985	8.0
59.01378	2.1
66.03505	1.1
69.80777	6.5
74.02480	17.2
81.04588	2.5
82.02987	3.0
86.02497	7.0
87.05627	3.1
96.99892	6.0
97.04088	3.0
98.69156	1.2
99.05647	16.8
101.07198	3.6
102.05609	3.2
109.04079	3.1
109.07700	1.1
111.05645	1.9
112.04054	2.0
119.05038	2.2
125.03033	3.6
125.03738	1.3
126.03841	38.1
127.05168	2.7
128.03542	39.7
128.04462	2.5
129.03882	1.2
135.05669	5.9
137.07251	1.2
141.06657	2.4
143.04622	49.9
144.04942	1.7
145.06149	1.5
146.04587	4.1
149.07240	1.5
152.05429	1.2
153.06725	3.8
166.09859	3.8
167.04634	2.2
167.08269	2.7
168.08557	1.7
171.04047	1.4
173.04488	1.9
173.32953	1.2
179.04608	13.4
191.05623	3.1
192.07861	1.8
210.08820	10.4
212.07494	8.3
223.55547	1.2
252.77612	1.2
254.07825	16.2
256.06491	23.9
272.08917	16.0
356.12805	2.0
364.89651	1.2
400.11832	4.1
467.16153	1.5
485.16986	3.2
511.15085	15.2
529.16107	100.0
530.16534	7.5
538.59485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67823	0.8
51.89452	0.8
59.01371	1.4
69.52790	5.3
75.00907	0.8
76.11074	0.8
85.06588	14.8
93.03432	1.3
98.20651	1.0
113.06083	12.8
115.04013	34.2
129.05675	0.8
131.07141	2.6
135.04527	2.9
152.39258	0.8
157.05023	3.2
173.04576	5.8
175.06110	100.0
176.06473	2.6
179.03491	2.4
191.05579	2.2
297.47748	0.9
353.08768	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	529.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62845	1.6
58.02972	6.3
59.01399	8.5
71.01376	7.2
71.51530	2.7
71.51907	2.4
74.02481	17.9
75.00872	3.6
81.04557	1.9
85.02966	4.9
86.02486	9.4
87.05617	3.7
89.02454	2.3
92.89858	2.0
93.03458	4.3
95.41959	1.7
96.99930	6.4
97.04092	2.5
98.83454	1.6
99.05659	16.9
101.07170	4.5
109.02967	2.3
109.04073	2.0
112.04102	2.3
113.02482	9.4
115.00330	3.8
119.05062	2.0
123.05622	1.9
125.03000	4.3
126.03845	39.3
127.05160	2.4
128.03548	31.1
134.03722	7.2
135.05650	3.4
137.02448	2.9
137.07210	3.8
143.03574	3.0
143.04637	42.4
146.04597	4.0
149.07231	2.1
153.06683	2.4
162.51164	1.7
166.09921	3.5
167.04604	2.5
167.08305	2.1
168.08594	1.9
173.04579	11.5
179.04637	11.2
181.30663	1.7
185.67592	1.7
191.05644	4.2
193.05005	12.0
194.06432	2.3
210.08823	11.3
212.07497	10.2
226.25754	2.1
249.06155	4.9
254.07790	11.0
256.06534	22.9
267.07281	17.5
272.08966	12.2
311.05469	2.6
333.73105	1.9
335.09995	2.1
337.09280	1.9
356.12906	2.0
365.07254	6.8
383.08221	6.5
400.11838	3.7
409.28522	2.1
413.86707	2.4
447.24261	2.3
485.16974	4.5
511.15012	16.3
529.16089	100.0
530.16895	9.0
553.07916	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
55.40880	1.6
59.01381	15.9
67.01896	1.9
71.01382	14.7
71.50784	2.4
83.01401	3.9
85.02957	13.2
87.00880	37.5
87.01403	1.4
89.02428	3.1
93.03471	8.9
99.00893	2.5
109.02959	8.5
112.98801	2.6
113.02457	5.1
115.00375	40.5
115.91302	1.8
127.04002	3.7
135.04510	20.0
137.02519	2.1
139.04057	2.8
143.05002	4.7
149.02473	11.0
159.04538	6.0
161.06100	13.3
171.04529	8.8
173.02361	3.1
173.02997	2.1
173.04547	27.7
174.03267	3.8
175.02480	90.7
175.03871	3.3
177.01947	3.3
177.05504	3.5
179.03487	17.2
187.03978	13.1
188.04710	3.0
189.02007	2.4
189.05563	39.6
191.03624	7.2
191.05600	91.2
203.03517	5.6
215.03485	18.5
219.02905	2.5
233.04524	38.3
259.02560	10.4
267.07297	2.2
271.14850	1.8
319.04700	4.2
337.05637	100.0
338.05853	4.4
353.08673	18.9
354.09378	2.4
355.06418	1.9
529.10504	3.1
529.17517	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	529.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29930	1.5
56.60660	1.7
59.01377	17.5
59.66288	1.6
69.49374	11.6
70.20537	1.7
71.01385	20.9
72.99314	2.6
75.00898	2.3
82.57968	1.5
85.02946	15.8
87.00882	35.0
87.36596	1.8
89.02448	1.9
91.33314	1.4
93.03482	8.8
96.96030	4.6
96.96932	1.7
99.00893	2.1
101.02447	3.8
109.02991	4.2
112.98831	2.9
113.02451	4.3
115.00384	48.2
115.78045	1.5
124.70087	1.8
127.04028	2.7
127.04889	1.5
135.04544	20.9
137.02437	3.7
143.05028	3.9
147.04530	2.2
149.01004	2.4
149.02426	6.5
159.04581	2.0
161.02486	4.2
161.06079	7.0
171.04503	5.0
173.02330	3.1
173.04558	30.1
175.02493	100.0
175.03889	4.3
176.02870	2.0
177.01906	3.0
179.03481	17.7
187.03984	6.7
189.05591	26.3
190.02800	2.4
191.03746	3.6
191.05617	81.6
203.03471	2.6
215.03555	9.2
219.02982	2.4
233.04517	17.1
259.02408	6.3
267.07050	2.1
319.04480	3.2
337.05649	62.9
338.06030	4.4
353.08768	22.3
355.06784	2.0
500.63550	1.8
529.10114	3.8
529.18475	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	528.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.94057	0.7
61.98832	100.0
63.37677	0.5
64.48573	0.5
71.01402	0.9
72.98339	0.7
77.48138	0.5
89.02461	0.6
101.02479	0.9
109.84394	0.6
114.12212	0.6
203.61111	0.6
226.40495	0.6
313.92032	0.7
537.92694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
59.86805	0.3
61.98831	100.0
63.71245	0.3
69.23345	0.8
69.23763	1.9
71.01405	0.4
72.99303	0.4
89.02477	0.5
97.80642	0.3
98.19871	0.7
99.04518	0.4
101.02433	0.4
109.02961	0.6
113.02470	0.3
121.97670	0.3
125.02457	0.3
151.07524	0.3
153.22902	0.3
158.62006	0.3
161.02499	0.4
177.01930	0.6
189.01967	0.4
203.48296	0.3
217.16393	0.3
230.32730	0.3
269.04974	0.4
311.06213	0.3
341.06683	0.9
400.68741	0.3
465.11624	1.4
485.35086	0.8
500.89456	0.4
527.36292	2.9
528.36096	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54248	0.2
59.01386	1.1
61.98830	100.0
71.01392	0.4
71.10175	0.4
73.02931	0.2
78.94744	0.2
83.01389	0.3
89.02444	0.2
93.03477	0.3
96.96025	0.3
106.05210	0.2
108.02197	0.4
109.02950	0.7
123.04565	0.7
133.03015	0.3
135.04523	0.6
137.02412	0.3
147.04491	0.3
151.03989	0.5
161.02408	0.5
162.02826	0.2
171.93425	0.2
173.04555	0.2
177.01913	1.3
179.03542	0.3
180.03888	0.3
189.01901	2.0
190.02713	0.5
191.03522	0.3
216.00667	0.5
217.01447	1.6
219.03073	0.5
231.03023	0.6
259.07181	0.6
289.07245	0.3
328.22314	0.3
335.09238	0.3
341.06625	4.3
342.07120	0.5
355.08255	0.5
465.11914	5.6
466.12466	0.5
503.51392	0.2
511.69647	0.2
527.35803	1.0
528.36847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
61.98835	100.0
63.99273	0.3
69.70541	0.3
70.10902	0.2
71.01402	0.9
71.52438	0.4
73.02957	0.3
73.71778	0.3
78.91895	0.4
85.02995	0.6
89.02433	0.3
96.96035	0.8
99.00906	0.3
101.02477	0.5
108.02218	0.3
109.02975	0.8
113.02434	0.5
116.92873	0.4
123.04546	0.8
125.02480	0.9
130.08853	0.3
133.02928	0.3
135.04526	0.5
136.11258	0.3
137.02513	0.4
147.04694	0.3
149.02409	0.3
151.04016	0.4
161.02460	0.3
163.04041	0.4
173.04585	0.3
177.01932	1.5
189.01961	1.5
190.02621	0.4
191.03516	0.5
193.01523	0.3
203.03716	0.3
205.05043	0.4
217.01462	1.2
219.03076	0.3
233.56047	0.3
259.07233	0.3
284.02939	0.3
327.12982	0.2
341.06671	3.8
342.07214	0.3
355.08118	0.5
465.11938	4.0
466.12726	0.3
528.25543	0.6
534.37738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97874	1.5
57.03436	9.1
59.01370	4.1
61.98830	66.4
62.66272	1.3
65.00309	1.3
67.05766	1.6
69.19868	2.4
69.20272	12.9
83.01382	2.6
95.01385	5.6
101.02505	1.7
103.71003	1.7
109.02953	5.9
109.18021	1.5
111.00872	2.0
123.04550	3.5
124.01635	5.0
125.02449	81.4
126.02757	1.8
133.02953	17.2
139.00334	1.7
149.02460	7.3
150.03215	2.1
151.00356	6.9
151.03999	4.1
152.01129	11.2
152.28961	1.6
153.01965	3.3
167.03427	1.9
175.03993	3.9
176.01218	2.1
177.01959	13.2
178.99828	4.9
189.05652	3.3
193.01434	11.1
193.05003	2.4
217.05081	7.1
231.06602	1.6
241.04984	2.8
259.06168	7.3
262.39755	1.4
275.05801	8.6
285.04074	22.5
303.05066	19.9
437.10776	11.4
447.09201	6.3
465.10321	100.0
466.10791	8.4
529.19135	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	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74249	72.9
71.50729	100.0
101.03868	64.7
135.84517	73.0
176.56573	60.4
198.50237	65.3
495.66702	82.1
548.24579	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33639	46.3
71.43719	100.0
80.96545	59.0
100.34078	49.4
101.30511	50.7
102.80318	47.8
110.56181	52.6
148.81731	48.1
151.00012	45.9
158.71788	50.3
160.96826	43.0
181.49582	55.7
202.84483	52.5
231.13101	53.0
255.23203	89.8
277.75330	46.8
379.16083	56.1
527.29974	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	528.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58981	4.8
58.43967	5.1
60.21771	4.4
61.98830	19.5
69.72735	34.1
71.89262	4.6
81.03487	11.9
95.05058	9.0
98.19969	8.2
99.04512	7.5
109.02966	9.8
125.02435	33.9
133.02884	9.3
166.66125	5.8
167.03503	100.0
177.02116	6.2
194.72580	5.4
197.04489	15.7
235.02415	17.6
267.06924	11.2
287.07709	7.3
345.06216	67.2
375.07272	5.7
429.87430	5.5
465.10297	24.2
484.42041	5.4
546.98138	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44113	3.2
52.92134	2.5
58.30772	2.7
59.01389	16.5
69.03447	3.0
71.01367	16.6
72.13599	2.9
72.99313	5.7
75.00866	18.0
84.19709	2.5
85.02942	17.0
87.00914	5.8
89.02460	4.3
95.01406	4.8
99.00860	10.8
106.93680	2.5
113.02454	29.5
117.01938	4.0
152.93646	2.7
174.25963	3.6
249.06195	30.1
277.21698	84.1
509.27936	3.6
527.28577	100.0
528.29028	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38292	0.3
57.03437	1.4
59.01377	6.2
59.98680	0.3
61.98824	0.7
65.97087	0.3
71.00195	0.6
71.01381	3.5
73.02944	0.9
81.36340	0.3
83.01403	0.3
83.05006	0.7
85.02970	0.8
86.23708	0.3
89.02436	3.6
95.01352	0.4
95.05018	0.7
97.06563	0.4
101.02440	3.5
111.08157	8.9
113.02457	1.8
119.03485	0.8
125.09750	0.3
131.03540	0.4
135.11766	0.4
137.09737	0.5
139.86111	0.3
143.03458	0.3
161.04515	1.6
167.10759	1.7
177.12863	1.7
179.05536	0.4
179.10785	1.5
183.13776	0.3
183.19815	0.3
195.13895	5.9
197.11853	0.9
213.21867	0.3
247.20581	2.1
253.09267	16.0
254.09560	0.6
273.18661	1.4
291.19644	100.0
292.19949	5.3
495.25958	0.6
527.28540	2.6
537.35107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03450	3.1
59.01384	15.7
59.01685	0.9
61.98807	0.6
66.12971	0.7
67.01878	0.7
69.03458	0.9
70.59974	0.7
71.01382	21.1
71.51231	0.9
72.99306	6.6
73.02948	2.4
75.00871	21.4
75.49036	0.6
83.01366	1.8
85.02949	26.3
87.00884	8.3
89.02444	5.3
95.01385	6.2
99.00877	10.7
101.02454	1.5
103.00372	2.9
111.00838	0.8
112.01680	1.0
113.02448	33.5
115.00391	1.8
117.01923	2.7
129.01924	2.0
139.00385	0.9
154.68918	0.7
157.01407	1.5
175.02505	5.6
193.03505	1.4
205.07140	2.8
223.08263	1.1
231.05139	1.4
241.38536	0.7
249.06158	8.1
267.07202	9.0
277.21713	64.0
278.22098	2.9
467.26505	1.0
480.63101	0.7
509.27374	3.7
527.28619	100.0
528.28943	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	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04344	0.7
51.46683	0.8
54.36113	0.7
57.03466	0.7
59.01385	3.9
60.62548	0.8
61.98830	100.0
69.03461	0.9
69.77838	1.8
69.78249	2.7
71.01383	6.6
73.02940	1.5
78.18592	0.7
78.95876	0.9
78.98579	2.3
79.95737	4.5
80.96519	31.2
82.22394	0.8
85.02944	1.7
86.40739	0.7
87.00853	2.7
89.02445	1.4
94.98078	7.9
97.02944	1.0
101.02431	2.3
106.98190	0.8
113.02424	1.4
122.97558	3.1
123.04488	0.9
125.02418	2.7
133.03053	1.0
134.97585	2.4
135.04478	2.1
148.99120	3.5
152.98582	3.5
154.52950	0.8
161.02434	6.6
161.04529	0.9
162.16750	0.9
164.98633	6.1
179.03433	1.4
182.99634	1.2
183.13885	3.5
206.99635	1.3
225.00789	9.7
243.01617	1.0
275.69318	0.8
329.06796	0.9
341.06845	1.1
350.89676	1.0
362.29532	0.9
365.15982	2.1
483.18732	1.1
527.17993	60.6
528.18433	4.4
542.76306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1617
Annotation	17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)
Peak:m/z	Relative Intensity
55.01873	1.0
57.03449	1.8
59.01384	12.8
68.99825	1.4
69.03485	0.8
69.81095	3.6
71.01385	20.1
71.05038	1.7
72.99313	3.4
73.02961	3.2
75.00877	10.3
83.01414	2.1
83.62489	0.7
85.02953	15.9
87.00873	5.4
88.51237	0.7
89.02473	4.0
93.03490	1.3
95.01388	3.8
97.02975	3.2
97.20925	0.7
98.19912	0.8
99.00883	6.8
101.02435	5.0
103.00353	1.1
111.00952	0.8
111.04522	1.1
113.02457	19.0
115.00344	1.5
115.04013	14.0
117.01965	2.0
129.01978	1.6
135.91960	0.7
140.11533	0.7
155.03459	1.1
161.04538	1.3
167.30276	0.8
173.04564	1.6
191.05698	1.6
205.07162	1.3
231.05176	1.5
249.06151	12.7
259.08228	1.0
264.88785	0.7
265.84622	0.7
267.07205	13.0
270.32886	0.7
277.09341	1.3
330.77521	0.7
353.08658	1.0
365.09210	1.3
381.23105	0.8
509.14911	1.6
527.16327	100.0
528.16687	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	527.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
58.75357	0.5
59.01381	1.3
61.01021	2.6
61.98815	0.8
67.01880	0.9
69.03457	1.0
69.08163	0.6
71.01382	1.2
71.43124	1.1
73.02943	0.9
83.05033	0.8
85.01012	0.6
85.02949	3.6
85.70280	0.5
87.00886	1.7
89.02438	0.7
93.03461	12.4
99.00886	2.7
99.02590	3.1
99.04504	0.9
104.55871	0.5
105.01941	0.6
109.02945	2.1
111.00893	1.9
111.04537	6.3
113.00484	1.2
119.05134	0.6
125.02465	0.6
127.03980	1.1
129.03618	0.7
131.01559	0.6
133.02957	3.1
134.03717	2.0
135.04530	14.0
137.02451	9.5
143.01640	0.7
144.26476	0.5
155.03494	11.7
161.02443	7.2
161.04141	2.3
165.04045	2.0
167.03496	0.9
173.02632	3.2
173.04546	13.2
179.03542	4.9
191.03677	4.6
191.05615	4.5
194.86133	0.5
199.04190	18.0
205.03114	3.2
217.05257	13.2
233.04701	1.6
235.06168	0.6
269.04703	2.6
287.05774	1.8
333.08047	0.6
345.06281	0.6
347.07843	12.7
361.07376	3.2
364.09302	0.6
365.08926	26.3
366.09320	1.4
527.12152	100.0
528.12463	9.2
538.08112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
59.01387	0.6
61.01001	1.7
67.01891	0.9
69.03455	1.1
71.01371	1.1
71.51704	0.7
73.02953	1.0
81.03481	0.5
83.05023	1.1
85.02948	3.7
87.00869	1.1
93.03456	10.5
97.06590	0.5
99.00877	1.5
99.02589	2.3
109.02945	1.7
111.00870	1.8
111.04521	5.1
113.00502	1.4
117.01880	0.5
127.04022	0.8
129.01913	0.6
129.03648	1.7
131.01491	0.5
133.02953	2.4
134.03735	1.3
135.04529	11.1
137.02446	8.5
143.01556	0.9
143.03531	0.5
155.03517	11.1
159.06570	0.5
161.02440	6.5
161.04132	2.2
165.04012	1.2
173.02664	2.3
173.04539	10.5
174.04933	0.7
179.03516	5.4
181.03131	0.6
191.03706	4.4
191.05612	5.7
192.05992	0.4
198.25215	0.5
199.04184	13.7
205.03049	2.1
216.05467	0.5
217.05228	9.9
233.04811	2.0
235.06252	0.8
246.38232	0.4
269.04697	2.5
287.05768	1.7
299.05765	1.2
330.58063	0.4
347.07916	11.0
361.07278	2.8
365.08954	24.9
366.09384	1.5
527.12128	100.0
528.12366	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	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98830	100.0
65.03220	0.3
69.55941	0.7
69.56371	0.9
77.55063	0.2
80.96547	0.3
106.68167	0.2
133.03731	0.2
161.02422	0.2
170.82672	0.2
175.22353	0.2
205.13326	0.2
216.25632	0.2
226.74469	0.3
253.96330	0.3
448.04871	0.3
527.18317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
61.98830	100.0
68.42549	1.3
71.01382	4.1
72.99327	1.3
78.95879	1.3
85.02973	1.4
89.02466	1.8
90.45801	1.1
98.20686	2.5
99.04492	1.4
101.02437	4.6
102.21545	1.2
113.02483	2.1
115.22328	1.3
115.74671	1.2
126.77493	1.0
129.75438	1.1
129.81462	1.1
161.04654	1.3
165.12874	2.6
183.13905	35.5
226.51384	1.2
253.09285	2.4
463.21854	50.5
464.21860	3.0
466.18503	1.3
476.14481	1.4
508.17545	1.9
526.19287	1.6
526.28125	1.3
526.35742	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	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65262	0.8
54.52868	1.0
59.01394	2.2
61.98837	5.2
62.18332	0.9
63.02444	1.1
64.76749	0.9
65.00313	3.1
68.97463	1.0
70.80195	2.3
71.01384	1.3
72.80634	1.0
81.02224	1.1
81.03444	1.6
82.02984	1.3
83.01387	2.3
85.02947	1.2
89.02418	1.8
93.03459	3.1
95.01378	1.5
96.00907	2.8
97.02950	2.2
98.02471	2.3
107.01382	3.1
109.02942	3.1
110.74780	0.9
110.84625	1.1
111.00879	3.2
121.02966	4.8
123.00865	1.1
123.04508	1.1
124.05150	2.7
125.02435	8.0
125.03578	1.6
130.08736	18.6
133.02968	1.4
137.02457	8.0
138.09193	1.7
139.04013	1.8
140.07188	1.2
141.81683	0.9
142.06226	1.3
149.01288	1.8
149.02449	32.3
150.02800	1.3
151.00392	4.9
151.03993	3.5
155.03491	1.4
155.08304	1.7
156.50270	0.9
163.00395	5.1
165.01944	13.2
165.10324	1.4
166.08678	1.3
167.03439	3.9
168.08969	1.4
173.02377	1.1
173.04526	1.5
177.01926	5.2
179.03506	2.9
185.06801	1.1
187.03876	1.2
189.01863	1.8
190.99866	2.2
191.03473	4.6
191.05573	2.6
193.01428	14.4
195.02959	1.3
197.16405	1.5
199.18121	4.2
201.01921	0.9
205.01437	1.7
209.09343	7.5
215.03496	3.2
217.01370	1.7
223.02350	2.3
225.15939	1.6
235.02289	1.0
235.18196	1.3
243.17101	6.9
248.27841	0.8
253.05069	1.4
257.04541	2.8
259.02399	1.4
269.04535	1.2
269.14835	1.7
271.06232	1.1
275.05646	1.7
285.03949	1.1
299.05615	2.8
300.02798	1.9
301.03409	4.1
313.03635	5.0
314.04236	1.3
315.05054	3.1
323.16119	3.8
325.03275	1.1
340.18637	10.8
343.04572	100.0
344.04800	6.2
355.04407	2.1
373.05655	37.8
374.05844	2.7
383.19299	1.3
385.05420	3.9
409.05692	1.7
415.06439	1.3
445.07672	1.1
463.08817	65.3
464.09137	4.8
465.24576	7.8
466.23468	1.5
482.27240	9.2
483.26102	1.2
490.20126	1.8
508.25354	3.8
509.23721	2.4
525.17609	1.4
526.17584	10.9
526.26233	7.0
527.17108	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	526.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
61.98839	39.4
65.00312	1.9
69.22931	10.1
69.23363	6.6
71.01380	5.3
72.99310	30.4
73.02980	2.9
75.00886	4.9
89.02444	3.3
89.49247	1.7
95.01404	1.8
107.01384	4.6
113.02457	2.0
119.05004	2.0
121.03033	4.2
125.02552	1.7
151.00378	19.2
173.04590	2.5
178.99902	4.0
222.66153	1.9
223.04111	1.7
227.03557	1.8
243.02997	4.8
255.02974	11.3
271.02512	24.6
272.03024	2.0
287.10449	1.9
300.02777	63.0
301.03534	62.9
302.04025	2.8
343.04581	2.0
451.33017	3.2
463.08826	100.0
464.09164	9.2
465.23386	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	525.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.6
57.03430	3.1
59.01380	58.1
61.98824	5.8
69.03460	3.7
69.27548	7.1
69.27979	9.6
71.01379	41.2
72.99320	3.6
73.02947	19.2
83.01379	14.5
85.02951	19.7
87.00862	3.1
89.02460	6.4
95.99462	1.9
99.00871	5.4
101.02437	46.8
103.04053	2.8
113.02444	15.1
128.41719	2.1
133.03075	2.2
161.04509	10.7
163.06168	2.9
179.10710	1.9
189.11186	2.0
197.11786	5.6
199.13362	2.3
200.15511	2.1
201.05482	1.8
227.12796	3.9
229.06963	2.4
253.09384	2.3
258.95471	2.3
289.18100	15.5
290.53537	1.9
319.21252	82.7
320.21707	4.3
370.01950	1.9
465.27014	100.0
466.27505	7.2
498.40530	2.1
517.77826	2.1
525.26971	8.2
548.12030	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	525.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.0
58.00598	3.0
59.01382	92.4
61.98832	47.2
64.73842	1.9
69.39485	17.8
71.01389	64.4
71.51364	2.0
72.99300	3.3
73.02944	11.4
80.96494	3.2
83.01384	2.7
85.02965	13.3
87.00875	11.7
89.02448	100.0
98.19941	3.9
101.02449	45.8
113.02456	14.3
119.03490	6.0
125.02436	5.8
131.03513	47.4
143.03474	3.6
149.04564	94.3
161.04535	5.1
179.05573	3.1
191.05609	25.8
210.30412	2.1
242.52240	2.5
251.07631	2.9
281.41302	2.2
298.04752	6.6
299.05002	9.7
333.19083	3.4
342.06998	10.6
462.11258	12.3
465.23401	66.2
466.23746	6.8
525.16272	5.2
525.23169	3.4
525.30713	3.3
528.76801	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	525.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.6
59.01383	100.0
61.98831	39.0
66.46141	4.6
71.01385	71.3
71.52223	3.9
72.99300	12.3
73.02940	14.6
75.00891	6.1
83.01394	6.7
84.45756	4.0
85.02939	18.3
87.00879	10.5
88.98814	3.7
89.02453	92.3
95.01383	4.7
95.51426	4.0
99.00862	11.6
101.02432	59.1
103.97156	3.8
109.03038	4.8
110.05804	3.9
112.09310	4.3
113.02461	26.2
119.03494	11.5
125.02463	4.1
131.03510	35.7
143.03513	6.1
149.04553	82.2
168.68513	4.2
173.04604	9.1
187.26091	4.4
191.05550	17.8
227.12875	11.1
251.07646	5.3
301.03525	17.6
407.19302	20.2
463.08661	16.3
465.23242	65.3
466.23035	5.6
511.08429	4.3
525.21832	23.1
525.29919	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	525.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01378	4.9
60.99309	14.7
61.98831	5.3
71.01398	2.2
71.01714	0.4
71.07204	0.9
72.99341	0.3
73.02962	0.5
85.02942	0.7
86.95531	0.4
87.00893	0.6
88.98805	100.0
89.02411	0.7
89.99146	0.7
100.64416	0.3
101.02435	1.9
101.54585	0.3
103.04008	1.0
110.78397	0.4
111.04519	1.0
113.02451	1.0
123.04538	0.6
125.02447	0.9
131.51874	0.3
134.76448	0.4
135.04498	0.5
137.02408	0.6
149.02396	0.6
163.03984	0.5
167.03442	1.1
179.03517	0.6
195.06444	0.4
197.11813	1.1
273.07736	1.0
325.18765	0.4
362.29968	0.4
372.18326	0.4
465.17813	0.4
524.35236	1.6
525.17633	1.5
525.35254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.57783	6.1
74.88539	1.7
83.92036	1.7
167.21225	1.8
207.54428	1.7
249.79970	1.7
261.20911	1.8
396.12994	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	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13653	0.2
54.29276	0.2
59.01382	1.2
61.98829	100.0
64.34107	0.2
71.01380	1.3
73.02935	0.5
82.15485	0.2
83.01392	0.3
85.02970	0.7
87.00916	0.3
89.02464	0.5
94.51721	0.2
98.19913	0.4
99.00915	0.3
101.02483	1.0
113.02438	0.5
132.32295	0.2
161.04565	0.3
178.47713	0.2
198.95122	0.2
255.02939	3.5
256.03577	0.3
260.49454	0.3
283.02512	2.4
284.03308	0.6
296.53192	0.3
297.03970	0.3
298.04929	1.0
299.05695	0.5
351.05273	0.2
354.22607	0.3
361.29745	0.3
375.27542	1.2
376.27951	0.4
422.48965	0.3
446.08475	1.5
461.10901	6.6
462.11429	0.6
523.34912	2.4
524.35394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33837	0.4
59.01384	1.6
61.98833	100.0
71.01407	0.7
71.52263	0.5
102.58966	0.5
109.02951	0.6
113.11520	0.5
148.32179	0.6
197.12123	0.7
287.22375	1.5
288.22693	2.2
379.70190	0.5
524.27899	0.8
525.34460	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	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.3
57.03453	3.6
58.00598	0.8
59.01381	26.2
61.98832	10.0
69.03468	1.2
69.57279	3.4
71.01381	36.6
71.05001	1.1
72.99304	1.9
73.02950	12.5
75.00897	0.9
75.83673	0.6
83.01382	7.1
85.02954	17.5
87.00881	3.4
88.98819	0.9
89.02441	9.4
93.03434	1.6
95.01379	3.0
97.02959	1.0
98.19828	0.7
99.00884	4.7
101.02444	25.7
101.06073	0.8
109.02957	2.4
111.00883	2.4
113.01723	1.1
113.02455	14.9
119.03511	2.9
119.05001	0.7
121.02975	1.0
123.04554	1.4
125.02431	2.7
129.01947	1.2
131.03513	1.3
135.04546	1.3
137.02440	1.9
143.03526	1.6
147.04547	0.7
149.02455	0.9
149.04529	1.6
151.04057	1.2
159.02980	3.3
161.02498	0.8
161.04555	7.3
163.03992	1.0
167.03502	1.0
169.01331	0.7
173.04547	1.7
175.03918	0.7
177.01872	1.2
182.00500	0.7
191.05634	1.4
194.89853	0.7
196.03587	0.7
267.06873	0.7
267.23532	0.9
273.07605	1.5
315.25378	1.5
339.08771	0.8
361.29581	25.7
362.29825	1.3
371.11548	0.6
375.27457	5.0
407.07883	1.8
461.12256	0.8
463.21591	1.4
505.15350	2.7
523.21863	3.6
523.34918	100.0
524.35254	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	523.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
56.83233	0.4
57.03181	0.6
57.03445	3.6
58.00594	1.6
59.01383	26.2
61.98832	5.7
67.01906	0.7
68.99815	0.6
69.03449	0.8
71.01385	36.9
71.52745	0.5
72.99304	2.1
73.02556	0.8
73.02952	12.1
74.23560	0.4
75.00849	1.1
83.01392	6.1
85.02954	19.4
87.00866	3.3
87.04513	0.6
88.58440	0.4
89.02454	11.4
95.01405	3.5
97.02924	0.9
99.00890	4.2
101.02448	26.5
102.02820	0.6
109.02963	1.0
111.00883	1.9
113.02450	14.4
117.60574	0.5
119.03496	4.2
125.02444	0.7
129.01936	1.4
131.03510	0.8
135.04550	0.8
137.02420	0.6
143.03455	1.5
143.04486	0.6
147.17702	0.5
151.04002	0.7
152.96765	0.5
158.48788	0.5
159.03008	2.1
161.04556	8.7
164.97116	0.5
171.85750	0.6
173.04585	0.7
179.05585	1.5
183.13818	0.6
237.10966	0.5
273.20724	0.7
313.23892	0.7
315.25461	1.8
325.20227	0.6
343.28586	0.6
359.27820	0.6
361.29596	27.4
362.29819	1.3
523.34888	100.0
524.35321	10.3
525.68701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
57.03450	4.5
58.00581	0.7
59.01380	24.2
60.01704	0.5
60.99309	0.7
61.98828	5.4
66.18022	0.3
68.99805	0.4
69.03452	0.7
70.86420	1.0
71.01381	35.6
72.01713	0.3
72.99297	2.1
73.02946	11.4
75.00872	0.9
81.10163	0.3
83.01389	6.5
84.02156	0.3
85.02950	16.7
86.00094	0.5
87.00874	3.1
88.04037	1.2
88.98824	3.2
89.02445	16.3
90.02829	0.4
93.03424	0.3
95.01393	2.7
97.02950	0.9
97.06611	0.7
99.00877	3.9
101.02441	29.4
102.02805	0.5
106.67630	0.3
109.02982	0.7
111.00880	4.7
113.02451	11.3
119.03532	1.6
121.02941	0.7
123.04536	0.4
123.08150	0.4
125.02444	1.3
129.01955	1.3
131.03500	3.6
135.04468	0.5
141.01947	0.4
143.03514	1.4
143.10771	2.4
149.04547	10.9
151.11414	0.3
152.00253	1.1
153.12927	0.6
159.02980	2.7
161.04558	5.7
166.06396	2.3
173.04562	0.4
177.01968	0.4
179.05673	0.8
181.08698	1.7
182.40726	0.3
183.13728	0.4
187.33775	0.3
191.05539	2.1
199.13380	0.4
205.03558	0.3
228.90552	0.3
229.18059	0.4
243.11331	0.4
249.85936	0.4
252.22745	0.3
284.10080	0.5
285.10297	0.3
297.10968	0.4
311.09491	0.6
312.09735	0.6
313.09848	0.7
315.25342	2.3
326.11664	0.5
341.13977	0.6
342.14038	0.5
343.14594	1.7
347.21027	0.6
361.25089	0.6
361.29565	12.0
362.29889	1.0
375.27536	3.0
376.27585	0.5
463.21698	0.4
523.34930	100.0
524.27734	0.7
524.35236	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	523.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03440	1.9
59.01379	100.0
60.01727	0.7
61.98829	11.1
65.76316	0.5
67.01856	0.5
71.01382	13.9
72.99343	1.6
73.02950	5.1
73.94290	0.5
83.01385	4.6
85.02953	7.7
87.00881	1.6
87.23894	0.6
88.98800	0.8
89.02452	4.2
93.03473	1.3
93.58736	0.6
95.01367	1.2
99.00884	1.6
101.02452	11.9
107.05023	0.7
108.16879	0.5
109.02974	4.3
111.00853	1.1
113.02473	6.1
119.03533	0.6
119.05038	0.6
122.03757	0.6
123.04555	3.2
125.02450	5.7
129.02054	0.6
131.03531	0.6
133.03014	0.5
135.04520	1.3
137.02452	4.6
143.03526	0.7
145.02936	0.7
146.99965	0.6
149.02478	1.8
149.04594	1.5
151.04025	3.5
159.02989	1.6
161.02480	1.4
161.04597	3.0
161.05876	0.6
163.04016	1.5
165.02083	0.6
165.03961	0.5
167.03496	1.4
173.04584	1.7
175.02737	0.7
175.03970	2.7
177.01950	2.4
179.07169	1.2
185.06100	0.6
187.04037	2.1
189.01962	0.7
191.03517	0.7
191.05566	0.9
193.05087	0.6
203.03345	0.7
205.05110	1.1
205.08731	1.0
223.09808	0.8
227.12898	0.6
229.05106	1.7
229.08690	1.5
231.06671	0.9
255.03218	1.2
273.04172	0.7
273.07755	2.1
273.11288	0.9
281.04642	1.7
309.07816	0.6
312.06314	0.5
315.25507	1.2
339.08768	2.1
341.06848	1.0
361.29510	6.6
361.33255	0.6
371.11472	2.9
375.27557	2.0
381.09760	0.9
407.07773	6.9
414.47000	0.6
435.49896	0.5
461.11346	0.9
505.15027	8.5
505.21689	0.8
506.15701	1.4
523.16620	3.7
523.22809	1.3
523.35022	40.0
524.16022	0.6
524.35248	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	522.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64095	9.3
61.98830	100.0
69.40500	76.2
72.99696	11.2
84.67479	9.7
88.16152	10.5
96.96007	29.7
122.17830	9.7
134.92493	10.0
143.88579	10.2
198.55946	11.2
312.34445	10.5
399.55096	14.3
522.33301	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	522.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97276	5.9
53.46545	5.8
55.22668	5.6
55.37119	5.0
61.98835	100.0
69.79465	28.8
73.40440	5.8
84.51619	6.0
98.19973	10.1
111.93338	6.7
148.36650	6.9
149.87531	5.4
198.79533	6.0
217.06873	6.6
233.32370	6.0
393.66840	7.1
443.19379	6.4
508.44308	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	523.2187
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01885	2.2
57.03451	1.5
58.00614	1.0
59.01382	21.9
61.66481	0.5
61.98823	0.7
69.45941	2.7
69.46363	1.7
71.01385	17.2
72.99305	1.3
73.02958	3.6
73.08883	0.5
83.01387	3.9
85.02947	7.8
87.00897	1.2
89.02448	8.3
93.03470	1.4
95.01418	1.6
97.02914	0.8
99.00890	1.6
101.02441	12.1
109.02961	5.1
110.03339	0.6
111.00881	0.6
113.02466	5.5
119.03492	2.8
121.02963	11.0
121.03864	0.6
122.03742	12.8
123.04533	1.9
124.01683	0.9
129.03482	0.8
135.04541	2.1
136.05241	0.7
137.02455	1.5
143.05818	0.5
147.04527	6.4
149.06151	1.0
154.02747	1.4
159.03102	0.6
161.04666	0.8
161.06094	3.1
162.06793	1.1
165.05566	20.1
165.06895	1.1
166.05913	0.6
173.06180	0.7
179.05676	0.9
179.07137	6.6
191.07112	0.8
193.08759	0.7
205.08908	0.6
208.07512	0.6
223.09790	0.6
292.66354	0.6
298.12198	1.2
299.12820	0.9
313.14575	2.5
315.12427	1.7
328.13132	2.0
329.13681	0.9
343.15479	5.4
346.14151	8.3
347.14886	2.4
361.16562	92.1
362.16882	5.8
366.03659	0.6
463.22073	0.6
523.21844	100.0
524.22119	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30080	0.3
59.01376	0.9
61.98831	100.0
62.06034	0.3
69.30033	1.7
69.30444	0.7
71.01376	0.4
72.22483	0.3
76.09628	0.3
98.20611	0.4
101.02455	0.4
123.77191	0.3
168.81842	0.3
173.04697	0.3
187.16289	0.3
287.22345	0.6
401.48474	0.3
436.02399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05846	0.4
52.05759	0.5
59.01385	2.3
61.98830	100.0
71.01385	1.1
75.00848	0.6
85.02946	0.8
93.03444	0.5
98.20644	1.2
101.02438	0.5
111.37089	0.5
113.02455	0.7
181.57759	0.5
259.18253	0.6
273.20901	0.8
393.44949	0.6
433.79730	0.5
521.33472	1.4
522.34003	2.5
523.27472	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	522.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01382	4.1
59.91108	0.3
61.98835	100.0
69.77499	0.7
69.77904	1.5
71.01389	2.7
73.02942	0.8
80.96500	0.4
83.01385	0.4
85.02979	1.0
88.52309	0.4
89.02464	1.4
91.04675	0.3
92.28752	0.3
100.51399	0.4
101.02476	2.3
113.02480	1.1
143.03505	0.4
152.07225	1.4
163.34354	0.3
167.44197	0.4
180.61636	0.4
199.54683	0.4
223.13448	1.0
224.45633	0.4
359.28140	1.5
360.28476	1.1
431.26788	0.6
448.21210	0.7
462.31787	0.4
521.33392	3.0
522.23737	0.4
522.25128	0.5
522.33679	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	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.98831	100.0
69.34950	3.2
71.01375	0.8
89.02453	0.5
92.19257	0.4
94.28968	0.3
98.20752	0.4
131.76276	0.4
173.54979	0.4
431.26776	0.6
521.33051	0.8
522.33643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92088	0.2
54.28859	0.2
59.01382	2.4
61.98835	100.0
65.59745	0.3
70.13333	1.1
71.01395	1.2
74.60526	0.3
75.00866	0.3
76.15160	0.3
80.96529	0.8
85.02994	0.5
89.02455	0.5
101.02484	1.0
113.02469	0.5
118.60046	0.3
128.03497	0.4
142.02850	0.3
143.04631	0.6
306.07635	0.4
344.56076	0.3
360.28458	0.5
426.44449	0.3
441.94794	0.3
462.24753	0.4
521.33203	2.6
522.33813	3.1
523.19202	0.6
523.34387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40577	0.6
57.03449	1.1
59.01379	5.8
61.35771	0.6
61.98816	0.9
71.01385	5.3
71.08891	0.9
72.99297	0.7
73.02940	1.5
83.01396	0.9
85.02952	3.3
87.00867	0.9
89.02451	0.7
99.00920	0.5
101.02454	2.9
101.92719	0.5
113.02444	1.0
125.02485	0.6
163.74223	0.5
202.50592	0.5
313.23929	3.7
341.26883	2.0
343.52240	0.6
359.28015	26.7
360.28339	1.8
413.78381	0.5
503.31848	0.5
521.33282	100.0
522.33667	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	521.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
58.00606	3.4
59.01381	100.0
61.98833	41.8
71.01381	50.6
71.52499	2.3
71.55153	2.3
72.01694	2.7
72.99300	11.8
73.02950	24.9
80.07914	2.0
83.01376	6.2
85.02940	20.4
87.00876	6.0
88.98792	3.8
89.02441	34.3
97.02953	2.4
101.02442	57.2
103.04019	15.9
103.49210	2.2
103.70126	2.1
109.02946	4.1
113.02457	12.0
115.03961	3.1
119.03511	17.8
125.02444	3.7
131.03476	11.2
135.83319	2.3
143.03476	12.1
145.05086	5.9
151.03925	3.4
161.04518	3.6
163.06119	62.5
164.50175	2.2
179.05621	4.5
199.70752	2.3
205.05202	3.8
205.07149	25.4
265.09351	5.3
315.18011	7.4
315.77649	2.3
461.24011	23.2
461.30231	4.8
521.33563	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.9
57.03405	1.8
58.00574	0.6
59.01384	17.5
59.01651	1.0
60.99285	1.0
61.98821	0.9
65.85961	0.5
69.64850	2.6
69.65259	1.2
71.01386	22.4
72.99259	1.3
73.02948	7.0
75.00822	0.7
81.03445	0.8
83.01399	3.3
85.02959	8.9
87.00888	2.7
87.01303	0.6
88.98809	10.8
89.02448	11.5
93.03436	1.3
95.01362	1.6
95.01999	0.7
97.02905	1.5
99.00863	3.2
101.02447	14.3
109.02950	4.3
111.00845	1.7
112.98780	0.9
113.01749	0.6
113.02451	7.2
119.03435	1.8
121.02955	3.8
122.03758	1.3
123.04447	1.6
125.02404	2.4
131.03485	4.6
135.04485	1.2
136.05186	0.8
137.02420	1.8
139.03996	1.1
143.03418	1.6
147.04500	2.3
149.02431	2.1
149.04553	3.7
150.03241	4.5
151.03969	0.9
155.10736	1.1
157.07608	0.6
158.03679	2.3
159.03156	0.9
159.04509	7.7
160.05310	25.0
161.02420	1.1
161.04498	6.3
161.05984	6.8
163.04041	4.3
164.04781	4.8
173.04715	0.9
173.06026	3.6
174.06889	0.6
175.07645	23.5
176.04816	0.7
176.08026	0.9
177.01947	0.8
177.05560	6.1
178.06354	8.6
191.05614	1.2
191.07219	0.7
192.07941	1.7
193.08624	2.0
201.81392	0.6
215.07181	1.2
227.16452	1.7
232.74016	0.5
233.06613	1.3
269.08316	2.0
281.07990	1.5
283.06165	1.6
283.09607	1.0
289.07483	0.7
293.08868	1.6
299.09250	2.1
301.07214	3.8
311.05637	3.5
311.09232	2.2
314.11581	3.8
326.11612	1.0
329.13943	100.0
330.14218	7.3
341.06448	1.1
341.13947	4.1
359.15106	3.2
389.21674	8.0
389.25793	0.8
390.22641	0.7
391.11902	1.0
403.11420	0.7
431.09833	5.2
432.10043	0.8
433.12955	1.3
477.12079	1.6
521.10828	1.0
521.26215	30.1
522.26453	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.5
59.01383	100.0
61.98827	6.3
69.35464	15.6
69.35872	3.8
71.01385	68.5
72.99311	3.6
73.02936	3.5
82.96735	2.7
83.01407	2.4
85.02962	10.1
87.00883	7.6
88.04063	4.1
88.98798	16.0
89.02446	71.1
91.04823	2.2
95.01427	5.4
101.02449	32.4
103.07750	2.1
109.02934	6.5
113.02463	26.6
119.03508	30.8
125.02453	4.4
135.04489	3.3
140.88309	2.3
145.02942	4.3
148.14983	2.7
149.04478	4.1
161.04567	6.9
167.26122	2.4
177.02008	3.4
179.05606	11.1
195.02988	2.8
217.01527	2.8
224.04817	3.2
238.06374	4.5
251.07126	3.2
255.10184	5.8
266.05750	3.0
269.11856	3.5
270.12482	3.1
283.09702	30.4
295.09698	4.2
296.10559	3.4
311.09250	66.5
312.09491	3.1
325.10703	8.0
326.11566	37.4
327.11893	2.9
334.91412	2.7
341.07095	4.1
341.13943	76.0
342.14157	4.2
343.11819	2.8
367.08420	4.5
468.36099	2.7
486.09131	2.9
491.18976	3.7
503.19229	5.4
521.32910	8.3
532.74182	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	521.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.1
65.04034	2.4
67.86974	2.7
69.32104	20.7
69.32502	4.6
72.99303	13.3
87.00876	19.1
96.07971	2.9
98.19905	5.3
103.00377	3.3
126.28015	2.6
135.04530	8.9
149.00919	100.0
173.04565	22.3
203.27884	2.3
262.93094	3.5
276.22177	2.7
371.09918	9.9
377.74020	2.9
463.96857	2.8
468.91797	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	521.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01424	2.5
55.01864	2.8
59.01377	83.3
61.98828	7.5
69.03445	5.7
71.01382	82.9
71.41172	2.4
72.99303	6.1
73.02954	7.3
79.20809	2.3
83.01395	3.6
83.66203	2.6
85.02953	13.0
87.00884	14.2
87.01325	2.4
89.02444	100.0
93.03439	7.5
97.02946	6.7
101.02460	16.8
109.02940	8.1
111.00866	3.3
112.37022	3.1
113.02458	18.6
117.42860	3.1
119.03481	4.9
119.46101	2.4
121.02971	22.4
122.08882	2.6
125.02473	29.3
125.13545	2.9
131.03506	23.5
135.04489	12.2
137.02444	3.9
139.04010	3.4
149.04559	40.7
149.05949	4.6
152.04778	44.5
165.01936	26.0
165.03908	2.7
166.02263	8.9
167.02406	8.1
167.07135	27.1
173.04543	20.6
179.03534	7.8
191.05603	23.7
233.06570	5.2
242.05853	4.1
269.08420	3.0
271.09732	6.2
293.08768	64.9
294.09073	2.9
384.36612	3.5
521.22290	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	521.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.1
60.94899	1.6
67.01917	1.9
71.51104	2.2
72.99314	13.5
87.00883	25.2
93.03471	2.1
96.96015	2.9
97.94090	2.0
103.00376	7.6
111.00922	1.9
122.70007	1.9
135.04520	7.2
149.00920	100.0
173.04544	21.7
184.45038	2.0
197.04591	2.6
353.08594	2.3
371.09708	8.3
388.81781	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	520.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59797	11.2
55.01907	12.7
61.98828	69.6
69.31185	100.0
335.04373	12.3
483.91458	12.5
542.18469	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	521.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.1
60.99316	16.5
69.31531	12.4
71.01392	4.3
87.00865	2.1
88.98810	100.0
89.02454	3.3
101.02435	3.1
103.00373	1.8
112.98818	1.6
117.03502	2.3
117.57930	1.5
119.61855	1.5
175.69873	1.5
283.06070	20.1
284.06229	2.0
311.05643	37.3
341.06662	2.6
431.09766	49.1
432.10367	2.8
521.20154	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	520.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34149	14.5
61.98830	100.0
62.06414	13.4
69.41487	96.2
74.05782	12.9
96.96040	20.4
98.19938	28.6
105.01043	12.7
149.14697	14.5
168.77840	13.3
258.42520	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	520.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07976	2.9
60.93085	3.0
61.98828	100.0
68.79939	3.0
96.96032	3.7
145.56676	2.8
229.68073	3.5
283.14227	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32177	0.6
59.01373	2.6
61.98814	2.5
71.51115	0.8
77.97604	0.6
78.95904	47.6
79.95732	0.6
96.96968	5.6
110.10613	0.6
126.68462	0.7
150.98018	1.4
152.14168	0.6
152.99582	100.0
153.99960	0.9
171.00642	4.9
279.23196	0.8
433.23560	20.9
434.23776	1.6
520.26880	4.7
521.32928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90755	1.0
54.73943	1.3
57.03439	1.5
59.01078	1.8
59.01380	60.4
61.98831	100.0
64.03531	1.1
71.01380	8.7
73.02926	1.8
85.02945	4.9
89.02444	1.4
101.02428	5.2
109.02945	1.1
113.02419	3.7
116.19516	1.1
120.12845	1.1
120.20987	1.0
161.04518	2.6
179.03606	1.6
189.50154	1.0
225.50291	1.4
302.55151	1.0
327.05148	2.3
353.19583	3.8
361.82944	1.2
371.20789	8.7
413.21866	10.0
521.32587	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	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.91794	0.2
57.03449	0.5
59.01379	61.5
60.01713	0.5
61.98830	100.0
62.98511	0.3
69.34600	1.1
69.35034	1.1
71.01381	4.9
72.99303	0.5
73.02948	1.9
74.72205	0.3
83.01371	0.8
85.02951	3.0
87.00877	0.5
88.98799	0.6
89.02433	1.4
95.01372	0.6
98.20603	0.5
99.00846	0.7
101.02446	3.7
109.02913	0.5
113.02443	2.1
114.02710	0.4
119.03460	0.4
123.04484	0.5
125.02422	0.7
151.03941	0.3
161.04475	0.7
209.15311	0.9
277.10965	0.3
289.07144	0.3
344.01791	0.3
353.19727	2.5
371.20758	4.3
413.21823	4.9
414.21860	0.6
431.09531	0.5
505.17471	0.3
520.20752	2.4
520.31714	0.4
521.33643	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	520.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03963	0.4
55.01883	0.4
56.62954	0.5
59.01381	4.1
60.01712	0.4
61.98830	100.0
66.71165	0.4
69.38995	1.6
69.39411	1.5
71.01382	2.8
73.02935	0.5
74.02473	0.9
83.01344	0.4
85.02955	1.2
86.02516	0.5
87.00862	0.6
88.98837	0.6
89.02449	1.2
90.79947	0.4
99.00894	0.4
101.02451	1.4
109.02956	0.4
113.02453	1.0
128.03523	2.6
143.04601	3.1
147.37350	0.4
149.04538	0.5
161.04591	0.6
179.04683	1.2
210.08801	0.6
232.68155	0.5
254.07791	2.0
272.08917	2.4
502.21072	0.9
520.22021	4.6
521.33099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98823	2.2
65.23885	0.9
74.58240	0.8
80.95204	0.8
81.36837	0.8
90.54469	0.8
93.69066	0.7
161.43835	0.9
171.53456	0.8
359.36746	1.0
507.98413	1.0
519.32251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03963	0.4
55.01883	0.4
56.62954	0.5
59.01381	4.1
60.01712	0.4
61.98830	100.0
66.71165	0.4
69.38995	1.6
69.39411	1.5
71.01382	2.8
73.02935	0.5
74.02473	0.9
83.01344	0.4
85.02955	1.2
86.02516	0.5
87.00862	0.6
88.98837	0.6
89.02449	1.2
90.79947	0.4
99.00894	0.4
101.02451	1.4
109.02956	0.4
113.02453	1.0
128.03523	2.6
143.04601	3.1
147.37350	0.4
149.04538	0.5
161.04591	0.6
179.04683	1.2
210.08801	0.6
232.68155	0.5
254.07791	2.0
272.08917	2.4
502.21072	0.9
520.22021	4.6
521.33099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.50364	2.6
79.85102	1.7
91.82296	1.5
169.46860	1.7
172.46947	1.7
223.34286	1.6
364.20901	1.7
450.56314	1.7
498.41620	2.0
500.30908	1.9
502.34219	2.1
539.81873	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	519.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01696	1.2
61.98827	2.5
70.06280	3.0
70.30480	1.0
74.52622	1.2
86.18700	1.0
96.96004	1.3
110.91362	1.2
116.92906	1.3
131.30745	1.0
167.51137	1.0
519.27075	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	519.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87949	1.2
59.01381	100.0
61.98815	1.5
70.01067	6.4
73.99240	1.3
96.96011	1.9
113.95164	1.8
130.18059	1.5
146.75137	1.2
219.26717	1.3
264.71063	1.4
272.03690	1.6
519.31665	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	519.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01702	1.1
62.14334	0.9
96.96012	5.0
98.87845	1.0
114.23090	1.0
155.28775	1.0
301.87332	1.1
456.31836	1.4
519.32257	4.4
534.26776	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	519.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59900	1.4
59.01380	100.0
69.20280	13.0
87.23077	1.4
98.20596	3.1
100.34858	1.5
184.04872	1.4
203.97861	1.5
258.97333	1.4
305.43793	1.9
402.71649	1.5
478.72766	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	519.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03448	0.8
58.00586	0.4
59.01379	6.4
60.35393	0.3
61.98824	0.7
70.37870	0.3
70.38194	0.6
71.01012	0.4
71.01384	5.9
72.99298	0.8
73.02950	2.0
83.01392	1.8
85.02959	2.8
86.00076	0.2
87.00870	0.8
89.02456	0.8
95.01405	0.5
97.02915	0.3
99.00877	0.8
101.02428	2.7
103.05642	0.3
107.34056	0.2
111.00906	0.6
113.02447	1.1
115.03952	0.3
118.17414	0.3
125.02458	0.7
279.23315	0.7
291.23294	1.1
297.24292	1.1
309.24197	1.2
327.25369	9.4
328.25711	0.7
339.25330	2.8
357.26437	20.0
358.26788	1.7
471.29517	0.4
477.30267	0.3
489.30872	2.7
501.30740	1.1
515.04333	0.3
519.31726	100.0
520.32025	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	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82605	1.3
59.01381	100.0
69.25842	2.6
69.26169	11.5
77.62187	1.4
78.95926	2.1
92.89074	1.1
124.18001	1.2
138.17026	1.5
152.99551	2.3
174.79575	1.4
175.06009	1.2
177.60271	1.1
253.53668	1.5
277.81555	1.2
391.26544	1.3
454.16556	1.5
519.32947	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	519.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
59.01382	12.2
61.98835	4.1
63.22292	0.6
69.74628	3.0
71.01389	8.2
72.99308	0.9
73.02946	2.3
75.03526	0.7
83.01390	1.9
83.05048	0.8
85.02947	3.3
87.00882	1.0
89.02451	3.4
89.56837	0.8
93.03419	0.8
95.01376	1.6
98.19856	0.6
100.28516	0.6
101.02454	6.5
101.28861	0.7
105.41679	0.7
107.75407	0.7
113.02431	2.3
119.03495	1.3
119.05058	0.7
173.04546	0.8
297.24286	0.8
309.24316	0.7
327.25424	6.3
339.25357	7.3
357.26395	19.2
358.26895	1.3
470.45444	0.7
501.30832	1.0
519.31732	100.0
520.31952	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	519.3174
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01865	0.9
57.03434	0.8
58.00595	0.6
59.01078	0.3
59.01382	6.3
71.01383	5.9
72.99314	0.6
73.02951	1.9
74.53363	0.3
83.01394	1.3
85.02976	2.9
87.00880	0.8
87.04550	0.3
89.02463	0.7
95.01394	0.7
97.02959	0.4
98.20637	1.3
99.00916	0.7
101.02444	3.2
111.00870	0.5
113.02431	1.7
119.03519	0.3
125.02402	0.5
154.23444	0.3
171.38617	0.3
177.46100	0.3
180.11087	0.3
188.25740	0.4
229.56154	0.4
279.23224	0.8
291.23325	1.1
297.24347	1.2
309.24323	1.2
325.23920	0.4
327.25375	10.1
328.25912	0.7
339.25476	2.9
348.21390	0.3
348.39429	0.4
355.25085	0.4
357.26437	22.4
358.26749	1.6
436.34399	0.3
481.80466	0.4
489.30728	3.2
501.30545	1.5
519.31738	100.0
520.32104	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	519.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79771	2.5
59.01380	100.0
67.52827	2.4
70.98607	4.4
75.94227	2.4
85.27800	2.6
217.00290	2.4
297.44644	2.6
298.71365	2.8
311.03528	2.5
341.70758	2.9
511.79593	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03440	1.1
58.00584	3.2
59.01382	100.0
61.28200	1.1
61.98834	4.7
69.03468	1.5
69.30018	8.9
71.01009	2.1
71.01386	34.7
72.99309	5.6
73.02950	32.5
83.01388	3.9
85.02953	15.9
87.00872	9.2
87.04500	3.2
88.61191	1.0
89.02448	25.1
92.41373	1.0
94.58164	1.0
95.01388	1.1
98.20626	1.5
99.00884	1.4
99.04520	1.2
101.02448	52.0
103.04012	25.9
109.18739	1.0
113.02432	4.2
115.04029	4.8
119.03506	12.7
125.02468	5.1
127.03999	2.9
129.51839	1.1
130.10423	0.9
131.03497	9.1
133.42426	1.0
143.03520	9.9
145.05069	7.5
161.04446	1.5
163.06133	63.8
177.76625	1.0
184.31876	0.9
205.07187	22.9
261.71967	1.1
265.09225	2.8
299.81845	1.1
327.25327	5.2
339.25528	1.6
357.26352	12.6
489.30716	2.8
519.31805	71.2
520.32397	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03449	1.4
58.00587	2.3
59.01382	100.0
61.98837	13.0
71.01385	40.2
71.53113	2.0
72.99315	5.1
73.02950	36.4
83.01396	4.1
85.02954	19.6
87.00880	10.3
87.04516	3.0
89.02454	28.2
97.02948	1.5
99.00873	3.5
99.04498	2.0
101.02446	62.7
103.04023	23.0
113.02446	8.4
115.04015	5.6
119.03505	15.4
122.83310	1.1
124.07688	3.6
125.02450	4.4
127.04054	2.2
131.03497	8.4
137.04793	2.1
143.03516	9.1
145.05080	8.1
152.07169	41.6
161.04547	1.6
163.06131	69.2
190.02724	5.3
205.05084	5.4
205.07196	22.7
223.06250	1.4
265.09372	2.0
299.02127	2.2
314.04434	2.3
357.26395	1.4
367.10339	5.7
375.27533	2.2
519.31866	44.7
520.31940	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	519.2446
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01895	2.4
56.60758	1.1
57.03453	2.6
58.00590	3.7
59.01383	100.0
61.98829	3.6
64.50530	0.9
69.03451	1.7
69.44666	6.6
69.45062	1.9
71.01387	71.4
72.99312	6.4
73.02953	18.0
75.00882	1.7
78.95918	1.3
81.03448	1.2
83.01415	4.6
85.02956	15.9
86.00076	1.0
86.68668	1.0
87.00881	11.0
89.02451	88.1
93.03464	1.8
95.01402	2.9
97.02971	4.4
99.00882	16.6
101.02449	50.8
103.00385	8.0
109.02975	1.3
111.00887	3.2
111.04528	1.3
112.98814	17.6
113.02458	21.6
113.03246	1.1
115.04027	2.6
116.92802	1.4
119.03510	11.3
119.05013	2.9
123.03210	1.2
125.02471	6.8
128.03548	1.2
130.99870	3.2
131.03517	21.7
134.03674	2.0
143.03525	4.4
149.04568	50.5
159.02940	1.2
161.04568	9.8
163.03981	2.1
173.04533	3.2
179.05627	6.4
191.05640	14.7
193.05040	1.5
195.06651	1.9
215.05560	1.0
225.14970	2.2
226.06392	2.5
233.06674	5.0
241.08572	1.6
251.07816	2.7
291.08954	0.9
293.08801	4.2
352.80054	1.1
357.09879	0.9
387.15851	1.7
387.20316	20.5
388.20828	1.1
459.22882	1.0
472.86166	1.0
501.23376	2.1
517.89886	1.1
519.25085	47.6
520.24768	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	519.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90385	2.0
55.01874	3.2
57.03444	6.6
59.01380	67.8
61.98830	27.8
69.41039	1.8
69.41358	15.5
71.01385	33.2
72.99311	6.2
73.02960	9.3
74.02475	2.8
75.00880	10.0
82.95428	17.7
83.01373	10.7
85.02954	25.5
87.00857	9.5
89.02442	11.7
93.03400	2.5
95.01408	5.2
97.02928	2.9
99.00907	9.8
99.04531	3.6
99.92618	2.6
101.02436	13.7
103.00401	4.3
109.02948	4.9
113.02454	26.7
115.00378	3.0
116.92883	6.3
119.03487	2.6
121.02967	2.4
122.03761	2.5
123.04570	2.9
125.02447	4.5
128.03543	6.1
129.84264	2.0
143.04626	6.2
145.02966	3.0
145.06219	2.2
151.03976	2.7
161.04555	3.0
165.12810	2.6
172.90916	2.2
175.02463	4.1
189.04184	2.2
189.12842	4.0
191.05650	2.0
207.13908	6.8
209.11826	5.5
222.21207	1.8
249.06125	13.5
251.12805	2.5
267.07236	35.7
269.13904	2.4
306.07727	4.1
307.08011	3.6
343.17841	2.1
357.13406	18.8
459.18616	5.2
501.19769	4.8
519.20856	100.0
519.32739	18.9
520.21240	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	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10700	1.1
57.97053	1.1
59.01368	1.9
61.98829	1.4
65.56898	1.2
67.20119	1.2
67.53212	1.0
68.02144	1.2
68.18993	1.1
69.72374	4.4
69.72797	2.5
71.33401	1.0
73.02598	1.0
93.03485	2.2
98.19931	1.6
121.02955	84.1
122.03312	2.2
135.04480	5.1
165.01926	100.0
165.54974	1.3
166.02264	1.8
173.04552	9.4
179.03467	5.0
191.05615	5.7
198.23183	1.1
353.08914	6.6
368.91360	1.2
519.15234	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	519.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23772	0.9
57.03426	2.2
59.01379	33.6
60.39812	0.9
61.98836	7.3
67.01883	2.9
69.03451	1.2
69.20270	8.5
71.01381	9.7
73.02939	2.8
80.20710	1.1
80.55552	1.0
83.01372	2.1
83.05035	1.9
85.02947	12.2
86.03250	1.0
87.00868	3.6
89.02441	4.4
93.03455	18.3
95.01389	1.9
99.04552	1.1
101.02442	3.3
108.02163	1.3
109.02952	3.7
111.04518	3.6
112.98811	1.3
113.02445	4.3
115.00385	1.1
119.03471	1.0
119.05029	2.2
121.02943	1.9
123.04522	2.1
125.02493	1.8
127.03980	2.4
132.03012	3.4
135.04485	1.1
136.01654	23.7
137.02414	4.3
149.04520	1.2
149.06110	2.0
151.04007	32.0
152.05873	1.0
155.03490	4.0
157.77638	1.0
161.04556	2.2
163.03923	1.1
165.96156	1.2
166.05049	1.9
173.04543	52.2
174.04903	1.5
182.07324	2.6
182.66539	1.2
183.08087	1.4
191.05608	100.0
192.06003	2.0
195.08191	1.0
197.09708	24.8
211.11342	2.4
213.12836	4.2
225.05487	1.7
245.11971	1.3
257.11847	3.9
275.68008	1.0
289.07141	1.6
301.10800	43.1
302.11014	2.5
342.11011	2.0
344.09003	1.0
345.09717	3.4
357.13452	33.6
358.13660	1.5
371.12259	1.1
437.57422	1.2
466.64554	1.0
475.16461	1.2
519.20862	2.8
519.31116	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50367	0.3
57.89647	0.3
59.01381	0.5
66.58608	0.3
68.47487	0.3
77.07425	0.3
78.95904	43.2
85.93539	0.3
90.56165	0.3
91.91637	0.3
96.96961	5.6
150.98036	1.4
152.99586	100.0
153.99933	1.0
171.00645	4.0
256.57889	0.3
277.21799	0.9
431.22025	21.2
432.22299	1.4
505.47696	0.3
518.25250	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33873	0.7
59.01379	40.1
60.73609	0.8
61.98830	100.0
62.65987	0.6
69.29558	5.1
69.29961	1.0
70.27957	0.7
71.01378	10.7
73.02949	12.2
78.52016	0.6
78.54197	0.7
82.65179	0.7
83.01379	4.1
85.02972	2.5
89.02448	5.0
91.89472	0.7
101.02448	15.0
113.02448	5.9
119.03525	2.3
124.17970	0.9
125.02451	1.0
131.03563	1.1
137.09766	2.5
143.03532	1.0
146.04617	1.0
149.04518	3.4
152.41423	0.8
161.04546	6.7
203.05685	0.9
207.63666	0.9
221.06671	2.0
330.22083	0.8
389.79184	0.9
402.32419	0.7
465.62503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01382	46.5
61.98834	100.0
70.33319	3.7
70.33733	2.2
71.01388	9.3
73.02959	11.6
74.02475	2.1
75.44573	1.3
83.01383	4.1
85.02954	4.1
89.02459	3.8
95.01416	1.8
98.19997	2.1
99.05611	2.5
101.02444	15.0
106.19777	1.3
113.02477	6.7
119.03551	2.0
128.03519	6.0
131.03435	1.5
137.09760	2.3
143.03632	1.9
143.04623	8.3
149.04558	3.9
157.71017	1.3
160.00725	2.5
161.04549	4.6
174.44443	1.3
210.08810	1.3
221.06532	2.0
233.74706	1.3
244.58485	1.3
267.07108	2.4
272.08737	3.1
306.07739	13.0
382.91003	1.4
437.07751	1.5
518.19556	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	517.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04034	1.2
59.01381	100.0
61.98841	3.3
68.21667	1.5
71.94223	1.2
89.29295	1.3
96.95987	1.6
102.05377	1.4
117.52145	1.5
117.85184	1.2
220.75168	1.4
229.37825	1.5
383.35556	2.9
530.69385	1.7
541.17725	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	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01380	14.4
61.98830	100.0
62.82978	0.7
65.17580	0.7
65.81475	0.7
70.81410	1.5
70.81748	0.8
71.01385	10.9
73.02947	17.5
75.27798	0.7
83.01387	6.4
85.02967	1.3
86.01379	0.7
89.02453	1.9
101.02447	10.8
113.02491	1.5
143.03546	0.7
149.61737	0.8
161.04594	1.7
165.12895	1.9
207.13844	5.7
215.56949	0.8
219.13925	1.2
221.15535	1.4
231.13991	1.1
249.14938	2.5
260.06433	0.7
357.26770	1.2
518.30707	2.6
519.31738	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	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55156	1.4
59.01382	100.0
70.96284	1.8
70.96635	2.5
74.23558	1.2
79.67973	1.2
443.61243	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	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75171	1.2
59.01381	100.0
59.38066	1.1
71.50991	1.9
119.44485	1.0
149.09697	1.9
341.12582	1.1
352.34717	1.1
444.61768	1.2
517.32806	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	517.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.69222	4.6
80.25191	0.8
91.20995	0.7
105.73328	0.9
251.73351	0.9
264.80441	0.8
273.95880	0.9
290.48300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2421
Annotation	Chlorodesmin
Peak:m/z	Relative Intensity
50.26870	27.1
58.93552	26.8
59.01375	71.9
61.98829	74.2
121.48456	26.8
187.09720	26.3
257.13379	28.3
517.24341	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	517.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03809	1.3
56.49014	1.2
57.29084	1.2
59.01381	57.7
70.73022	2.0
70.73349	2.0
71.01377	6.6
72.99307	1.8
76.24437	1.4
88.82692	1.7
89.02439	20.5
91.04011	73.2
93.72574	1.2
147.83643	1.2
193.80893	1.4
197.88878	1.2
264.92261	1.4
279.27161	1.7
307.30054	100.0
308.30411	4.2
315.31631	1.4
320.78970	1.3
351.29047	57.8
352.29266	4.7
369.30072	58.1
370.30310	3.5
393.81662	1.5
425.32764	31.7
425.38443	1.6
426.33029	2.8
443.33755	50.7
444.33994	5.7
517.35822	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	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03439	4.0
57.44836	0.5
58.00600	2.0
59.01381	100.0
60.01704	0.9
61.98836	3.1
65.03923	0.5
69.03455	4.5
71.01382	58.5
71.52649	0.7
72.01718	0.8
72.99316	5.3
73.02943	9.6
73.17305	0.5
75.00871	1.6
80.08020	0.5
81.03481	2.0
83.01392	4.9
83.04984	0.7
85.02955	14.8
86.00107	1.6
87.00884	11.5
89.02446	60.3
90.02802	0.8
90.08690	0.6
93.03455	1.7
95.01427	1.8
97.02946	6.0
99.00880	4.2
101.02443	22.9
101.03107	1.1
109.02972	2.0
111.00887	4.9
111.04549	0.9
111.08218	0.7
112.98840	0.9
113.02454	14.0
115.00351	0.5
115.03983	1.1
116.92860	0.7
119.03501	3.1
125.02449	9.8
127.04073	0.8
128.03589	0.9
129.02043	0.6
131.03505	24.9
132.03833	0.8
134.03842	0.7
135.04559	2.2
137.02446	0.6
141.01935	1.0
141.09163	0.6
143.03516	2.4
145.05141	0.8
149.04567	20.1
149.05853	1.0
149.09886	0.6
155.03493	0.8
161.02477	0.6
161.04601	1.6
161.09819	0.7
163.11278	7.6
165.09213	3.1
167.03604	1.0
171.08183	1.1
173.04521	2.9
179.03494	0.8
179.10771	0.9
181.12346	14.7
187.11288	10.3
189.12906	1.6
190.10088	1.4
190.13235	0.8
191.05612	12.7
192.05878	0.8
200.26472	0.6
205.07239	0.8
205.12352	9.9
223.13457	2.0
233.06628	2.7
239.60182	0.6
241.14470	0.7
247.13457	1.0
249.06192	0.8
255.03255	0.7
259.13544	0.6
267.07217	4.9
283.05911	0.8
293.08865	3.0
293.27951	0.6
311.05679	1.6
367.17700	1.2
385.18607	1.1
499.21945	2.1
517.19873	3.3
517.23041	3.8
518.21655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03439	3.6
59.01382	40.2
61.98836	7.3
68.99805	1.2
69.03468	1.8
71.01381	29.3
72.99315	5.3
73.02952	4.2
75.00469	1.1
75.00877	14.5
83.01371	1.8
83.05037	1.6
85.02953	27.7
87.00872	12.3
89.02442	13.0
91.03974	1.2
93.03461	1.4
95.01388	6.2
98.39281	1.0
99.00890	10.4
101.02445	7.9
103.00375	2.5
103.04048	0.8
109.02933	1.6
111.00867	1.0
113.02451	37.0
113.42374	1.0
115.00367	3.0
117.01962	2.7
120.05765	1.3
125.02451	1.2
129.01932	1.4
131.03458	2.9
135.04491	1.5
143.03555	1.4
149.04544	4.3
157.01300	0.9
161.04530	1.5
161.06168	0.9
161.09740	1.7
161.13414	1.9
163.06049	1.8
163.11287	1.4
173.04538	2.2
174.45772	0.8
175.02501	2.2
177.01971	1.0
179.03470	1.5
179.10768	1.1
187.11232	2.6
189.09102	1.0
189.20253	1.0
191.05614	2.6
205.07112	1.8
205.12329	2.7
207.05173	2.1
223.13383	2.6
249.06172	14.6
249.11510	1.0
267.07208	75.1
268.07550	1.9
289.07056	1.1
341.16049	1.3
371.20859	1.6
457.17090	1.5
499.18134	2.2
517.19232	100.0
518.19202	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	517.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29288	1.3
59.01373	4.0
59.65004	1.4
67.01879	5.3
69.58330	4.1
69.58739	3.3
71.01373	5.1
76.37964	1.1
81.03422	2.0
85.02943	4.7
87.00855	3.0
93.03455	24.6
96.20862	1.2
108.02161	13.2
109.02234	1.7
109.02958	27.4
109.42732	1.3
111.04514	4.1
115.00377	6.0
119.05027	7.2
121.02934	1.6
122.03749	7.3
123.04546	1.4
127.03960	1.9
133.06537	1.8
135.04520	32.5
137.02429	4.3
147.04465	1.3
151.70876	1.3
155.03444	4.0
161.06056	1.6
163.04008	8.8
173.04544	74.3
179.03500	21.6
191.05624	42.6
192.05893	1.8
226.06340	14.3
227.07135	12.1
253.08733	4.7
255.10262	100.0
256.10593	4.7
299.09207	4.1
316.46774	1.3
343.08200	75.9
344.08426	4.8
353.08978	2.0
517.13269	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	517.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14428	0.9
57.79696	1.0
59.01377	4.2
67.01885	4.3
69.03455	1.4
70.32877	2.1
70.33264	1.8
71.01383	5.2
71.78172	1.0
81.03458	1.5
83.05023	2.1
85.02952	7.4
87.00882	2.0
93.03461	29.8
93.58591	1.2
99.04520	1.1
107.05036	1.6
108.02157	7.0
109.02958	23.2
111.04545	8.6
113.02435	1.5
115.00369	3.3
117.03502	1.1
119.05036	23.6
122.03734	3.5
123.04521	1.6
127.04002	2.4
129.01962	1.2
133.02989	1.3
133.06595	1.9
134.03731	4.6
135.04538	99.0
136.04880	4.5
137.02444	5.6
145.06604	1.2
147.04538	1.2
149.00854	1.1
149.06104	1.0
155.03522	7.5
161.06012	1.8
163.04019	30.2
173.04556	100.0
174.04918	3.3
179.03502	69.2
180.03838	3.6
181.04135	1.4
191.05624	59.8
226.06314	7.1
227.07100	6.8
235.02455	1.1
237.09209	1.1
239.07132	2.6
244.06503	1.7
253.08723	2.5
255.10262	87.2
256.10574	5.4
299.09244	9.1
337.09210	8.4
341.08713	1.5
343.08246	41.7
344.08743	3.0
353.08627	2.7
397.07999	1.2
473.14551	2.3
517.13531	15.2
518.16016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.099
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
50.34636	1.3
52.29445	1.5
59.01383	37.8
61.98829	7.8
69.29316	6.5
69.29745	4.8
71.01384	11.8
73.02936	2.9
75.00864	1.7
77.03971	2.2
77.23832	1.4
79.01913	1.7
81.83123	1.2
85.02947	5.1
87.00870	5.2
89.02452	10.1
93.03452	5.1
99.00890	2.6
101.02467	7.2
103.00351	2.3
109.02952	2.4
110.22388	1.3
112.98822	7.9
113.02449	4.3
117.03456	13.6
119.05046	1.6
121.02971	3.1
125.02450	2.9
130.99893	2.9
131.03471	4.3
135.04518	5.0
143.03398	1.6
149.02480	2.5
149.04552	4.4
159.04478	3.6
161.02429	6.4
161.04533	1.5
163.04018	5.3
163.06174	1.8
165.01953	1.4
173.04555	5.9
177.01978	1.6
179.03407	1.7
181.12364	2.0
191.03523	3.9
191.05585	8.4
203.03403	1.5
205.12341	2.5
255.83321	1.4
264.49960	1.5
267.07114	2.7
268.03687	2.9
269.04419	5.4
281.04492	5.2
282.05252	4.6
283.06125	53.9
284.06393	2.6
293.04520	3.9
295.06137	2.9
311.05612	100.0
312.05844	5.1
323.05594	6.7
339.04910	1.5
341.06677	15.5
385.18796	3.3
413.08823	20.3
414.09140	2.4
473.10913	56.9
474.11209	6.6
500.70453	1.6
517.19128	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	517.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	77.2
59.35463	0.8
60.01720	1.1
61.98833	4.2
63.37763	0.6
86.65858	0.6
90.97122	1.3
114.25999	0.6
128.96210	0.6
156.99913	1.0
157.03546	1.4
158.03564	0.7
174.97725	1.4
174.99249	25.9
201.02548	20.3
202.02699	7.9
203.02364	1.8
217.00296	100.0
218.00620	2.3
218.98232	0.8
256.32126	0.8
334.97275	0.7
343.03735	1.0
344.03925	4.3
345.03674	1.0
350.18155	0.7
359.01471	12.4
360.01666	0.9
374.99200	54.4
375.99115	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	516.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
59.88750	0.8
61.98830	100.0
62.45344	0.8
69.69056	4.3
71.01401	2.0
74.02457	0.7
85.02988	0.8
89.02435	1.0
98.20634	0.9
101.02433	1.5
113.02396	1.1
120.05802	0.7
128.03581	1.0
143.04616	1.4
255.60428	0.8
424.35056	0.8
461.56732	0.8
512.96454	0.9
516.23663	1.0
517.30164	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	516.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41139	0.5
59.01385	2.3
61.98828	100.0
63.97675	0.6
64.96783	0.6
68.92360	0.5
71.01389	0.8
71.52697	1.2
85.02952	0.7
89.02491	0.7
96.96063	0.7
101.02477	1.0
101.92024	0.5
105.46449	0.7
121.02950	5.8
125.02419	0.7
186.70473	0.6
208.27264	0.7
225.05647	0.7
277.14944	0.7
281.35413	0.7
313.07285	0.8
340.72089	0.6
401.08868	3.9
458.20322	0.8
473.24191	0.8
506.71732	0.6
517.30225	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	515.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82104	1.3
51.60504	1.3
58.02982	11.1
59.01372	2.2
69.72846	7.5
71.01385	21.0
72.00900	1.4
74.02470	26.1
81.04599	1.4
82.02967	2.9
84.04551	1.7
86.02474	8.3
87.05632	4.8
93.03450	8.2
96.99927	4.6
97.04085	2.4
99.05643	21.8
101.07208	4.9
101.57436	1.3
102.05594	4.1
107.06164	2.7
109.02959	1.7
109.04073	2.5
111.04520	1.8
111.05647	2.7
112.04054	2.2
115.00375	28.1
123.05643	2.4
125.03047	4.0
126.03823	26.9
127.05141	2.4
128.03540	51.5
135.04529	15.2
135.05647	6.0
137.02449	1.9
137.07294	1.8
141.06702	2.8
143.04623	67.1
145.06143	3.3
146.04591	7.2
147.22293	1.3
149.07184	1.9
153.06703	4.1
154.06946	2.0
155.03528	2.1
161.02417	1.8
161.06033	2.2
166.09802	3.3
167.04660	3.2
167.08267	5.2
170.03438	1.6
173.04555	19.5
175.01804	1.4
179.03448	8.4
179.04813	16.4
181.06239	1.8
184.10934	1.6
185.05736	2.9
191.05635	5.4
197.05678	2.4
198.05862	3.7
210.08855	16.2
242.04874	11.5
254.07840	23.8
270.09125	1.7
272.08875	29.0
299.05557	1.4
341.06293	1.2
341.08688	6.4
342.11572	2.4
364.51871	1.3
381.12384	3.6
386.10110	2.0
399.13428	37.2
400.13528	2.0
453.14468	3.1
471.15302	8.7
497.13522	10.8
515.14484	100.0
516.14935	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85472	0.7
58.02966	1.5
59.01378	1.3
60.03503	0.9
63.49826	0.8
67.01885	3.0
71.01376	4.8
71.20546	1.2
71.20876	1.2
74.02465	1.8
85.02941	3.5
86.02444	1.2
87.00877	1.5
87.40690	0.8
93.03457	20.1
99.05595	1.9
109.02964	1.9
111.04504	3.9
113.02397	1.3
115.00344	2.6
124.59825	0.9
126.03821	3.0
128.03549	5.5
133.02936	1.5
134.03726	2.8
135.04527	86.5
136.04845	1.5
137.02422	3.7
143.04614	8.5
146.04544	1.1
155.03511	3.4
161.02477	6.8
173.04536	43.8
174.04861	1.3
179.03481	100.0
180.03839	3.4
191.03978	1.5
191.05597	16.6
210.08798	2.1
254.07729	2.5
272.08832	2.0
322.05515	0.9
323.07703	1.6
335.07748	1.5
341.08771	62.4
342.09030	2.6
353.08868	3.3
399.13416	3.6
400.13770	1.1
478.29361	0.9
497.13580	1.1
515.14215	36.9
516.14539	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	515.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66915	0.6
59.01392	0.8
65.56926	0.7
68.00553	0.7
70.91855	0.7
70.92185	1.6
83.05042	1.3
85.02943	3.2
87.00889	0.9
93.03474	4.1
105.60197	0.8
107.05076	0.9
111.04531	3.1
127.03946	0.7
133.02943	1.0
134.03729	2.0
135.04527	93.4
136.04839	2.4
137.02440	1.0
145.49171	0.7
155.03494	2.7
161.02432	9.3
162.02673	0.7
166.36818	0.7
173.04561	4.3
179.03493	100.0
180.03819	3.2
191.05612	26.0
211.97787	0.8
218.01797	0.8
247.49298	0.9
297.07724	0.8
307.58481	0.8
323.07782	3.2
335.07721	2.3
341.08765	28.2
342.09259	1.2
353.08948	2.9
362.32504	0.7
364.25366	0.9
515.14081	56.5
516.14496	4.7
518.49384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
60.01925	0.6
67.01899	4.6
69.03451	1.2
69.44916	0.6
69.54561	3.6
71.01382	3.7
81.03475	0.8
83.05032	1.3
83.60735	0.6
85.02953	3.4
87.00881	0.9
91.88449	0.6
93.03465	25.6
94.03815	0.7
107.05005	0.6
109.02944	2.1
111.00898	1.6
111.04539	4.1
113.02478	0.7
119.18015	0.8
126.36068	0.6
127.04047	1.4
133.02974	1.4
134.03772	2.4
135.04538	81.4
136.04858	1.4
137.02425	5.1
145.09520	0.6
147.04541	0.7
155.03502	4.8
161.02422	5.6
161.06104	2.1
173.04559	60.8
174.04944	0.8
179.03508	100.0
180.03838	3.1
191.05606	14.4
203.03552	0.9
220.79872	0.6
254.63316	0.8
267.07288	1.3
323.07828	0.7
335.07724	1.5
341.08841	57.3
342.09195	2.7
353.08798	7.0
378.91101	0.7
515.14099	38.9
516.14270	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	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65589	0.6
57.03452	1.4
59.01391	3.4
61.98829	1.6
67.01887	5.1
69.03441	0.9
69.20695	6.4
71.01372	4.1
81.03445	0.9
83.05051	1.2
85.02940	1.9
87.00894	1.1
93.03455	28.6
101.02460	0.7
109.02950	54.1
110.03280	1.2
111.00906	1.1
111.04518	5.9
113.02438	0.9
120.48255	0.9
135.04530	15.6
137.02451	6.1
143.52480	0.7
143.53619	0.7
145.02951	23.7
146.03720	1.1
151.03990	2.0
155.03494	6.9
159.04520	3.8
161.02438	8.8
161.06079	15.7
162.06316	1.1
166.05011	1.0
173.04543	100.0
174.04898	2.3
175.03976	1.2
179.03497	15.7
184.42757	0.7
185.53400	0.7
187.03978	5.8
191.05617	7.6
205.05014	2.2
211.03931	1.0
225.05434	1.0
226.07207	6.0
231.02969	1.3
237.05472	2.3
238.06140	0.9
239.03441	4.1
240.04266	5.0
245.08282	0.8
253.05064	8.4
253.08609	2.2
255.06638	9.1
264.04175	0.9
271.09879	0.9
279.03195	1.3
279.06534	1.8
281.01376	1.3
281.04507	26.2
282.04913	2.1
289.07162	1.3
297.07657	16.7
299.05627	1.2
323.05576	2.9
341.06628	82.7
342.06976	5.8
515.11896	23.3
516.12573	1.5
527.90485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.31696	0.7
69.32115	0.3
94.60883	0.1
98.20740	0.1
111.20064	0.1
177.02061	0.1
177.30016	0.1
224.57356	0.1
260.78192	0.1
341.06845	0.2
357.87784	0.1
451.10742	0.1
454.34491	0.1
514.32495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	3.1
59.01374	3.2
61.98830	37.1
69.73814	2.7
71.01405	1.6
73.04098	1.6
74.02472	16.4
79.63247	0.5
82.06657	0.6
85.02971	0.7
87.05643	4.4
88.04070	0.9
89.02470	1.0
93.03493	0.7
97.04074	1.0
98.02495	2.1
101.02446	0.7
101.07221	0.9
109.02937	2.8
112.07725	0.4
113.02424	0.6
115.05141	3.0
115.56819	0.4
116.03562	0.6
123.04572	1.3
125.02445	3.4
126.02732	0.6
126.09264	1.8
129.10342	9.7
130.08739	3.1
131.03528	0.4
135.04549	1.1
137.02435	0.8
139.08844	0.7
140.07231	2.0
141.10355	0.7
143.11900	10.9
149.02483	0.5
151.04047	1.9
151.08794	2.0
152.07184	1.1
153.05475	1.8
153.10312	4.5
155.11925	1.9
161.02469	1.5
165.10280	0.7
166.08733	1.4
168.11414	9.8
168.12740	0.7
169.09808	2.5
173.04588	1.8
177.01970	1.3
179.03586	1.1
179.11929	1.6
183.11409	4.2
186.12483	6.9
187.03990	0.5
187.10840	4.0
187.12178	0.4
189.01971	1.2
191.05602	0.8
197.13081	0.5
198.80602	0.5
200.14049	2.0
201.12451	0.5
203.07066	0.6
210.12473	28.7
211.12796	0.9
214.15607	17.1
217.01405	0.7
219.03021	0.6
228.13513	14.5
239.15205	0.5
245.08125	0.8
258.14633	1.5
267.07217	0.6
281.16043	0.5
289.07178	3.5
290.07501	0.6
299.17221	0.9
309.23163	0.5
327.23984	9.0
335.07803	0.6
341.06720	1.2
351.24048	0.6
371.22855	1.3
384.26105	2.1
395.22757	0.6
426.27335	1.2
431.81851	0.5
451.10345	0.6
470.26144	100.0
471.26413	8.5
496.27744	1.2
514.21149	0.8
514.28748	16.7
515.28992	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	514.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88229	1.8
58.02984	12.8
61.98835	3.7
69.92098	9.5
70.02971	7.7
74.02478	33.0
82.03006	2.5
86.02486	9.6
87.05630	5.4
93.03436	1.9
96.99917	4.4
97.04051	3.3
98.19900	2.6
99.05642	24.6
101.07202	7.4
102.05604	6.2
109.04056	7.3
109.07714	1.9
111.48090	1.9
112.03997	2.1
113.07207	2.8
114.01983	10.4
123.05680	3.1
124.04005	2.2
125.02948	10.7
126.03830	25.9
127.05159	5.1
128.03542	65.2
128.05391	2.6
135.04509	9.3
135.05637	11.1
137.07181	2.8
141.06702	4.1
143.04623	81.1
145.06177	5.0
146.04550	10.0
153.06683	6.5
155.08206	3.1
166.09871	4.7
167.04620	4.7
167.08228	4.9
179.03391	7.7
179.04758	17.8
181.06145	4.0
181.20767	2.3
184.10797	3.3
185.05667	4.1
188.50385	2.2
191.05528	3.8
197.07542	7.9
201.81976	2.1
202.97939	2.0
210.08862	24.1
211.15102	2.6
241.06526	13.0
246.08240	1.9
253.38214	2.1
254.05424	3.1
254.07825	30.8
260.04877	2.0
267.87140	2.1
270.09137	3.1
272.08856	40.6
322.01855	2.2
341.08542	2.3
381.12354	4.1
385.11862	3.7
399.08624	4.1
399.13440	54.5
470.17834	6.0
496.14911	16.0
514.16046	100.0
515.15350	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	514.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12394	0.7
51.48222	0.7
56.35900	0.8
59.01381	2.2
61.98832	100.0
62.87156	0.7
71.51353	1.2
85.95434	0.8
89.28373	0.8
99.00826	0.9
153.33363	0.8
211.61057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	14.7
59.01366	7.0
61.98823	10.2
66.03484	3.0
67.01881	4.1
69.94232	3.8
69.94632	6.7
70.02964	4.6
71.01366	8.8
74.02477	33.6
77.64378	2.2
81.04552	2.8
82.02998	4.0
84.04578	2.3
85.02947	6.9
86.01701	2.3
86.02491	12.3
87.00812	2.4
87.05638	7.7
89.54725	1.8
93.03458	24.0
96.00914	1.8
96.95956	3.3
96.99902	6.8
97.04050	4.2
99.05646	29.2
101.07204	4.3
102.05598	5.0
109.02932	5.4
109.04045	6.7
109.07714	2.3
111.04507	8.0
111.05630	4.6
114.01959	9.4
115.00381	3.4
123.05646	2.6
126.03840	47.6
127.04119	1.9
127.05138	5.3
128.03546	77.1
133.03014	2.1
134.03693	3.2
135.04544	90.6
135.05626	13.0
137.02415	6.6
137.07178	2.5
138.03835	15.8
141.06676	3.9
143.04630	88.0
143.05769	4.4
145.06154	1.9
146.04626	9.9
151.03937	2.2
153.06657	6.3
155.03500	5.6
155.08292	2.0
155.19418	2.0
161.02397	7.7
162.09174	1.9
163.03848	2.0
166.09796	5.9
167.04591	3.7
167.08176	5.2
173.03397	1.9
173.04544	53.7
179.03426	100.0
179.04691	13.4
185.05592	2.4
191.05609	22.4
192.07709	3.4
197.05807	2.8
197.07556	7.6
210.08859	24.7
217.68938	1.8
241.06573	13.2
254.05441	2.8
254.07846	31.5
270.09106	4.0
272.08862	44.6
297.07336	2.1
341.04922	3.7
341.08810	59.7
341.12897	3.6
353.10703	7.6
381.12259	8.5
385.11771	4.3
393.08383	2.0
399.13431	68.0
400.13333	4.7
465.88416	2.4
470.17169	3.3
471.15372	2.2
496.15082	19.9
514.16101	87.9
515.14331	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	514.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.2
61.98833	63.7
71.29128	3.2
109.02948	15.3
116.60246	1.5
123.04523	6.1
151.04001	3.1
161.02484	3.7
168.08716	1.8
177.01942	17.8
187.04109	2.0
189.01935	22.4
190.02710	9.2
191.03453	2.6
216.00693	3.2
217.01401	16.0
219.03001	9.0
229.08783	2.0
231.02994	3.8
245.08249	1.8
281.04575	7.5
282.05206	2.1
297.07648	5.3
299.05682	5.3
341.06671	100.0
342.06992	6.9
402.46475	1.7
451.10379	63.7
452.10718	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	514.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99205	0.5
57.03452	0.5
59.01381	3.9
61.98830	100.0
71.01381	1.8
71.51706	0.5
71.52113	0.7
73.02953	0.6
75.56067	0.6
82.47521	0.5
85.02962	1.5
89.02470	0.7
93.03488	1.1
101.02473	1.4
109.02952	5.9
113.02432	0.9
117.03530	0.7
119.05045	0.7
123.04516	3.0
125.02468	1.4
133.03011	0.9
134.06116	0.8
135.04550	1.3
137.02489	0.8
145.02982	1.1
149.02438	0.6
150.03244	0.8
151.03973	1.0
155.84761	0.5
161.02461	1.6
171.04507	1.3
173.04593	1.4
177.01924	6.2
178.05099	0.7
179.03487	1.0
187.03940	0.6
189.01926	14.8
190.02725	2.9
191.03473	3.0
201.01915	0.8
203.03517	1.9
209.15367	0.6
216.00658	1.1
217.01421	10.7
217.03505	0.7
219.02959	3.6
231.02988	4.0
248.05379	0.6
273.03900	0.5
289.07245	1.2
299.05719	0.9
307.06137	1.3
335.05624	1.4
341.06644	26.8
342.07043	2.0
363.05127	1.2
393.06226	0.9
395.07642	3.2
425.08823	2.6
451.10358	21.6
452.10828	2.3
497.11072	1.0
513.29700	0.8
515.11890	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	514.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12252	2.2
53.71580	1.7
59.01373	4.6
59.40760	1.8
61.98829	20.1
74.53909	2.0
74.58123	1.9
92.87070	2.0
109.02947	21.7
123.04498	10.4
123.41111	1.9
133.02965	2.4
146.51254	1.9
147.04474	2.1
151.03976	6.4
151.87859	1.8
161.02429	6.3
177.01939	23.4
189.01933	46.7
190.02638	11.6
191.03481	12.0
203.03523	5.2
216.00691	4.0
217.01413	35.9
218.02110	3.9
219.02986	13.7
220.92015	1.8
231.02982	12.6
289.07138	2.1
341.06650	100.0
342.07043	5.7
451.10339	71.2
452.10526	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	514.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98829	100.0
65.46721	0.3
69.44061	2.5
93.03473	0.3
96.54293	0.3
98.20627	0.7
104.88117	0.3
109.02951	2.0
122.03796	0.4
123.04533	0.9
125.02448	1.1
133.29555	0.3
135.04512	0.4
137.02472	0.5
151.04056	1.2
151.31604	0.3
161.02499	0.8
173.04558	0.5
177.01958	1.8
187.04210	0.3
189.02014	1.2
190.02591	0.4
191.03172	0.3
204.47464	0.3
216.00763	0.5
218.44394	0.3
245.08208	0.3
281.04538	0.5
289.07300	1.1
290.07465	0.4
299.05664	0.6
327.32608	0.3
341.06638	3.1
403.30896	0.4
412.97626	0.5
451.10040	1.5
514.20105	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	513.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89891	23.6
60.14436	22.4
60.68483	21.5
61.98822	100.0
62.31347	24.0
67.96621	25.1
71.42061	39.3
78.39294	25.7
104.64335	26.2
107.62148	26.3
115.92043	30.9
127.25323	24.1
129.88379	23.1
162.90683	22.9
209.62672	26.4
243.13400	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	514.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98833	100.0
63.99253	1.2
67.65952	0.7
69.45055	4.9
71.01395	0.8
76.65778	0.7
98.19950	1.5
101.02409	0.9
109.02957	5.1
113.02521	0.9
118.66768	0.6
123.04510	1.9
125.02454	1.5
135.04533	1.9
141.85390	0.6
143.04599	0.7
151.00456	0.8
151.04016	1.2
155.72566	0.6
161.02521	1.4
163.04015	0.7
173.04590	1.5
177.01950	6.7
179.03424	0.9
187.03911	0.8
189.01978	5.2
190.02748	2.9
191.87624	0.7
209.81403	0.6
217.01398	2.5
219.03120	1.8
231.03108	0.8
272.08780	0.8
281.04666	1.3
287.05701	1.0
288.06458	0.9
289.06406	1.2
297.07715	1.4
299.05563	3.4
306.07843	1.8
324.72461	0.7
341.06653	17.2
342.07062	1.7
398.21140	0.9
451.10358	14.7
452.10812	1.2
514.20728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60268	0.1
55.01904	0.3
57.03481	0.1
58.00610	0.2
59.01377	5.7
68.19528	0.1
70.31496	0.4
70.31834	0.1
71.01378	4.5
72.99338	0.2
73.02942	1.3
83.01423	0.4
85.02951	1.2
87.00903	0.5
89.02444	3.7
91.62376	0.1
95.01430	0.4
97.02986	0.2
99.00891	0.2
101.02446	4.3
101.03078	0.3
103.04089	0.1
113.02450	1.9
115.04099	0.1
119.03504	1.0
125.02463	0.3
127.07684	0.3
133.05067	0.5
143.03534	0.4
153.14023	0.1
157.05171	0.1
161.04575	1.8
179.05647	0.6
233.22691	0.4
235.08215	1.0
253.09283	15.9
254.09599	0.5
259.20572	0.3
275.20148	0.4
277.21704	100.0
278.22052	6.7
289.33755	0.2
329.19391	0.1
477.11774	0.2
510.03610	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21787	0.1
53.87821	0.1
55.01877	0.3
57.03439	0.1
58.00614	0.2
59.01379	6.1
68.33492	0.1
69.03472	0.1
70.92774	0.1
71.01381	4.5
71.51616	0.1
72.99316	0.2
73.02953	1.1
81.03459	0.1
83.01402	0.6
83.05022	0.2
85.02947	1.1
87.00867	0.6
89.02448	3.6
91.04024	0.2
95.01409	0.3
97.02964	0.2
99.00891	0.3
101.02445	4.5
103.04016	0.1
110.22265	0.1
113.02455	2.1
115.04002	0.1
119.03503	1.0
125.02432	0.2
127.07647	0.2
131.03554	0.2
133.05063	0.4
140.50774	0.1
143.03506	0.4
147.22702	0.1
149.04543	0.1
150.00484	0.1
157.05019	0.1
161.04553	1.6
179.05608	0.6
182.13243	0.1
195.68526	0.1
205.19580	0.1
226.24927	0.1
233.22754	0.2
235.08231	1.0
253.09280	15.2
254.09676	0.5
259.20734	0.4
275.20035	0.4
277.21707	100.0
278.22061	6.4
334.01047	0.1
475.38248	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
59.01381	99.7
61.98830	45.6
65.76608	1.5
69.17554	18.1
71.01390	9.4
72.79581	1.4
73.02943	3.9
74.02507	1.6
80.05241	1.5
81.03452	3.8
83.01382	1.9
85.02937	4.7
87.00883	2.2
89.02451	4.7
89.74242	1.8
96.96036	2.5
99.04523	88.0
101.02443	16.1
109.02934	2.9
113.02443	4.3
119.05079	1.6
123.04539	2.4
125.02451	36.4
128.03514	2.1
135.04500	1.9
143.04558	2.7
151.04068	2.2
161.02467	1.8
161.04599	3.8
164.51912	1.9
210.08723	2.2
254.07860	2.0
272.08804	3.8
289.07135	1.8
311.05502	3.0
337.20081	3.7
341.06726	2.0
453.31421	2.8
513.20392	5.0
514.20471	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	513.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03454	2.8
59.01105	3.0
59.01381	38.9
60.99313	1.6
61.98833	100.0
71.01381	22.5
71.52802	1.6
71.53199	2.1
72.99322	2.7
73.02953	4.0
77.10651	1.5
83.01399	4.2
85.02927	8.3
87.00882	2.7
88.98825	9.3
89.02443	31.9
92.45082	1.4
95.01335	2.2
95.49185	1.6
97.02975	1.5
99.00854	2.1
101.02446	23.0
109.02945	3.0
113.02454	9.6
119.03497	6.7
124.07745	1.6
128.03537	1.6
143.03496	4.1
161.04547	2.1
179.05598	4.6
291.18185	7.1
351.21973	2.4
453.23410	67.7
454.23654	4.8
513.29309	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	512.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73646	0.3
59.01383	1.0
61.98830	100.0
63.71188	0.3
98.20643	0.7
109.02951	0.4
119.05026	0.8
120.05383	0.4
126.26239	0.3
131.09221	0.3
133.12801	0.3
135.04561	0.5
163.04004	2.1
164.04393	1.1
177.65553	0.4
181.18434	0.3
329.05615	0.5
342.93185	0.3
396.19400	0.5
407.48138	0.4
436.18958	0.3
449.10175	1.3
512.20374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98831	100.0
62.41738	0.5
71.01393	1.0
71.52282	0.7
71.89020	0.4
75.15817	0.4
78.95924	1.3
84.21130	0.5
89.02413	0.6
101.02457	0.5
119.80534	0.5
188.10153	0.4
268.08386	0.5
329.05804	0.6
351.22021	0.6
443.31705	0.5
449.10153	1.3
450.08255	0.5
453.23083	0.6
491.38852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09851	1.2
56.58361	1.0
57.03449	100.0
58.51337	1.1
59.01378	72.9
59.29107	1.2
61.98829	55.5
69.24598	8.9
69.25017	3.0
69.84661	1.3
71.01380	11.3
73.02948	10.2
75.00865	2.7
81.03456	3.5
83.01388	3.8
85.02957	2.6
89.02435	3.6
89.10429	1.2
99.00891	1.7
99.04518	80.4
100.04822	1.5
101.02449	27.3
106.75513	1.3
109.02950	8.4
113.02458	4.2
119.03502	1.8
119.04948	1.3
123.04495	6.0
125.02448	35.9
126.02759	1.5
131.46317	1.4
133.02965	3.6
135.04527	1.4
143.03491	2.7
145.02928	2.2
147.04515	1.9
151.04008	3.8
161.02405	3.5
161.04533	2.6
177.01949	11.3
189.01927	18.3
190.02664	2.6
191.03503	4.3
192.06212	1.4
197.79626	1.4
203.05544	2.7
216.00583	2.5
217.01401	15.3
217.14400	5.8
219.02959	6.0
223.45117	1.5
231.02954	5.1
265.21765	1.3
289.07190	1.8
310.72540	1.4
341.06665	46.5
437.28812	1.4
451.10336	44.3
513.13928	1.6
513.20490	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	512.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.98832	100.0
70.47935	0.6
71.01389	0.6
73.02952	0.3
81.97299	0.3
85.02982	0.3
90.64909	0.3
98.56732	0.3
100.84898	0.3
101.02440	0.6
109.02970	0.3
113.02395	0.3
124.07720	0.7
125.02493	0.4
135.04616	0.3
137.02528	0.3
151.00356	0.4
173.75452	0.3
205.05182	0.4
216.99767	0.3
231.47523	0.3
287.05640	0.4
287.14035	4.2
306.69510	0.3
327.04922	0.4
329.05887	0.3
329.15176	0.5
449.09827	0.7
449.19513	1.0
453.23502	0.6
492.48856	0.3
512.19531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61506	0.4
59.01379	0.7
61.98831	100.0
63.02422	0.4
65.00326	1.2
65.83896	0.4
65.92106	0.4
69.27692	3.6
83.01384	0.7
86.16076	0.4
107.01395	2.7
122.06137	0.5
125.02473	0.9
135.04533	9.7
135.05539	0.7
147.42935	0.4
151.00369	19.7
173.04651	0.4
194.23413	0.4
204.06639	0.6
237.10428	0.5
239.08214	0.8
241.90382	0.4
251.48569	0.4
253.06253	0.5
253.09868	0.5
267.07687	0.6
268.08557	0.5
280.08505	0.4
281.09402	1.5
287.05609	19.5
288.06030	0.8
295.10950	0.8
296.11703	1.2
313.12082	0.5
389.58209	0.4
418.17590	0.9
436.19138	1.2
449.10840	14.0
450.11288	1.3
472.83224	0.5
480.17624	0.7
494.19547	0.7
512.20386	9.7
513.20935	0.9
531.11407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17511	19.7
50.99501	21.9
58.51205	18.1
59.01383	39.4
116.07198	21.6
146.62308	18.9
155.50172	22.7
155.55833	19.6
227.10759	36.0
229.39769	23.8
285.03745	23.8
328.05365	47.2
448.09818	46.5
475.38025	100.0
511.34982	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	512.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57766	0.6
52.59977	0.6
59.01391	0.9
61.98831	100.0
63.02378	0.8
63.70271	0.6
65.00330	5.5
69.37560	5.7
83.01408	2.6
92.15768	0.7
98.19866	1.2
107.01387	10.1
107.02053	0.9
109.02966	1.0
116.06699	0.7
125.02470	2.7
134.03799	0.9
135.04526	46.2
136.04909	1.0
144.15678	0.7
146.90105	0.7
151.00372	79.4
152.00729	2.7
154.30342	0.7
161.02504	0.9
268.04221	0.7
287.05618	61.3
288.05881	4.1
311.10269	0.8
329.05856	1.1
335.21698	0.7
387.11990	1.6
423.40729	0.7
449.10889	54.4
450.11261	4.6
515.25116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	75.1
63.37547	19.3
69.92791	100.0
70.92736	24.1
98.20026	25.6
102.73412	19.2
145.22688	21.6
145.86166	20.7
155.77740	21.1
223.96315	20.3
326.47052	21.9
328.05563	30.1
429.30060	20.8
448.09476	40.5
511.35620	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	511.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	63.6
63.75590	23.3
67.41708	25.3
78.95924	31.6
85.53218	24.9
98.19905	100.0
121.52275	31.0
123.19598	28.8
152.99632	34.9
281.24872	72.8
282.25116	52.4
283.25574	57.4
328.05069	35.5
433.45541	26.6
475.38110	57.0
511.29178	93.9
511.35950	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	511.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00581	4.4
59.01364	7.1
61.98826	6.4
71.20831	5.2
88.45335	5.2
152.65761	4.5
157.31247	5.1
234.80656	4.1
475.37906	100.0
476.38071	5.5
511.35284	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	511.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50046	100.0
75.50001	13.2
81.92335	13.2
124.05694	11.8
143.45427	13.6
153.21844	12.6
169.34402	14.7
201.97758	13.8
217.91786	13.4
225.74635	12.5
252.75665	13.5
258.39304	13.1
386.62906	16.8
511.30179	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	511.356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	12.8
66.53758	7.9
67.98466	8.2
70.09113	7.9
76.42516	7.8
77.26085	7.6
78.95900	26.1
93.25867	7.7
98.19833	12.0
103.17171	7.7
107.98867	8.5
117.91122	8.8
136.87370	8.9
152.99594	20.5
283.26434	100.0
473.36365	15.1
475.38028	55.5
476.38214	9.8
511.30051	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98826	2.1
61.99115	1.1
62.65570	0.9
69.59359	0.8
70.46284	3.4
86.69473	0.9
86.80194	0.9
96.95989	2.7
103.93316	1.0
111.08102	1.6
124.41007	0.9
165.12834	19.1
183.13895	100.0
184.14189	2.5
209.11830	5.5
227.12892	16.5
283.15399	1.3
301.16556	10.8
327.05075	1.7
328.05423	4.7
338.29385	0.9
342.06537	1.0
408.59555	1.0
448.09683	5.4
467.30551	1.8
490.10327	1.1
493.28238	1.3
511.16830	1.8
511.28983	34.8
512.29401	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14045	4.9
55.58232	4.7
57.03439	4.2
59.01377	49.4
61.98833	19.6
71.01382	39.9
72.99312	5.1
73.02940	9.0
85.02954	14.8
89.02451	20.4
99.00870	6.3
101.02436	34.7
111.00878	5.2
113.02464	12.9
125.02471	5.0
129.71384	4.2
131.03485	7.2
149.04501	7.2
161.04530	8.3
173.37421	4.2
224.88612	4.4
253.48546	4.5
285.03650	5.4
286.04507	5.4
298.04416	6.9
299.05740	5.0
319.21237	35.0
327.05212	10.7
328.05389	35.4
356.15353	4.9
358.06387	7.0
394.67004	4.5
434.93723	4.8
448.09665	34.9
451.25424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48660	0.3
59.01374	0.8
61.66307	0.3
61.98831	100.0
69.39566	2.2
71.01395	0.5
75.05255	0.3
78.95900	0.4
81.03926	0.4
83.36868	0.3
86.75601	0.3
89.02461	0.3
101.02440	0.4
126.03347	0.4
127.01525	0.3
133.02965	1.1
156.21629	0.4
163.00476	0.4
165.01984	0.4
209.27298	0.3
219.67967	0.3
267.19714	0.7
268.20120	0.5
284.03333	1.9
285.04053	3.6
287.36237	0.4
297.04013	1.6
298.04855	1.0
299.05417	1.8
313.19250	0.4
327.05075	12.5
328.05484	1.0
337.98248	0.3
339.05026	0.3
352.21613	0.4
357.06073	3.0
380.96173	0.3
431.56372	0.4
447.09296	10.6
448.09750	0.7
510.17569	0.5
510.24280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.0
96.38647	0.7
107.01418	0.9
133.03017	1.6
145.96553	0.7
151.00381	2.6
175.03999	1.4
180.84464	0.8
199.04037	1.4
227.03429	1.0
256.03763	3.3
284.03262	48.1
285.04031	100.0
286.04337	5.7
327.04968	4.0
447.09296	87.9
448.09561	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	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43816	1.1
57.34758	1.2
61.98830	4.9
69.70109	5.3
81.03557	1.1
98.09515	1.0
98.20596	2.1
99.48975	1.4
109.02951	2.3
121.02958	2.2
125.60718	1.1
133.02966	13.4
135.04552	2.1
147.04541	1.3
149.02394	1.8
161.02452	2.7
163.00397	2.5
163.03998	4.6
165.01921	3.0
175.03992	4.3
177.01935	1.4
189.34457	1.1
191.03496	3.0
193.01419	2.0
199.04036	2.3
201.02054	2.8
213.05576	1.3
227.03549	1.3
241.05136	1.7
246.80092	1.0
253.04967	1.7
269.04617	1.4
275.57959	1.1
284.03226	11.2
285.04123	5.9
297.03998	15.7
298.04785	12.4
299.05618	21.4
301.54733	1.2
311.05630	3.1
327.05078	100.0
328.05377	7.1
339.05154	4.3
357.01767	1.2
357.06168	22.3
358.06403	2.5
369.06067	2.7
447.09296	73.0
448.09842	5.8
465.19724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70803	0.7
59.01375	1.8
59.99900	0.6
61.98829	7.5
69.36727	2.4
69.37153	2.7
71.01369	1.7
71.88272	0.6
75.09602	0.8
85.02930	0.8
98.19930	1.1
100.54853	0.6
107.01411	0.9
109.02953	1.3
109.51378	0.7
121.02936	1.3
125.02415	1.3
128.56689	0.6
133.02953	12.3
135.04544	1.5
139.08374	0.7
147.04463	1.2
149.02454	1.5
151.00406	0.7
151.04059	0.8
161.02380	1.0
163.00359	2.1
163.03978	3.2
165.01945	1.7
175.03993	2.9
177.01973	0.9
189.01909	0.7
191.03438	1.6
193.01350	1.1
199.04028	1.2
201.02013	1.4
203.03482	0.7
213.05635	1.1
225.05614	0.9
227.03320	1.2
240.04123	1.0
253.04996	1.3
255.02979	1.0
269.04568	1.1
284.03214	9.7
285.04028	15.7
297.04019	20.7
298.04776	9.6
299.05573	14.3
300.05954	1.4
311.05579	2.8
324.02811	0.7
325.03574	0.8
327.05072	100.0
328.05402	6.0
339.05045	4.3
341.06561	1.7
357.06155	43.6
358.06604	3.1
369.06158	5.1
393.06055	2.3
411.07233	1.1
447.09283	42.5
448.09668	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37643	0.5
70.97591	0.9
70.97961	0.8
78.95902	18.8
96.96960	1.9
133.55736	0.4
152.99586	29.9
171.00633	1.3
227.03253	4.9
245.04355	0.8
270.62219	0.5
281.24847	100.0
282.25159	4.7
284.71216	0.5
306.81927	0.5
417.24063	0.7
417.33395	0.5
509.28802	58.2
510.29053	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55053	0.4
70.62224	1.0
72.59543	0.5
78.95906	17.2
92.35419	0.5
92.99526	0.4
96.96963	1.0
103.29098	0.4
148.43138	0.4
148.71828	0.4
150.97914	0.5
152.99591	29.5
171.00652	1.6
227.03258	4.2
245.04309	0.8
264.41995	0.5
281.24838	100.0
282.25214	6.2
348.18835	0.5
417.23648	0.7
421.59637	0.5
422.39474	0.6
509.28821	53.0
510.29202	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	509.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87433	11.0
59.01370	34.0
61.98819	20.0
69.98526	13.8
71.05277	21.1
71.05601	16.2
97.32582	12.1
98.40361	13.5
133.02884	12.0
143.21384	11.4
154.84891	13.1
162.79414	12.2
214.97218	12.6
263.46536	12.0
284.03305	14.6
285.03885	26.0
297.04001	27.4
299.05664	20.1
305.25616	14.7
327.04999	81.3
357.06174	35.0
397.06821	12.7
447.09448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
57.03447	3.1
59.01382	100.0
59.89526	1.8
61.03830	1.6
61.98832	46.4
69.35826	8.0
69.36255	7.1
71.01383	37.8
72.99306	3.9
73.02948	14.5
75.79237	2.0
83.01388	9.0
85.02958	14.4
87.00877	3.2
89.02452	15.6
93.16737	1.7
95.01357	4.4
98.12592	1.8
99.00854	2.9
101.02437	23.6
109.02931	3.3
113.02438	15.6
115.31250	3.0
119.03508	5.7
119.04958	2.3
121.06693	2.1
125.02448	3.5
127.94479	1.8
133.02980	8.0
134.07362	2.9
143.03522	2.5
145.38501	1.6
149.02423	3.5
150.03221	4.1
161.04544	7.0
165.05624	3.9
183.13960	8.7
195.13832	6.7
209.11844	2.4
213.14952	80.0
214.15285	4.1
253.09337	34.7
256.04019	2.3
261.18600	17.9
266.28574	1.9
269.04672	2.8
273.17072	98.2
274.17319	5.4
283.02390	3.2
284.03134	10.9
285.04053	15.2
297.04092	8.4
298.04730	5.7
299.05551	9.7
313.07178	5.2
322.82532	1.8
327.01370	4.1
327.05087	48.5
357.06250	12.6
395.57953	2.3
405.22827	15.1
423.23859	39.1
424.24121	3.3
435.10864	2.2
447.09302	52.0
509.23880	64.5
509.30139	3.0
510.24152	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	508.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58082	0.3
56.25286	0.3
59.01374	0.7
61.98829	100.0
63.10002	0.3
67.78146	0.3
69.33053	1.8
71.01384	0.3
72.96095	0.3
78.95913	0.6
160.60715	0.3
262.12988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.3
68.90559	2.7
71.01403	3.1
71.51208	4.0
81.03485	3.0
82.02991	6.9
86.02489	2.9
87.00868	3.6
92.14218	2.7
94.03017	5.5
94.97049	2.6
95.02503	13.6
96.96040	2.8
96.96948	4.2
97.04073	28.5
109.04084	27.1
118.06640	19.2
121.13483	2.8
123.05650	7.3
125.03555	6.1
135.02010	3.5
135.04532	4.9
136.05109	2.9
137.03589	17.5
139.05133	4.4
147.04495	13.2
149.03574	4.6
151.05164	7.1
152.04634	3.5
153.03111	3.5
155.04648	7.3
164.07187	20.1
166.06203	3.9
167.04611	16.3
173.04539	6.4
177.03099	3.8
179.04738	3.8
181.06082	3.4
190.05133	6.6
191.05612	10.1
192.04266	3.4
207.03999	3.2
209.03275	2.7
210.05180	45.5
213.10306	8.8
222.05135	5.7
255.87627	3.0
256.10919	10.9
264.06277	7.1
294.07239	3.2
300.09961	7.5
317.12546	100.0
318.12814	7.4
340.08701	3.9
345.11871	3.5
357.11896	4.8
375.13116	86.0
376.13318	6.5
387.13049	12.3
405.13812	4.5
429.14133	5.0
465.16406	3.8
471.10339	3.0
509.15982	11.0
528.01782	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	507.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.6
57.03452	4.0
58.00584	1.2
59.01381	22.2
61.98830	1.4
67.51566	0.6
69.03461	0.7
69.73318	2.3
71.01384	47.1
72.01693	0.6
72.99305	2.3
73.02946	16.8
73.37305	0.6
73.74071	0.5
75.00884	1.4
75.96819	0.6
83.01392	8.8
83.72585	0.6
85.02954	25.3
86.00124	1.1
87.00887	3.2
88.72890	0.6
89.02448	6.6
95.01411	3.0
97.02952	0.9
97.17930	0.5
99.00885	7.8
101.02444	42.7
111.00891	4.9
113.02448	20.5
119.03486	3.4
124.01628	0.7
125.02468	1.7
129.01952	2.1
131.03517	1.1
143.03522	2.7
143.06642	0.6
159.02975	7.1
161.04541	19.5
168.75449	0.6
179.05602	1.1
299.25989	2.3
345.25781	0.9
345.30054	14.6
346.30313	1.2
507.35376	100.0
508.35663	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71965	0.5
54.10579	0.5
54.18752	0.4
55.01879	3.7
56.44611	0.5
57.03442	2.8
57.73106	0.5
58.00592	0.8
59.01384	13.6
61.98837	1.7
64.15405	0.5
69.03436	0.7
69.22665	5.4
71.01385	28.6
72.01754	0.5
72.99321	1.4
73.02950	11.9
75.00871	1.1
83.01390	6.7
84.57842	0.5
85.02953	17.7
85.03473	1.0
85.06198	0.5
86.00112	0.8
87.00877	1.5
89.02437	3.1
95.01377	2.4
97.02934	0.7
99.00890	5.5
101.02448	26.0
107.63776	0.6
111.00880	5.1
113.02457	11.2
119.03529	1.1
123.04534	0.6
125.02490	1.1
129.01945	1.2
131.03499	0.5
135.04485	0.8
137.02417	1.6
143.03496	1.2
143.86763	0.5
159.02969	3.2
161.04567	7.1
182.23888	0.5
217.08682	1.5
262.34613	0.5
289.07489	1.1
299.25848	1.7
345.26288	0.8
345.30118	7.4
369.13730	0.8
492.36438	0.5
507.35434	100.0
508.35782	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	0.7
70.07435	1.1
70.07829	1.4
78.95909	21.4
79.46526	0.6
82.56336	0.5
89.12108	0.5
96.96983	1.2
126.71277	0.6
152.99583	31.3
154.16388	0.5
171.00629	1.5
227.03282	5.4
245.04280	1.8
279.23273	100.0
280.23639	7.6
408.72946	0.7
415.22650	1.1
482.87128	0.6
507.27240	56.5
508.27402	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01379	100.0
61.98830	2.0
64.67813	0.5
65.01531	0.6
70.65244	1.3
71.01373	5.9
72.99323	0.5
73.02948	4.5
75.00915	0.6
81.03443	1.2
83.01390	1.8
85.02973	1.7
87.00891	0.6
89.02454	1.6
93.03485	0.6
95.01387	0.9
97.02937	0.6
99.00914	0.8
99.04542	1.2
101.02437	5.1
109.02982	1.0
113.02437	3.5
114.12835	0.5
119.03493	0.8
123.04528	1.5
125.02445	8.3
133.02983	1.2
137.02483	0.5
141.63712	0.5
143.03587	0.8
149.02461	1.6
149.04558	1.1
149.09729	1.7
151.00380	1.9
153.01929	2.4
161.04605	2.3
163.03975	0.7
167.03517	5.7
167.10786	3.9
168.06784	0.5
173.04567	0.5
175.04048	0.5
177.01965	1.4
178.99863	1.4
181.01472	0.9
181.05038	5.4
191.03551	0.8
196.07393	5.4
197.09785	1.2
211.09755	13.2
211.11642	1.0
213.12817	0.7
225.15048	0.8
235.02605	0.6
235.08243	0.7
241.08813	0.7
257.11893	2.0
267.07230	3.7
275.05692	1.7
285.03998	3.7
303.05087	4.9
345.06152	1.1
383.06314	0.6
385.07602	0.7
387.20334	1.3
447.22424	2.3
463.16360	1.1
474.15692	0.7
507.20813	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03441	2.2
59.01381	82.9
61.73971	1.7
61.98831	17.8
69.03486	2.1
70.43778	5.7
71.01004	3.6
71.01381	47.3
72.99301	6.8
73.02944	8.0
83.01385	3.2
85.02943	14.6
87.00860	4.5
89.02443	57.7
95.26395	1.7
96.96094	1.8
98.16707	1.9
99.00857	2.8
101.02439	34.7
103.03992	1.7
109.02925	2.0
111.00889	3.2
113.02418	13.2
119.03522	10.1
125.02415	2.0
131.03485	26.3
135.04517	2.6
135.84221	2.2
143.03534	2.7
149.04559	33.8
161.04538	4.8
169.94548	1.9
173.04541	2.2
177.01944	2.0
179.05682	3.7
183.13879	4.4
191.05626	11.8
208.55141	1.9
211.13382	100.0
212.13567	3.4
244.24403	1.8
253.09261	11.7
309.20609	2.4
315.18109	3.7
345.22690	3.6
375.23688	2.6
378.67374	1.8
447.22375	52.5
448.22849	5.0
507.35291	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	506.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98832	100.0
69.85377	1.2
102.82288	1.2
117.50559	1.2
120.78312	1.3
472.01459	1.4
473.46710	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	506.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37932	1.1
59.01398	1.0
59.72548	1.1
61.98830	100.0
69.29610	1.0
70.39118	1.1
73.62103	1.1
96.78229	1.3
98.19910	4.3
162.10321	1.4
172.84312	1.1
199.51160	1.1
208.03090	1.4
216.81128	1.4
223.21701	1.1
373.35760	1.2
388.58890	1.1
400.71500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49247	3.6
57.03445	6.8
59.01383	100.0
61.98836	35.0
71.01382	52.0
71.52782	5.3
72.99313	5.0
73.02958	9.0
73.94437	4.6
82.60818	3.8
85.02949	15.0
86.31411	4.1
86.64619	4.4
87.00869	3.7
89.02448	69.5
90.60439	3.6
93.03514	4.4
95.01363	4.1
96.11958	3.7
96.95982	3.7
99.00916	5.6
101.02445	51.4
107.02826	4.6
111.55358	3.6
112.92623	4.2
113.02466	16.6
119.03512	8.9
131.03494	36.3
149.04536	54.2
161.04524	7.5
178.73891	4.4
191.05638	18.5
199.07639	8.6
258.00040	3.7
269.04514	10.4
278.99094	4.1
313.03513	7.7
332.55725	5.4
361.76984	4.4
445.07318	5.6
447.22217	35.3
507.35309	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	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.5
57.03436	4.6
58.00599	1.7
59.01381	30.4
61.98815	2.4
69.03445	0.9
71.01382	52.2
72.99300	3.4
73.02943	19.7
75.00851	1.0
83.01382	12.5
85.02952	29.1
85.60720	0.8
86.00097	1.9
87.00885	4.3
89.02454	10.3
92.07025	0.8
94.28595	0.9
95.01388	4.7
96.96034	0.9
97.02950	1.3
98.20660	2.2
99.00877	9.5
99.04475	0.9
101.02442	43.9
111.00883	6.1
113.02448	20.8
119.03511	4.1
125.02437	1.1
129.01950	1.7
131.03586	0.9
143.03476	2.7
143.04622	1.1
149.04556	0.8
159.02974	5.4
161.04555	16.6
171.51271	0.8
176.93527	0.9
202.37802	0.7
213.15038	1.7
313.23737	0.9
316.07959	0.9
325.23804	1.9
327.24942	1.0
343.24814	4.4
343.28540	7.1
475.32382	1.8
505.34348	100.0
506.34546	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	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.1
57.03438	5.2
58.00583	2.3
59.01381	40.1
63.41633	1.2
71.01385	69.7
71.52173	1.3
72.99291	3.7
73.02951	22.7
75.00877	1.5
83.01402	10.9
85.02955	27.4
87.00856	4.0
89.02447	16.4
95.01386	4.3
97.02958	2.4
99.00882	9.8
101.02448	54.1
103.58621	1.4
111.00881	4.9
113.02453	27.2
119.03513	10.4
125.02454	3.0
129.01932	1.9
143.03484	4.4
158.92532	1.4
159.02994	7.3
160.67560	1.8
161.04553	24.3
174.30074	1.2
179.05679	1.9
209.11826	13.7
247.24176	2.9
272.42404	1.4
325.27744	1.7
343.28558	12.0
475.32657	1.7
487.14102	1.5
489.48297	1.6
505.33844	100.0
506.34189	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	505.3017
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.82495	0.6
52.53329	0.6
52.73282	0.6
55.01869	1.1
55.29710	0.6
57.03426	2.1
58.00599	1.0
59.01107	1.0
59.01381	13.5
67.01859	0.7
71.01007	1.1
71.01380	17.2
72.99316	4.6
73.02931	1.6
75.00870	16.0
79.95734	0.8
83.01346	1.0
85.02946	23.9
86.15462	0.6
87.00874	6.6
89.02441	4.8
93.08951	0.6
95.01382	4.6
96.96021	1.2
97.02866	0.6
98.14922	0.6
99.00872	9.7
101.02470	0.7
102.89720	0.6
103.00357	2.5
105.57710	0.6
109.70185	0.6
111.00823	0.7
113.02448	30.1
115.00375	2.1
117.01923	1.7
129.01924	1.7
131.03511	1.1
157.01411	1.4
175.02480	3.5
175.03789	0.7
193.03459	0.9
205.07149	2.7
223.08252	1.0
249.06169	6.4
255.23289	76.4
256.23615	3.4
267.07236	5.9
426.41498	0.7
483.40366	0.7
487.28983	2.1
505.30148	100.0
506.30521	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	505.3017
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.57216	0.6
57.03450	2.0
59.01378	12.4
68.99816	1.0
69.03450	0.7
69.51672	0.7
71.01382	14.3
72.99323	5.4
73.02949	1.1
75.00876	17.6
79.95739	0.9
80.24098	0.7
83.01425	1.2
85.02948	16.0
87.00871	5.3
87.21509	0.9
89.02447	3.4
93.03465	0.8
95.01386	4.6
96.95987	1.0
99.00890	8.3
103.00391	1.9
113.02454	22.1
114.83773	0.7
115.00402	1.5
117.01955	2.4
120.71486	0.7
129.01910	1.8
138.18665	0.7
157.01447	0.8
175.02469	3.3
193.79860	0.7
215.96748	0.9
229.21844	0.9
231.05116	2.3
249.06146	17.4
255.23296	97.0
256.23627	6.1
261.33069	0.8
267.07184	2.6
286.13550	0.9
473.36252	2.9
485.14209	0.8
487.28937	3.6
505.30173	100.0
506.30420	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	505.2659
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01881	1.5
56.52952	0.7
56.79732	0.7
57.03437	2.4
58.00592	2.1
59.01379	46.2
61.98823	4.7
69.03463	2.0
69.31435	1.8
69.31847	4.0
71.01382	44.2
71.04966	0.7
72.01721	0.9
72.19658	0.8
72.99297	3.2
73.02954	13.0
75.00875	1.2
83.01386	5.1
85.02469	0.8
85.02956	15.1
87.00869	2.8
89.02444	35.7
90.96033	0.6
93.03452	0.7
95.01375	2.8
96.71517	0.7
97.02954	1.9
97.50456	0.7
99.00887	10.2
99.04482	0.7
101.02443	30.4
101.03111	1.6
105.74512	0.6
109.02979	0.8
111.00879	1.0
113.02451	16.5
115.04026	1.6
119.03488	8.9
125.02404	3.7
129.04434	0.8
131.03528	4.9
132.10652	0.8
135.04581	0.9
143.03506	2.4
149.04541	10.4
151.04100	0.7
156.90126	1.0
159.02965	2.6
161.04547	17.4
165.12816	0.8
173.04439	1.2
173.37195	0.7
179.05576	1.9
191.05669	3.7
211.17088	1.1
233.06651	2.6
293.08746	2.4
373.22290	27.3
374.22604	2.8
384.73236	0.8
461.22449	1.3
475.02951	0.9
505.26471	100.0
506.26907	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	505.2651
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
54.77857	0.2
55.01879	1.0
57.03435	1.2
58.00594	3.2
59.01379	80.6
60.01718	0.5
61.98828	1.4
69.03462	1.0
71.01382	70.0
71.52378	0.4
72.01724	0.7
72.99309	4.6
73.02945	9.9
73.03358	0.5
74.03267	0.3
75.00864	0.3
76.02553	0.2
76.30189	0.2
78.95940	0.3
81.03454	0.3
82.78414	0.2
83.01392	2.3
85.02953	9.3
86.00095	1.4
87.00878	8.7
88.40349	0.2
89.02445	100.0
90.02775	0.9
93.03480	0.5
95.01390	0.8
97.02956	0.6
99.00872	1.3
101.02442	46.7
102.02778	0.7
108.02207	0.3
109.02948	0.7
111.00891	0.6
112.98869	0.3
113.02454	11.9
115.00414	0.2
115.04042	0.3
119.03503	6.5
123.04517	0.5
123.24054	0.2
125.02443	3.3
131.03505	46.7
132.03853	0.8
133.02864	0.3
137.02469	0.4
143.03523	1.2
149.04553	81.5
150.04877	1.5
151.04025	0.5
158.92525	0.3
159.11740	0.3
160.25073	0.2
161.02472	0.4
161.04582	0.8
163.04054	0.3
173.04559	0.6
177.02011	0.4
179.05583	0.7
191.05609	23.3
192.06017	0.8
233.06564	0.3
243.02940	0.6
251.07716	1.3
255.02962	0.9
271.02481	2.4
271.05261	0.4
281.08780	0.4
289.07184	0.4
293.08585	0.5
300.02762	2.7
301.03476	0.9
311.09961	0.7
340.92245	0.3
364.73822	0.2
373.18707	0.5
407.07471	0.3
461.19516	0.3
490.18701	0.2
505.09421	1.9
505.26367	5.6
506.27240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.39407	0.7
53.01353	0.7
57.30270	0.7
59.01372	1.9
59.91309	0.7
61.60226	0.8
65.84151	0.6
70.93122	1.4
75.37550	0.7
78.95905	24.2
85.03351	0.8
96.96956	2.9
152.99588	38.8
168.53502	0.8
171.00661	2.5
224.73335	0.9
227.03238	5.9
245.04282	1.7
259.20749	0.8
277.21707	100.0
278.22046	6.7
303.62531	0.7
413.21188	0.9
505.25732	65.9
506.26022	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	505.2084
Annotation	Aviculin
Peak:m/z	Relative Intensity
57.03439	1.1
58.00603	0.7
59.01380	21.3
61.98832	1.5
63.85704	0.4
69.03448	1.3
69.51003	1.8
69.51426	1.3
71.01385	9.0
72.99301	1.5
73.02949	4.5
83.01416	0.8
85.02940	4.1
87.00884	1.4
87.04475	0.6
89.02447	5.0
91.01885	0.9
95.01361	0.6
98.19987	1.0
99.00858	1.0
101.02447	4.8
103.03976	0.7
108.02161	2.1
109.02946	12.5
113.02438	2.0
114.50449	0.5
119.03484	1.4
122.03766	0.5
123.04534	3.4
124.01666	0.5
125.02398	1.1
133.02939	0.8
137.02420	0.7
144.05836	0.7
149.04544	0.9
159.04518	7.3
161.04474	0.6
161.06068	0.5
171.04617	0.7
172.05333	3.6
172.16875	0.4
173.06065	4.5
173.43054	0.4
177.01834	0.8
185.06078	0.9
187.07657	3.8
188.08157	0.5
189.05591	3.7
190.06273	1.0
191.05539	0.7
191.07126	1.2
201.05508	0.6
203.07104	1.4
225.05551	0.7
240.04372	1.0
241.05048	7.5
242.05785	1.0
243.03239	0.5
255.02747	0.8
255.06720	2.7
265.08673	0.8
266.05859	0.6
267.06616	2.0
268.07291	0.6
269.08270	0.7
271.02460	1.0
279.06540	0.6
280.07278	2.2
281.08206	3.4
283.09808	1.1
293.08270	1.4
295.09760	8.1
296.10455	3.0
297.11218	0.5
298.04990	0.5
298.08356	1.0
299.05786	0.5
299.09207	1.9
300.02762	1.4
300.16394	0.6
301.03436	1.3
311.05731	1.1
311.09332	1.1
311.13019	0.7
312.09821	1.0
313.07391	0.8
313.10739	8.1
314.11121	0.9
326.11664	3.1
327.12186	1.3
329.10327	2.3
330.10992	0.6
341.06906	3.1
341.13849	4.8
343.11938	1.3
344.12634	16.0
345.13174	3.8
353.06793	0.6
359.14999	28.7
360.15250	2.4
371.07458	0.5
375.20117	0.6
377.59634	0.5
385.05615	1.3
445.15182	0.9
459.16406	1.3
461.20163	4.2
489.17758	0.6
490.18594	2.0
505.10379	3.0
505.20789	100.0
506.21066	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	505.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57834	2.6
57.03448	4.9
58.06300	2.6
59.01379	100.0
61.98832	11.8
71.01382	92.1
71.51936	2.6
72.99303	8.4
73.02935	5.2
75.00864	5.5
78.00938	3.0
83.01379	5.7
85.02950	18.2
87.00863	9.1
89.02445	72.1
91.01911	6.4
93.03465	11.4
97.02957	6.3
99.00896	4.7
101.02438	19.7
109.02934	5.4
113.02463	30.5
113.73167	3.1
115.03999	3.0
117.01993	3.1
121.02972	9.4
125.02435	17.3
125.03214	2.8
131.03529	17.9
135.04544	3.4
137.02415	9.0
148.80986	3.0
149.04552	30.2
151.04015	71.4
152.04381	4.1
161.02522	3.2
161.04575	3.1
173.04582	5.5
177.01910	4.0
179.03494	4.7
181.30014	3.0
191.05632	7.6
233.06802	5.4
233.62849	2.7
249.06187	5.3
252.08426	3.1
267.07227	43.5
293.08734	26.2
295.06046	3.6
461.19998	4.0
505.19339	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	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51419	0.5
59.01373	2.6
61.21461	0.4
70.37518	1.3
71.01384	4.7
78.95905	1.7
89.02448	1.7
93.03474	2.4
96.96017	0.6
97.13570	0.5
101.02446	1.2
108.02175	11.0
109.02950	19.5
113.02486	0.6
115.00368	7.4
119.03499	1.2
119.05041	1.0
121.02977	1.1
122.03748	4.1
123.04510	1.8
131.04968	0.5
133.06573	0.7
135.04546	4.1
136.85901	0.5
137.02412	1.1
145.06554	1.4
145.69760	0.6
147.04510	0.8
148.05217	0.6
149.00940	1.0
158.92561	1.8
161.06050	0.5
163.04015	0.6
173.04608	0.6
177.05533	0.7
179.03487	1.7
182.43286	0.5
191.05632	0.5
197.05994	0.5
213.09151	0.8
222.06787	0.7
225.05600	0.7
226.06351	24.5
227.07103	5.1
237.09180	1.0
240.08020	0.7
248.03548	0.6
253.08708	7.1
254.09068	0.7
255.10265	100.0
256.10617	5.2
299.09253	11.8
300.43597	0.5
389.12366	2.2
405.43729	0.6
407.38669	0.6
461.14798	1.1
505.13516	17.6
506.13739	1.2
512.28204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83442	0.7
59.01373	2.1
71.01388	15.3
78.95904	1.9
85.02965	1.0
89.02451	2.2
93.03457	2.8
96.95987	0.8
98.20662	1.7
101.02452	1.4
108.02176	11.1
109.02969	14.2
109.05318	0.7
110.23767	0.7
113.02454	1.3
115.00381	32.7
119.03462	0.8
119.05056	4.7
121.02982	1.1
122.03737	4.6
123.04555	1.3
133.06651	0.8
134.03734	2.5
135.04533	32.8
136.04890	1.1
137.02434	1.2
145.06508	0.9
147.04482	1.1
148.05307	3.4
149.06035	0.8
158.92581	3.2
163.04010	2.1
173.04561	0.8
179.03499	15.4
191.05655	0.7
226.06351	26.5
227.07133	19.8
237.09181	2.2
239.07091	1.0
239.10719	0.9
253.08691	8.3
254.09305	1.1
255.10271	100.0
256.10657	5.6
299.09235	15.1
343.08368	1.7
389.12436	3.9
391.00116	1.0
461.14771	1.9
505.13373	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	505.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19271	0.4
58.71729	0.4
59.01375	1.4
61.98822	0.6
69.02455	0.5
71.52479	0.6
121.02959	100.0
122.03266	2.4
132.79099	0.4
141.37730	0.5
152.51042	0.4
171.55104	0.5
180.05898	0.7
181.06598	3.5
182.33942	0.4
197.06055	2.3
207.04594	1.0
207.08243	0.6
223.04121	0.5
225.05554	2.9
238.35483	0.4
257.09811	0.9
301.08951	0.4
313.07214	5.3
314.07126	0.5
357.06125	0.9
373.10779	0.6
383.07852	1.4
417.09766	10.2
418.10172	1.2
505.11365	7.6
505.35364	1.7
506.11908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
62.96407	0.1
68.49269	0.1
70.58982	0.4
71.01401	0.1
76.42571	0.1
78.95904	22.1
83.05047	0.1
87.95851	0.1
96.96966	0.4
100.20847	0.1
102.99691	0.1
122.98565	0.3
134.98503	0.2
152.99577	3.8
168.04318	3.1
171.00621	0.2
175.93317	0.1
193.50203	0.1
224.06921	9.3
225.07217	0.2
227.03291	0.2
242.07994	2.2
261.22214	0.4
277.21716	2.9
279.23273	100.0
280.23615	6.7
353.29620	0.1
415.22409	0.2
504.30933	23.5
505.25510	1.8
505.31470	1.9
523.75330	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	504.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05566	0.4
59.01385	24.7
60.01712	2.1
61.01777	0.5
61.98835	100.0
71.08385	1.0
90.97176	0.4
111.26240	0.4
132.98230	0.5
156.22638	0.4
174.99269	5.8
175.99539	1.0
201.02563	3.2
202.02679	3.2
203.02295	4.6
203.98264	0.5
204.00017	6.9
204.02748	0.9
217.00305	20.9
218.00616	6.3
219.00490	1.5
219.97749	50.5
220.99796	2.0
278.58438	0.4
346.00638	0.6
359.01459	1.2
360.01715	6.0
361.01361	7.4
361.98676	18.6
362.99826	1.5
503.95349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38614	0.4
59.01365	2.2
59.68597	0.5
60.28747	0.5
61.98837	1.0
65.50339	0.5
68.99567	0.7
70.73168	1.4
71.01367	1.7
73.02934	0.8
73.04064	2.8
84.04531	0.7
89.02430	1.1
94.22024	0.5
98.02457	1.3
99.00820	0.5
99.05644	4.6
101.02456	0.5
101.03579	0.5
112.98534	1.1
113.02455	0.7
114.09238	0.5
122.02485	0.8
123.05650	0.5
127.05125	7.1
129.10323	0.9
130.03331	0.9
130.08742	35.6
131.09076	1.4
139.05139	0.9
139.08757	0.7
140.07167	2.1
141.06717	0.5
141.10355	1.0
143.11894	2.1
147.05995	2.0
151.08641	0.6
156.07771	2.7
158.02803	0.6
158.08183	1.9
166.06245	0.7
168.09021	5.9
168.11374	0.6
169.09789	2.2
171.05937	1.3
174.23959	0.5
175.05463	19.1
184.07278	0.6
187.05440	0.8
191.05449	0.5
199.18166	12.3
204.08112	7.5
214.06451	0.9
215.08768	0.5
221.16679	0.7
225.16132	3.6
232.07550	1.8
233.06026	0.7
239.12282	1.2
243.17070	6.3
256.20285	6.0
272.09119	0.6
282.18225	0.6
284.14499	0.6
300.19373	2.1
306.07458	0.6
328.13110	0.6
339.23926	1.1
341.06528	1.0
347.86847	0.5
369.22992	0.6
415.24152	0.5
431.23273	1.4
459.22806	100.0
460.23108	9.2
485.24429	1.2
503.09900	0.7
503.25330	14.9
503.32565	0.9
504.25317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03453	1.5
58.00587	3.0
59.01381	69.5
61.98829	6.6
69.03458	1.3
70.43213	2.7
71.01383	59.9
71.05016	1.0
71.64742	0.7
72.01729	1.1
72.99311	13.6
73.02555	1.3
73.02950	17.7
78.15838	0.7
82.64102	0.7
82.68202	0.8
83.01386	2.7
85.02953	10.3
87.00893	2.8
89.02447	100.0
95.01400	1.5
95.05055	1.5
97.02948	2.5
99.00880	28.2
101.02444	40.0
101.06086	1.8
102.02768	0.8
103.00369	0.7
109.02949	13.4
110.03284	0.7
113.02454	14.3
115.04031	1.2
119.03506	3.7
120.08190	1.7
121.02929	0.9
122.03767	0.9
123.04524	9.2
125.02432	6.4
128.03452	1.0
131.03510	18.4
135.04504	2.0
137.02420	1.5
143.03505	3.0
145.02916	0.9
149.04561	63.2
150.04892	0.8
151.04002	5.1
157.47096	0.8
159.02930	0.9
161.02458	1.2
161.04561	6.1
161.05959	1.7
164.07175	2.4
175.03975	0.9
177.01912	2.7
178.59438	0.7
187.03987	1.1
189.01973	4.5
190.02716	1.3
191.03735	1.6
191.05605	16.4
202.02676	0.8
203.03488	1.8
203.07130	2.1
205.05080	2.2
205.08659	1.0
207.10301	0.7
213.02003	0.8
214.64467	0.8
215.03482	5.1
217.01483	4.2
218.01959	1.0
219.02960	1.5
221.06575	1.7
231.02989	2.1
242.02182	3.9
243.02919	3.1
245.08105	3.1
247.06087	1.8
251.07637	2.4
255.03082	1.0
269.00916	3.1
274.01178	3.0
284.03320	1.9
289.07199	6.1
309.04083	3.0
317.54941	0.8
323.05609	1.9
325.14471	1.1
341.06564	10.4
342.07077	1.6
349.06796	1.4
351.04825	1.3
359.28076	1.4
367.08267	0.9
369.13370	17.4
370.13977	1.6
371.20630	2.9
379.04587	2.0
386.16208	5.7
393.06100	11.6
429.16559	3.7
461.08640	0.8
503.09824	39.7
503.25034	9.0
503.32208	5.2
504.10208	5.0
504.24734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.01871	3.5
57.03452	4.2
58.00594	1.6
59.01380	42.3
61.98829	0.7
68.99795	0.4
69.03115	0.4
69.03445	1.9
69.27129	2.4
69.27559	1.3
71.01383	57.2
72.01731	0.6
72.99310	2.6
73.02948	22.1
75.00890	2.0
75.80878	0.4
79.35986	0.4
81.03466	1.2
82.16569	0.4
83.01389	7.8
85.02949	23.6
86.00092	0.5
87.00883	3.8
89.02445	23.0
95.01376	3.8
95.01878	0.5
97.02948	3.8
99.00883	12.6
101.02444	42.2
103.00414	0.7
111.00879	1.2
112.98811	1.7
113.02451	19.7
115.04013	2.3
119.03500	2.9
119.05121	0.4
122.76101	0.4
125.02438	4.2
127.04058	0.4
129.01927	1.3
130.27567	0.4
131.03513	3.9
137.09743	0.8
143.03520	2.6
149.04552	5.0
149.09769	0.6
159.02986	3.5
161.04556	18.9
166.67543	0.4
179.05502	0.8
191.05573	2.0
196.73299	0.4
209.15468	6.3
233.06679	3.0
293.08698	2.8
310.11768	0.5
326.11627	0.9
341.13852	0.9
353.19977	0.6
355.11874	0.7
371.20721	51.7
372.21115	4.3
473.14987	0.6
503.25052	100.0
504.25394	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03452	4.2
58.00594	1.6
59.01380	42.3
61.98829	0.7
68.99795	0.4
69.03115	0.4
69.03445	1.9
69.27129	2.4
69.27559	1.3
71.01383	57.2
72.01731	0.6
72.99310	2.6
73.02948	22.1
75.00890	2.0
75.80878	0.4
79.35986	0.4
81.03466	1.2
82.16569	0.4
83.01389	7.8
85.02949	23.6
86.00092	0.5
87.00883	3.8
89.02445	23.0
95.01376	3.8
95.01878	0.5
97.02948	3.8
99.00883	12.6
101.02444	42.2
103.00414	0.7
111.00879	1.2
112.98811	1.7
113.02451	19.7
115.04013	2.3
119.03500	2.9
119.05121	0.4
122.76101	0.4
125.02438	4.2
127.04058	0.4
129.01927	1.3
130.27567	0.4
131.03513	3.9
137.09743	0.8
143.03520	2.6
149.04552	5.0
149.09769	0.6
159.02986	3.5
161.04556	18.9
166.67543	0.4
179.05502	0.8
191.05573	2.0
196.73299	0.4
209.15468	6.3
233.06679	3.0
293.08698	2.8
310.11768	0.5
326.11627	0.9
341.13852	0.9
353.19977	0.6
355.11874	0.7
371.20721	51.7
372.21115	4.3
473.14987	0.6
503.25052	100.0
504.25394	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	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02120	0.4
57.03445	1.2
58.00591	3.8
59.01379	100.0
61.98833	2.2
63.49270	0.6
69.03450	0.6
71.01382	44.0
71.05036	0.5
71.20605	0.8
72.99306	8.1
73.02950	8.3
75.00881	0.9
83.01396	2.1
84.99332	2.2
85.02950	7.2
86.00098	0.8
87.00874	16.8
89.02444	61.5
90.02759	0.8
95.01395	0.7
97.02988	0.6
99.00869	2.0
99.04500	0.6
101.02441	30.4
102.02806	0.6
103.00375	22.8
107.49590	0.5
109.02985	0.8
109.97620	0.4
110.68045	0.5
112.98814	43.8
113.02450	11.3
113.44233	0.5
113.99113	1.0
119.03508	4.2
125.02424	1.8
130.99863	8.4
131.03502	24.8
132.02983	0.8
143.03493	1.0
149.04553	43.2
150.04810	0.9
161.04590	3.7
173.04520	0.7
191.05615	12.0
209.15555	0.8
214.81837	0.5
249.06203	0.6
294.08929	0.5
295.10190	0.5
341.06418	0.8
371.20721	22.1
372.08121	0.5
372.21060	2.5
443.18939	0.7
503.21133	18.7
504.21448	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	503.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64645	0.9
57.03441	0.8
58.00592	3.2
59.01381	92.4
61.98830	3.2
69.03490	1.2
71.01384	73.2
71.52508	1.7
72.01747	0.9
72.99313	3.2
73.02940	8.7
73.15637	0.8
75.00899	1.3
81.03497	1.4
83.01408	2.5
85.02956	8.4
87.00874	6.2
89.02448	100.0
93.03475	1.8
95.01374	1.3
97.02969	1.8
99.00882	1.4
101.02441	34.0
109.02998	1.8
113.02452	12.5
115.04028	1.3
116.89968	1.0
119.03519	4.1
119.05006	1.3
125.02455	10.5
131.03506	30.9
134.03752	27.0
135.04488	1.6
137.60170	0.8
143.03526	1.0
147.67599	0.9
149.04549	58.0
149.06053	16.3
149.79230	1.0
161.02443	1.5
161.04620	1.7
165.09032	1.3
173.04564	7.8
173.05960	1.5
191.05627	14.9
203.10797	2.1
239.67253	1.0
267.10223	1.6
281.13675	1.1
281.18436	1.1
293.08826	14.5
297.11304	1.4
375.62250	1.0
503.11746	1.3
503.19397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
60.66722	0.1
61.98830	0.2
63.69813	0.1
71.01387	0.4
78.95906	24.6
83.05032	0.2
94.02152	0.1
96.96975	0.4
104.97517	0.2
105.18000	0.1
122.98597	0.1
127.07660	0.1
134.98497	0.3
152.99586	2.6
168.04324	3.4
224.06932	12.0
225.07326	0.2
233.22803	0.4
242.07997	2.7
259.20621	0.5
275.20166	0.3
277.21716	100.0
278.22061	6.5
320.72882	0.2
354.59222	0.1
381.95081	0.1
396.14703	0.2
413.21463	0.1
502.29416	24.4
503.29700	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	503.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95739	0.5
57.12184	0.5
59.01381	5.0
67.01910	0.7
71.05271	0.8
72.99311	10.7
76.39490	0.5
82.17982	0.5
87.00878	17.5
91.57803	0.5
93.03470	4.0
101.44157	0.5
103.00368	4.6
105.01934	1.5
111.04532	1.1
123.04493	0.7
130.99847	1.8
135.04520	10.0
137.02417	1.1
149.00917	100.0
150.01263	2.0
151.96725	0.6
153.05569	3.0
155.03474	0.8
173.04538	24.2
174.04890	1.0
177.45007	0.5
179.03493	1.2
191.05649	0.8
197.04590	2.0
329.05154	1.6
341.08829	1.6
353.08649	3.7
371.09845	7.3
503.10364	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	502.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
71.01365	0.2
71.52302	0.2
78.95908	6.7
83.05013	0.2
84.04604	0.2
122.82909	0.2
127.07674	0.3
152.99577	0.8
168.04294	1.5
173.80441	0.2
199.60277	0.2
224.06926	0.9
233.22678	0.5
242.07983	3.2
243.08246	0.2
259.20786	0.3
275.20074	0.3
277.21710	100.0
278.22058	6.6
378.54453	0.2
502.29388	6.5
503.29782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07087	0.4
55.68743	0.4
55.78372	0.4
59.01385	4.6
61.12161	0.4
61.98831	1.6
71.01384	6.8
72.00892	0.9
73.02959	0.6
75.00882	0.5
83.01350	1.0
85.02943	1.7
87.00881	0.5
88.04044	30.1
89.02452	1.5
99.00890	0.7
101.02442	1.7
109.02940	1.8
113.02457	1.2
114.01963	2.5
115.00375	9.5
119.03514	0.5
123.04517	1.7
125.02452	0.8
132.03030	100.0
133.03348	1.3
135.04521	0.7
147.98465	0.5
149.02432	0.5
151.04016	1.1
161.02399	0.8
161.04660	0.6
161.05998	0.6
168.10332	0.9
175.04070	0.6
205.05080	1.4
207.10362	0.5
211.88171	0.4
212.09366	1.3
217.08693	0.8
245.07973	0.7
247.06085	0.6
269.04874	0.5
289.07495	0.7
325.14197	0.5
369.13422	8.0
370.13794	1.8
371.20715	1.4
503.25168	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	502.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
59.01382	6.0
61.98820	1.8
64.10059	0.6
69.49659	4.2
71.01388	7.7
72.99288	0.8
73.02946	1.2
81.34301	0.8
83.01410	1.5
85.02949	1.7
87.00888	0.6
88.04042	30.9
89.02465	1.4
93.03446	0.7
95.01389	0.7
97.02953	1.0
99.00868	1.6
101.02442	3.0
108.03691	0.5
109.02948	2.7
113.02469	2.5
114.01963	2.4
115.00376	10.7
123.04523	2.1
125.02474	1.2
130.08755	0.8
131.04590	1.1
132.03030	100.0
133.03352	1.4
135.04523	0.7
149.02490	1.1
149.04523	0.8
151.03975	1.1
161.02580	0.7
161.04570	0.9
161.09703	0.8
163.03969	0.6
168.10306	1.3
187.43781	0.6
200.23366	0.6
203.03473	0.6
203.07153	1.1
203.09148	0.7
205.05067	1.3
205.08653	0.9
212.09367	1.2
217.08705	1.2
247.06042	0.9
300.00601	0.7
326.15021	0.9
369.13367	10.5
370.13766	7.9
370.96643	0.6
371.20776	2.4
503.25174	4.4
503.32007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	32.0
61.98832	19.2
71.01390	11.9
71.51909	3.2
71.52284	2.6
73.02941	5.5
74.11333	2.3
83.01382	2.6
85.02952	10.0
87.00887	4.2
89.02442	5.4
96.95997	2.9
101.02431	9.7
108.02177	9.4
109.02972	16.3
113.02435	9.2
113.06071	2.6
117.03542	2.8
119.03556	3.0
121.02969	2.7
123.04533	18.2
147.04585	3.2
151.04027	6.8
161.02426	2.9
175.03937	4.3
177.01918	24.5
177.26213	2.6
183.08801	3.0
187.03987	2.9
189.01936	55.0
190.02689	14.3
191.03477	13.4
203.03423	5.5
216.00662	6.9
217.01427	40.3
219.02965	14.5
231.03018	14.7
289.06989	3.1
297.07550	3.3
306.07751	3.9
323.05811	2.9
341.06638	86.6
342.06876	7.5
355.08206	7.8
465.11896	100.0
465.17651	3.4
466.12244	7.2
500.33035	4.4
501.30902	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.5
59.01379	63.0
61.98830	28.5
65.03163	1.2
69.03435	1.4
69.25949	1.0
69.77135	4.4
69.77544	2.3
71.01012	2.0
71.01384	30.7
72.99305	6.2
73.02937	4.3
74.47062	1.4
75.00874	18.4
81.03453	1.4
83.01383	2.3
83.05013	1.4
85.02953	30.2
87.00877	8.8
89.02444	11.9
94.74019	1.1
95.01403	7.9
96.95940	1.2
98.20605	1.3
99.00871	13.0
99.04519	3.2
99.11007	1.1
101.02458	7.2
103.00366	3.0
109.02941	2.0
111.00851	1.2
113.02451	35.1
114.02748	1.7
117.01956	2.5
119.03512	1.5
125.02410	1.3
127.87180	1.1
129.01958	1.7
131.03473	2.0
135.04536	6.4
149.04532	3.4
157.01419	1.2
161.04611	1.3
165.12862	4.8
175.02444	3.0
189.12871	2.5
191.10809	1.4
193.03488	3.4
193.06569	4.2
202.99899	9.3
205.07135	3.3
207.13922	9.0
209.11824	9.9
249.06158	11.7
251.12885	3.1
258.62308	1.1
267.07187	1.8
269.13907	4.2
299.76166	1.1
309.08203	5.6
330.66739	1.4
339.04926	4.8
439.19733	2.6
457.20746	13.5
479.85016	1.4
483.18826	6.3
501.10858	5.5
501.19739	100.0
501.31183	2.8
502.19965	10.4
528.79950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10162	0.3
54.46472	0.3
55.98814	0.3
56.76178	0.3
57.24568	0.3
59.01381	0.4
61.98832	100.0
69.34421	0.6
69.34835	1.9
71.79883	0.3
79.11739	0.3
79.12343	0.3
85.90950	0.3
120.98359	0.3
121.06734	0.3
123.51121	0.3
206.28270	0.3
206.85980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
61.98836	100.0
71.01394	0.9
71.52386	0.6
85.02957	0.6
89.02464	0.3
101.02483	0.5
109.02988	0.7
113.02488	0.6
135.04535	1.9
159.00888	0.3
202.99896	2.9
211.71857	0.3
242.36841	0.3
338.40158	0.3
339.05060	1.5
440.25433	0.3
500.33365	0.3
501.10730	2.0
501.19202	0.3
501.30701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	81.3
60.26331	0.5
61.98832	1.1
69.44653	3.8
72.99310	0.6
76.23979	0.6
90.97148	1.0
118.96622	0.6
132.98209	1.6
157.03578	3.2
165.91907	0.5
174.99232	22.8
190.57442	0.5
201.02536	32.1
202.02710	2.0
217.00279	100.0
218.00528	2.8
242.89201	0.5
292.96350	0.7
297.92929	0.5
343.03778	3.4
359.01443	59.8
360.01593	4.3
390.85303	0.6
497.76389	0.5
526.85364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01382	8.7
67.22361	0.4
68.99818	0.5
69.03463	0.4
70.02974	5.2
70.17305	1.9
71.01385	14.2
72.99302	1.4
73.02968	0.6
75.00874	6.5
77.26157	0.4
78.91224	0.4
81.21781	0.4
83.01425	0.5
85.02956	14.1
85.36059	0.4
86.02509	0.4
87.00871	5.7
88.04063	3.9
89.02444	3.9
91.82188	0.4
93.03478	1.1
95.01395	2.3
96.95999	0.6
96.99327	1.2
98.19954	0.5
99.00896	3.7
101.02486	0.9
103.00393	1.0
104.52458	0.5
105.43839	0.5
108.38401	0.4
111.04533	0.5
113.02458	22.0
114.01979	15.5
115.00369	2.5
117.01938	1.5
117.03474	2.9
119.05068	0.5
121.07665	0.5
122.52354	0.4
125.02388	0.6
128.03531	0.6
129.01958	0.8
131.03528	0.8
132.03046	5.0
134.06119	1.4
135.04520	0.9
147.02934	0.7
149.00940	0.8
149.04572	0.5
163.04042	0.6
173.04562	3.0
175.02473	1.5
179.03546	0.6
185.21909	0.4
188.07298	0.5
191.05664	1.2
192.05972	0.6
207.05103	0.9
225.05540	0.7
232.06075	3.0
240.07944	0.7
241.08849	0.7
249.06169	2.9
250.07294	2.3
254.07890	0.5
265.72141	0.5
267.07217	100.0
268.07605	4.7
272.09247	0.5
327.08725	1.0
365.07150	1.0
382.10056	1.0
403.13916	0.9
457.14600	0.5
500.14172	10.0
501.15714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05464	1.4
57.03449	94.8
59.01381	100.0
61.98820	3.0
69.48738	1.3
70.17357	2.8
70.17747	3.3
71.01383	3.7
73.78640	1.2
81.03477	1.9
85.02946	1.9
89.17541	1.3
99.04517	86.0
100.04829	1.5
101.02444	13.2
105.16602	1.3
116.74928	1.3
125.02450	37.4
143.03426	1.7
161.04576	2.7
199.10722	1.5
219.03612	1.4
269.10233	2.5
311.11420	1.5
448.13315	1.6
499.20844	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	499.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60861	1.1
57.95626	1.1
59.01384	5.7
61.98829	24.6
69.98344	4.0
71.01359	2.4
74.69670	1.2
84.24825	1.1
85.02960	1.9
89.02431	3.1
96.96011	1.4
100.75751	1.0
100.95713	1.0
101.02442	2.0
101.53877	1.2
102.35192	1.0
109.02939	1.2
109.17859	1.1
113.02439	1.6
121.84761	1.1
128.03413	1.7
132.29250	1.1
157.61700	1.0
165.12872	5.4
173.04541	1.3
174.08061	1.0
183.13892	98.0
184.14293	5.4
193.04988	1.4
209.11798	4.8
227.12900	6.0
301.16559	100.0
302.17004	5.1
302.19873	1.1
384.59241	1.3
410.60788	1.2
486.14145	1.5
499.19067	4.6
499.33542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
58.02988	0.8
59.01380	7.5
70.02993	5.8
71.01379	15.8
71.51056	1.5
72.99309	1.4
74.02480	2.6
75.00872	7.3
85.02951	14.4
87.00884	7.6
88.04042	3.8
89.02459	3.4
93.03475	5.4
94.03797	2.0
95.01390	2.2
99.00874	3.5
99.05663	1.9
103.00367	2.0
113.02453	20.3
114.01973	16.2
115.00356	2.5
117.01953	1.5
117.03442	2.4
119.05007	2.4
120.05309	1.5
126.12640	0.7
128.03545	4.0
129.01935	1.4
131.03560	1.0
132.03006	4.4
134.06110	1.4
140.05399	1.2
143.04620	5.4
149.00879	2.1
153.03571	0.8
162.89348	1.2
163.04013	1.8
164.04358	1.6
173.04559	6.9
179.04634	1.6
185.92638	0.9
191.05598	6.8
192.05963	1.8
205.06133	1.8
207.05095	1.3
210.08740	1.0
219.07697	1.6
232.06099	3.2
249.06221	2.8
250.07166	2.5
267.07208	100.0
268.07669	3.9
272.08890	1.8
309.50204	0.8
327.08514	1.9
382.09988	1.1
392.38461	1.1
457.13815	3.4
476.61948	0.9
483.15417	1.7
500.14410	21.6
501.16803	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
59.04260	0.4
69.79000	1.9
71.01379	1.0
81.03482	0.6
83.05046	0.8
87.00879	0.6
89.02461	0.6
93.03463	3.9
96.96001	0.4
100.96655	0.4
109.02921	0.5
110.56713	0.4
111.04530	2.4
119.05036	91.5
120.05351	2.9
129.01952	0.4
133.96762	0.4
137.02522	0.5
155.03511	2.8
161.02457	0.4
163.04019	100.0
164.04361	3.7
167.77162	0.5
173.04544	6.9
200.54121	0.5
205.03116	0.5
280.37885	0.5
286.59375	0.3
325.09305	11.6
326.09579	0.7
336.79388	0.4
337.09390	0.6
389.21677	0.4
403.94370	0.4
407.75967	0.4
499.07700	0.9
499.14691	17.9
500.14981	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	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71582	0.4
57.03446	0.8
59.01376	2.4
67.01881	4.0
69.03454	0.9
69.27337	0.8
69.27750	2.3
69.47014	0.4
71.01391	3.0
72.99304	0.4
81.03448	0.9
83.05013	1.0
84.54054	0.4
85.02927	0.7
87.00865	0.3
89.02437	0.7
93.03455	25.7
94.03815	0.4
99.11945	0.4
101.02434	0.5
109.02950	1.1
111.00871	0.9
111.04501	4.4
113.02400	0.5
119.05022	24.4
120.05356	0.5
127.04020	0.7
137.02446	3.7
155.03471	4.2
163.03998	25.1
164.04433	0.9
173.04541	100.0
174.04857	2.7
175.07596	0.5
186.03166	0.3
187.61794	0.3
191.05608	0.8
218.23317	0.4
324.83167	0.3
325.09238	1.7
325.90500	0.4
341.10864	1.6
372.68362	0.4
499.14511	4.4
500.14728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98805	0.5
69.16305	2.9
69.16743	1.6
71.01376	1.4
72.99294	0.5
75.00875	0.4
83.05014	0.9
85.02937	0.9
89.02478	0.8
93.03470	3.5
96.96030	1.6
98.20689	0.9
109.02949	0.9
111.04520	2.7
113.02466	0.6
118.69112	0.5
119.05030	82.3
120.05337	2.7
125.02438	0.6
129.01942	0.5
135.51379	0.5
137.02434	0.9
137.65291	0.4
138.13568	0.4
155.03491	2.4
159.97733	0.4
163.04015	100.0
164.04359	3.3
173.04556	8.3
175.07574	0.5
191.05626	1.5
205.05067	0.7
246.01323	0.5
292.21393	0.4
325.09225	4.8
431.94128	0.5
497.75620	0.5
499.14618	9.9
500.15479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04169	1.9
57.20334	1.8
59.01390	4.3
59.84687	1.7
61.98834	4.3
64.69781	1.8
65.00335	2.6
69.79662	8.6
81.03497	2.4
83.01359	2.2
91.66618	2.0
92.40656	2.0
93.03454	4.0
93.20632	2.1
97.02975	3.2
98.19925	3.7
101.46896	2.1
107.01396	3.5
109.02995	3.6
111.00894	6.7
111.04488	2.5
113.02499	1.8
119.04993	4.7
121.02956	4.9
123.04388	2.0
125.02444	8.5
137.02473	6.8
147.04489	2.4
149.02444	44.3
151.00354	6.3
151.04019	2.6
161.02492	2.6
163.00421	4.9
163.03986	3.6
165.01944	12.8
167.03461	3.9
173.04535	4.5
175.03963	2.2
177.01952	5.7
179.03589	2.8
183.26288	2.1
191.03542	5.1
193.01402	13.8
215.03503	3.7
222.04564	1.9
299.05594	3.5
301.03580	5.0
313.03546	3.1
315.04837	3.9
343.04553	100.0
344.04932	5.4
355.04340	3.0
373.05652	38.0
385.05673	2.7
427.06586	2.3
463.08765	62.5
464.09055	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	498.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78778	0.4
59.01380	1.5
61.98830	100.0
62.68926	0.4
70.75323	0.9
94.42617	0.4
104.69276	0.4
128.03500	0.4
132.95624	0.4
153.36331	0.4
206.84938	0.4
400.60214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98831	100.0
69.24541	1.0
69.24944	2.9
71.01384	0.7
81.94441	0.4
85.02895	0.4
89.02412	0.6
101.02471	0.5
122.60264	0.4
126.51717	0.4
203.35034	0.5
266.77396	0.4
332.45264	0.4
356.04349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28347	1.4
61.98830	100.0
62.08545	1.4
69.80434	2.7
69.80830	3.6
88.16937	1.5
106.12443	1.3
115.92059	3.0
116.92873	4.3
117.92863	2.4
186.12866	1.3
214.22566	1.3
262.01126	1.4
336.63571	1.2
379.62625	1.5
409.04123	1.4
433.97818	1.5
498.26007	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	498.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12698	0.5
59.01386	3.3
61.98835	100.0
62.24480	0.5
71.01380	1.3
73.02984	0.5
75.00880	0.5
82.92079	0.4
85.02956	0.6
89.34837	0.5
109.02985	0.8
113.02456	1.2
125.02388	0.5
125.05990	0.5
128.03606	0.6
143.04692	0.7
177.01996	0.5
189.01993	0.9
306.07590	0.9
426.84698	0.5
435.11292	0.8
497.27591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05684	0.2
54.15311	0.2
57.89724	0.1
59.84948	0.1
61.98834	100.0
69.40094	1.3
81.03480	0.5
81.34485	0.2
81.76589	0.2
83.01408	0.2
84.42043	0.2
89.12125	0.1
93.03466	0.5
93.06576	0.2
102.02757	0.1
119.05059	0.5
121.63224	0.2
123.04529	1.9
125.02448	1.2
151.00327	0.3
153.02180	0.2
167.03508	5.6
168.03941	0.2
177.01857	0.2
179.03539	0.5
273.07709	9.2
274.08121	0.6
309.94507	0.2
435.13055	1.4
486.75574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01382	2.1
61.98829	100.0
65.42992	0.3
67.03755	0.3
67.59054	0.3
68.21120	0.3
68.70867	0.3
71.01398	1.4
71.52462	0.4
72.99323	0.4
73.02941	0.6
74.02434	0.4
83.01389	0.4
85.02961	0.6
86.02426	0.4
89.02451	0.8
92.61906	0.3
93.03472	1.5
96.95978	0.3
97.02937	0.4
101.02489	0.7
109.02962	1.9
113.02460	0.6
123.04556	1.7
125.02457	2.4
128.03549	1.0
135.04498	0.6
138.21036	0.3
138.62978	0.3
143.04637	0.9
143.99124	0.6
145.02957	0.8
147.04582	0.5
151.04048	1.1
161.02428	0.9
173.04565	0.7
177.01953	1.9
189.01944	3.7
190.02661	1.3
191.03487	0.9
191.05603	0.6
203.03575	0.6
216.00703	0.6
217.01398	3.0
219.03072	1.0
231.03049	0.9
235.70717	0.3
253.09973	0.4
269.95273	0.4
289.07227	0.7
306.07541	0.5
311.05859	0.7
311.32083	0.3
331.28683	0.4
341.06647	9.8
342.06982	0.7
369.13092	0.4
435.10806	10.4
436.11307	0.8
454.19696	0.4
456.18198	0.5
487.13562	0.6
498.19574	0.7
499.19736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
61.98830	100.0
62.43100	0.3
69.32305	2.4
93.03472	0.8
94.98254	0.3
109.02956	1.8
123.04536	1.3
125.02457	0.3
128.03532	0.3
145.02983	0.7
147.04517	0.3
151.04031	0.7
161.02521	0.3
177.01976	2.1
177.03288	0.3
189.01904	3.8
190.02744	0.9
191.03522	1.3
203.03540	0.8
205.92891	0.3
216.00630	0.7
217.01431	3.2
218.02007	0.4
219.02977	1.5
231.03062	1.2
289.07208	0.6
311.05591	0.7
341.06644	11.8
342.06979	1.1
382.40567	0.3
435.10794	10.3
436.11395	1.3
469.38705	0.4
497.31708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
57.03443	2.9
58.03700	1.3
59.01378	49.7
61.98833	8.6
63.98779	1.3
65.77316	1.3
69.03436	1.8
69.39107	11.0
71.01382	36.9
72.99298	3.4
73.02950	17.3
83.01377	13.9
85.02944	22.4
87.00877	2.8
89.02441	4.0
89.87989	1.4
95.01366	3.1
98.19853	1.3
99.00907	7.4
99.04473	1.4
101.02441	45.9
103.03975	1.8
103.58936	1.3
111.00908	1.3
113.02437	18.5
125.24612	1.4
135.99826	1.2
143.03508	2.2
145.04962	1.8
149.06073	1.3
159.02985	3.9
161.04541	15.0
163.68245	1.3
169.82545	1.3
225.84943	1.4
291.18121	75.2
292.18439	3.4
437.23895	100.0
438.24115	9.5
497.20911	5.5
524.69537	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	495.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04807	42.1
70.57896	100.0
78.52732	42.5
108.79816	42.8
124.66399	51.4
132.82872	48.5
243.12973	41.8
333.02621	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	496.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58874	0.3
57.73222	0.3
59.01380	0.8
61.98829	100.0
69.40857	2.1
71.01389	0.5
89.02417	0.3
96.46939	0.3
96.64836	0.2
101.02482	0.4
123.04498	0.3
124.58050	0.3
173.06207	0.3
177.01938	0.3
189.01939	0.4
190.02499	0.4
191.31744	0.3
217.01314	0.4
225.39607	0.3
259.15588	0.6
260.15945	0.4
271.10413	0.4
272.11313	0.4
280.35757	0.4
341.06726	0.5
342.07077	1.1
410.26138	0.3
496.13544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19488	14.6
51.53286	15.4
59.01376	100.0
71.40939	26.9
81.64320	15.4
87.00883	18.2
87.77080	14.5
183.10297	22.4
299.80511	14.8
336.50095	14.5
345.73831	15.3
388.13998	15.0
435.15057	68.3
435.34604	32.1
481.87543	16.4
495.37186	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	495.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16228	6.3
61.98815	18.6
71.05042	6.6
78.73779	6.6
78.95890	62.6
79.27715	6.4
111.38167	6.2
127.74950	6.9
152.99577	100.0
154.28915	6.4
164.99826	7.8
167.17468	6.8
200.37233	6.6
224.12688	6.1
259.17081	7.4
267.23251	11.0
301.50580	6.8
353.74850	7.4
409.23624	46.8
495.27197	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	495.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04800	41.4
61.98838	64.8
65.16533	42.6
66.29513	43.4
72.64269	41.3
77.60114	41.8
88.35326	40.0
139.11336	57.8
165.73517	44.0
208.35410	48.1
227.09090	80.2
243.50163	46.8
435.33792	71.3
495.36905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49964	21.7
53.47041	22.6
56.02246	24.6
56.07436	26.8
61.53657	21.7
70.06341	100.0
74.48107	30.5
75.59382	23.1
75.89698	23.8
78.95925	43.1
91.78773	22.9
110.70177	24.3
118.05692	24.5
133.98053	28.8
152.99625	62.7
169.04568	23.9
218.41374	22.5
234.71159	24.8
321.70709	27.2
409.23462	35.5
435.34326	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	495.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.6
59.01380	100.0
59.75334	6.4
61.77221	6.9
61.98827	64.9
64.77705	5.6
67.60785	6.0
69.70060	37.9
71.01367	31.6
73.02951	7.2
78.87225	5.7
83.05008	6.4
83.76952	6.1
85.02950	8.2
87.04527	33.1
89.02460	20.7
93.03430	6.6
101.02440	19.4
103.04026	17.9
109.02995	10.8
123.04568	8.4
125.02465	13.9
135.00908	8.1
137.02385	10.5
149.04521	9.9
150.06831	16.6
163.46265	7.4
173.04581	9.6
293.08658	18.5
296.11475	7.2
363.23831	7.7
420.19269	9.1
431.26373	6.5
432.10492	8.3
435.22409	7.9
494.30328	7.7
495.19614	33.8
495.30414	10.0
495.36819	22.0
496.21069	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99981	7.7
59.01377	96.1
61.98833	100.0
71.01384	47.9
71.52036	16.1
83.01382	10.5
85.02953	10.0
87.04527	16.0
88.98807	9.3
89.02459	25.3
95.01426	10.4
101.02450	35.4
109.02975	17.3
113.02426	14.8
125.02481	13.4
135.04482	11.3
151.03986	15.1
151.71490	10.6
161.02473	9.9
177.01997	8.9
189.01891	27.5
341.06708	52.8
355.08444	9.2
420.19318	9.3
432.10022	15.8
435.22507	23.2
495.13461	16.5
495.20303	50.5
495.28729	23.9
496.20828	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	495.164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18892	5.7
57.03446	7.2
59.01380	100.0
59.11307	5.6
61.98831	78.7
67.69827	6.4
69.16140	6.3
71.01373	58.2
73.02945	19.2
85.02959	12.8
87.04512	19.9
89.02447	77.7
91.75033	5.6
93.03429	6.8
93.61415	5.7
97.02964	7.5
99.00874	18.2
101.02452	34.6
103.04005	34.7
109.02936	9.8
113.02422	19.0
121.02944	8.6
121.10257	11.5
123.04512	9.9
125.02438	28.4
131.03485	10.5
135.04477	7.7
137.02425	9.5
149.02489	6.6
149.04572	63.4
149.05638	7.7
149.06186	8.3
150.06854	21.4
161.02440	5.3
161.04486	13.1
163.00447	8.5
163.07622	7.2
165.09225	19.2
173.04541	11.8
179.10774	6.8
191.05586	10.5
233.06676	7.4
242.98470	6.8
252.80328	7.5
293.08817	60.2
311.09677	8.4
329.06403	43.4
348.59756	6.7
399.20401	6.8
432.10269	13.1
435.22449	13.7
495.19992	21.7
495.29837	21.5
495.36731	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	495.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66058	0.7
59.01373	6.0
61.98828	14.2
61.99115	0.8
62.97996	0.6
71.01407	2.4
71.52782	0.7
72.99329	0.7
73.02974	1.1
83.01382	0.7
85.02979	1.1
89.02458	1.9
93.03451	0.7
95.01431	0.9
95.05045	2.2
101.01868	0.8
101.02488	2.6
105.03510	0.9
108.21822	0.5
109.02950	18.5
113.02453	1.0
115.98803	0.6
117.03482	1.2
119.05060	0.7
121.02982	1.8
122.03772	1.0
123.00890	7.8
123.04515	14.6
125.02457	1.4
133.02940	3.3
135.00865	0.9
135.04521	1.0
137.02448	1.5
138.03236	11.9
139.03928	0.9
145.03011	2.2
147.04514	3.4
148.01694	0.9
149.02467	1.6
150.03249	1.7
151.04004	7.3
153.05565	4.6
159.04541	1.6
160.01768	0.7
161.02437	2.9
161.04633	0.7
161.06052	0.8
162.03207	0.8
163.04022	1.0
173.04625	1.2
175.00351	1.2
175.03989	1.5
176.01216	0.9
177.01929	24.9
178.02347	0.8
179.03481	0.8
179.07211	0.7
187.04012	2.3
189.01929	54.9
190.02678	14.8
191.03484	12.7
203.03511	6.5
205.05066	5.2
213.15024	1.1
216.00601	8.4
217.01405	39.3
218.02022	3.7
219.02965	14.2
229.08534	0.7
231.02943	11.1
232.03606	1.4
233.04442	0.7
271.06131	2.7
272.06650	0.7
273.20654	1.8
274.32184	0.8
281.04504	1.6
285.04007	1.9
289.07184	5.9
289.16516	1.4
297.07660	1.0
311.06577	1.0
323.05515	1.6
326.07092	1.2
331.08118	1.5
341.06628	100.0
342.07004	7.4
352.42755	0.7
355.08218	9.7
371.07718	6.3
372.07758	0.7
435.22437	2.6
495.12906	38.3
496.13428	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	495.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46437	1.3
57.51244	1.4
59.01381	4.4
61.98825	5.7
65.00322	10.2
69.74719	5.1
69.75140	2.7
71.01376	2.2
80.02682	1.6
80.78233	1.6
83.01398	4.3
83.07441	1.5
85.39831	1.5
94.64032	1.4
96.95992	2.0
107.01402	13.4
108.02168	8.2
113.02473	1.5
123.04369	1.9
125.02455	5.9
127.49214	1.6
133.02940	3.2
134.03685	8.6
135.04530	33.6
136.01613	8.0
147.04559	2.5
149.91035	1.5
151.00372	41.5
155.05072	3.0
160.01653	2.4
161.02484	4.0
161.06105	2.5
164.01163	10.8
174.03180	7.0
175.04019	7.0
176.04840	2.8
177.01880	2.2
179.03522	5.0
179.07149	2.7
185.06007	1.8
187.04021	3.1
189.05565	1.9
194.05829	3.0
196.00133	14.5
197.06039	3.2
198.03194	3.2
199.04002	22.5
200.04469	1.5
201.01877	5.8
209.08171	4.5
210.24388	1.6
213.05611	4.3
214.02722	1.7
215.03467	3.6
217.05052	4.4
229.05103	1.9
240.04288	1.7
241.05029	8.1
242.05888	1.7
257.04623	10.7
258.05215	3.1
285.04053	100.0
286.04697	20.2
287.05557	3.9
301.07126	4.6
308.39352	1.7
465.12079	8.6
477.12018	8.6
495.13095	16.0
496.13632	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	495.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21830	1.7
59.01384	2.8
61.98825	4.0
65.00323	10.3
71.06566	3.2
74.25631	1.5
80.02671	1.6
83.01387	5.2
87.45058	1.5
107.01392	17.6
108.02171	9.7
125.02447	6.4
134.03706	9.2
135.04529	41.2
136.01653	7.3
151.00371	48.5
155.05016	2.3
160.01608	1.6
161.02417	3.6
164.01117	12.8
171.04532	3.4
174.03207	8.6
175.03964	7.0
176.04741	2.0
177.01955	3.8
187.03986	3.2
189.05565	1.8
194.05884	2.6
196.00122	14.4
197.06064	3.5
198.03336	3.0
199.04004	26.6
201.01959	8.6
209.08212	5.9
213.05595	3.7
215.03499	6.8
217.05075	3.7
241.05031	7.2
242.05716	2.2
243.02838	1.8
257.04559	11.0
258.05566	2.2
275.52701	1.7
285.04047	100.0
286.04742	25.5
287.05344	2.4
301.06937	3.5
368.08542	1.8
465.11749	5.3
477.11871	4.6
495.13187	17.7
495.24820	1.8
496.13385	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.9
61.98832	53.9
69.63467	3.7
69.63871	3.8
71.01381	4.2
72.99296	1.4
77.03983	1.6
84.96991	1.3
85.02987	1.4
89.02430	1.8
101.02447	2.2
109.03012	1.6
117.03455	6.7
119.05029	1.5
121.02959	1.9
123.04508	1.7
135.04486	2.8
146.50200	1.5
149.02431	2.0
156.03923	1.3
159.04524	1.6
161.02457	2.3
163.04053	3.3
169.06436	1.5
177.01903	1.6
189.01846	1.5
220.44588	1.5
264.52045	1.3
268.03922	2.3
269.04370	2.1
275.52045	1.4
281.04453	2.8
282.05402	1.5
283.06107	36.6
283.09192	2.4
284.06491	2.9
311.05594	100.0
312.05994	6.4
323.05624	3.6
341.06622	12.5
383.50372	1.3
431.09790	43.3
432.10150	4.4
487.93851	1.4
493.30603	6.1
494.19370	1.5
494.30542	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	494.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	81.9
59.49148	3.0
60.01716	3.5
61.98835	50.2
71.01376	20.6
71.53388	3.3
83.01385	3.6
85.02964	6.6
87.00919	4.6
89.02465	7.7
101.02441	10.5
109.02937	4.1
113.02454	4.0
117.03448	6.5
123.04554	4.1
126.53054	2.8
135.04541	9.5
136.56252	3.6
137.87149	2.7
149.02277	3.1
154.23665	3.1
173.04543	6.5
189.01874	4.4
249.05957	3.0
275.67337	3.4
281.04645	4.0
283.06168	20.8
284.03250	41.6
284.06152	5.8
285.03989	28.0
311.05603	38.7
331.17395	2.9
332.25427	4.1
341.06644	10.3
374.22775	4.6
431.09796	100.0
432.10229	11.2
493.29895	22.1
494.11935	3.7
494.30548	10.5
495.32071	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	493.3895
Annotation	Ekeberin D2
Peak:m/z	Relative Intensity
61.98815	0.7
65.48473	0.4
67.04889	0.4
71.01369	1.2
71.39826	0.7
72.64632	0.4
73.02949	2.0
75.32652	0.5
78.95891	0.5
83.18026	0.5
88.12384	0.4
96.95981	0.6
211.10573	0.5
389.34567	0.9
417.33762	3.7
418.34406	0.8
447.34879	1.7
459.34747	0.7
461.36359	4.5
475.37918	3.2
493.39008	100.0
494.39404	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	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	28.4
70.05460	2.5
90.94463	2.3
117.03490	7.6
121.02937	3.3
125.63000	2.4
125.72595	2.5
136.01894	2.4
138.42769	2.6
149.02435	3.7
161.02408	3.3
163.03987	3.4
174.38373	2.2
227.67963	2.6
229.13112	3.5
240.18355	2.3
268.03827	2.9
283.06119	51.2
284.06561	6.2
293.04453	4.1
311.05609	72.4
312.05954	5.7
341.06674	7.0
375.45145	3.0
431.09787	100.0
432.10193	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	493.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45037	18.2
57.85144	17.5
69.75228	20.4
74.06133	17.4
76.58381	18.3
85.00739	19.0
86.00462	19.7
96.96019	45.0
170.53246	19.7
182.93590	18.9
452.91669	27.4
457.36896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55301	51.4
66.91476	45.6
71.51171	47.8
76.09992	47.1
87.93635	50.2
96.96001	58.1
186.50278	53.8
290.67310	60.4
290.70975	57.5
311.44891	64.8
455.35117	100.0
493.34528	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	493.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37621	60.6
61.98826	74.3
71.51828	100.0
71.52208	66.2
82.43532	61.2
96.96046	75.0
142.20692	60.2
209.07851	67.3
215.93474	68.1
350.77066	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	493.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07898	29.1
61.98821	31.1
62.30350	25.8
70.77970	35.0
70.78310	71.8
70.96728	27.5
75.90644	29.9
76.46947	40.6
95.00987	35.6
96.96017	62.9
112.62511	28.7
142.29414	32.3
154.02261	31.4
223.04013	27.7
283.77472	38.8
433.33273	37.8
457.36725	100.0
493.35214	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09740	27.2
53.70609	25.2
59.01352	29.5
60.22445	25.8
61.98809	38.6
69.95303	29.3
73.21468	26.8
91.50163	29.9
98.19888	100.0
100.21976	27.1
174.89957	27.6
177.45953	28.9
238.65207	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	493.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59109	46.8
54.62051	43.7
59.01377	100.0
71.50484	82.9
80.54903	48.2
90.91901	48.8
96.95996	55.6
104.46201	50.2
123.38776	57.1
131.34126	58.0
135.81206	45.8
137.86693	47.0
138.26556	57.9
146.27054	47.6
194.67438	51.6
471.32944	56.4
493.34399	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22878	72.3
70.85644	70.1
71.28139	78.0
85.13924	77.9
113.20860	80.5
319.90707	100.0
376.08713	78.0
464.09830	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	493.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
58.00583	2.3
58.99340	0.7
59.01379	47.6
61.98823	5.7
69.69566	2.4
69.69955	1.6
71.01380	31.1
72.01664	1.0
72.99302	3.1
73.02946	2.5
83.01367	1.5
85.02938	7.3
87.00885	1.5
89.02443	28.8
95.01381	3.3
96.96013	1.1
97.02944	0.9
101.02432	19.0
113.02445	12.7
118.36336	0.9
119.03489	10.9
122.13106	0.8
131.03542	0.9
143.03514	1.5
149.04579	1.2
152.03313	0.8
153.11136	0.8
161.04584	2.4
167.27731	0.7
169.57399	0.8
179.05614	2.5
199.07632	4.5
223.20833	0.8
267.23196	1.3
283.05994	1.4
285.24020	1.0
311.05658	1.7
313.23828	100.0
314.24069	5.7
331.24695	4.5
336.94092	0.9
351.61386	0.9
431.09998	1.1
493.30154	69.6
494.30536	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	493.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02546	6.1
54.68909	4.6
59.01381	88.7
61.98834	100.0
69.32016	48.0
71.01379	21.9
72.99311	8.5
73.02943	5.6
85.02944	6.5
89.02444	11.5
98.20697	12.9
101.02449	13.5
125.02455	8.0
181.98308	5.8
241.53238	6.1
268.03793	9.9
281.04562	6.6
293.08768	7.2
311.05646	8.3
361.16608	6.6
431.09683	19.8
443.22662	5.8
493.15051	12.1
493.22266	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
55.53684	0.9
57.03437	2.1
59.01383	49.7
61.98814	3.8
66.59814	0.9
68.99793	1.5
69.03461	1.5
69.48450	3.6
69.48880	3.0
69.55344	0.8
71.01386	10.9
72.99292	4.0
73.02940	2.3
75.00880	8.6
78.73808	1.1
80.27629	0.9
83.01410	0.9
85.02954	11.3
87.00861	2.6
89.02455	3.0
95.01370	2.1
97.02966	0.9
99.00892	8.0
101.02415	1.7
109.02975	1.6
113.02458	8.8
115.00311	2.2
117.01940	1.2
119.03493	0.9
120.96848	0.9
125.02398	1.2
135.04485	0.9
137.02431	1.2
139.11290	14.1
157.16809	1.0
163.11372	1.2
175.02423	1.9
181.12338	5.9
183.10255	13.5
184.10501	0.9
207.10208	1.2
225.11377	4.7
236.54399	0.9
243.12328	5.7
243.16066	1.5
249.06140	8.8
267.07224	0.9
283.06058	3.1
311.05573	6.1
317.16132	4.5
331.04565	1.3
431.09753	5.6
431.19107	1.7
433.17181	4.2
433.30579	1.1
467.21225	1.2
475.18362	4.8
493.19186	100.0
494.19693	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	493.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65121	0.8
56.17725	0.7
56.88396	0.7
59.22178	0.7
61.98829	1.9
63.02408	1.1
65.00321	2.4
69.17886	8.1
83.01396	1.5
96.95959	1.0
98.20804	1.2
107.01373	3.5
108.24039	0.8
121.02941	0.9
125.02420	0.8
132.02141	1.5
133.02942	14.4
137.02400	0.8
143.56746	0.8
149.02437	2.7
151.00381	9.2
161.02423	1.0
175.04047	2.9
183.04506	1.5
187.04022	1.4
198.03384	0.9
199.03981	4.0
201.01993	1.4
209.11755	1.5
211.03978	0.9
217.04994	1.6
227.03468	2.6
237.24522	0.7
248.76862	0.7
250.43665	0.8
253.14641	0.8
255.02977	55.8
256.03735	39.2
257.04269	3.2
267.02802	0.9
283.02472	75.3
284.03235	99.5
285.04010	100.0
286.04361	5.4
313.03464	1.8
326.04391	1.4
327.05328	0.9
475.10400	1.8
477.46289	0.8
493.11475	12.5
493.27859	0.8
494.11890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43015	13.2
57.59227	16.8
59.01369	59.7
61.01797	14.0
61.98825	100.0
71.50980	28.1
84.68345	15.2
88.69345	17.9
90.68205	14.6
97.73398	14.4
109.89297	15.4
138.95384	14.6
305.06790	16.2
306.53262	15.1
386.62262	17.5
433.33749	16.9
492.37796	32.7
493.39490	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00941	0.9
51.71959	1.0
55.01880	2.3
57.03453	3.7
58.00612	3.1
59.01383	100.0
60.06777	0.9
61.98846	4.4
69.03477	3.8
69.70309	2.9
69.70715	3.0
71.01385	43.7
71.01778	2.2
72.99326	4.0
73.02949	31.4
75.00893	3.1
75.53797	1.0
76.65265	1.0
77.49310	1.0
81.03502	1.9
83.01393	5.3
83.73208	1.0
85.02957	17.9
86.00120	1.8
86.04625	0.9
87.00877	12.3
87.01286	1.0
87.04542	4.1
89.02453	27.1
93.03469	2.3
95.01414	3.9
97.02985	3.7
97.06657	1.1
98.20630	1.7
99.00916	2.6
99.04540	2.2
99.41273	1.0
101.02453	43.7
101.03094	2.3
103.04021	17.4
103.04656	1.5
107.19952	1.0
109.02981	1.7
113.02459	10.3
115.03999	7.4
119.03515	10.6
123.04557	1.3
125.02473	6.6
127.04017	1.5
131.03535	12.0
135.04555	4.4
139.11301	12.9
141.02010	1.6
143.03497	12.0
145.05142	3.5
145.09938	1.1
147.10660	1.2
161.04619	3.0
163.06145	26.4
165.09319	2.4
167.10815	2.2
173.04504	5.0
177.01964	1.3
179.05643	2.5
183.10268	16.5
183.11612	1.2
191.05669	3.3
203.03563	2.3
205.07184	25.0
205.09001	1.5
207.49168	1.0
210.85609	1.0
247.08318	1.8
249.06194	2.0
265.09299	1.7
299.01953	1.2
329.06766	1.7
359.20999	2.7
371.20807	3.2
389.21835	1.6
431.23126	2.7
447.22812	1.3
491.21619	38.5
492.22052	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	491.2136
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
50.45515	1.3
57.03437	3.4
59.01379	35.0
61.98824	5.6
67.01885	2.8
68.99815	2.0
69.03447	1.9
71.01385	13.4
73.02940	2.3
85.02964	11.4
87.00890	5.6
89.02444	2.5
95.01379	4.0
101.02460	3.5
111.00864	2.6
111.08152	1.7
113.02446	12.0
124.16415	1.1
129.01927	1.7
151.00305	1.6
151.03949	1.7
152.07153	1.6
157.01442	1.4
158.17395	1.3
165.12831	14.7
183.13899	100.0
184.14221	2.2
189.04103	1.7
205.07220	1.6
209.11813	4.3
227.12933	7.5
249.06241	1.7
258.54242	1.5
263.07703	7.5
281.08786	5.2
289.69717	1.3
301.16507	4.7
318.28018	1.4
387.15823	1.3
415.19632	4.1
459.18805	7.5
473.19968	3.6
474.77856	1.4
491.21381	67.5
491.28238	4.7
492.21472	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	53.9
58.26163	2.1
59.01385	100.0
61.98825	5.2
69.05018	2.2
69.82197	11.5
71.01382	26.4
73.02952	7.0
75.62997	2.1
83.01371	2.7
85.02948	8.5
88.98817	2.9
89.02450	19.9
92.89426	2.1
95.01400	2.7
95.88961	2.3
99.00891	4.2
99.04522	61.3
101.02462	26.4
106.14796	2.5
113.02463	23.0
119.03501	9.4
121.03030	2.9
125.02460	29.8
129.22437	2.9
131.00352	2.3
131.57277	2.6
135.04466	2.7
143.03488	4.5
161.04584	6.8
175.02473	2.4
179.05597	7.1
195.06635	3.2
305.10828	2.5
329.16028	3.8
347.17032	16.2
357.14490	3.5
387.20160	7.5
389.18164	4.1
447.22372	4.9
466.93365	2.5
491.20764	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	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39169	1.3
57.03450	100.0
59.01378	88.3
61.32463	1.3
61.98828	22.6
69.16559	14.6
71.01382	11.4
71.36296	1.3
72.99300	1.6
73.02953	6.1
81.03447	5.7
83.01365	2.5
85.02964	4.9
87.00866	1.4
89.02455	4.0
95.01396	1.8
98.19947	2.8
98.47488	1.4
99.04519	91.8
101.02446	20.7
101.36639	1.3
109.02925	1.6
113.02486	6.7
123.04499	1.2
125.02452	32.8
129.82605	1.2
135.04515	16.4
137.02472	1.6
137.09554	1.5
143.03554	1.7
149.02560	1.5
151.03967	1.7
161.04637	3.1
179.03369	1.4
191.05602	2.8
203.07271	1.4
231.75522	1.6
241.14481	1.8
329.23288	2.8
369.13602	1.7
464.02942	1.5
469.77719	1.6
491.21521	2.7
491.28549	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	491.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75412	12.2
62.20375	10.7
69.34729	26.2
69.35138	71.2
72.99316	20.7
81.22934	11.3
87.00885	25.3
89.65962	11.6
90.32861	12.8
149.00885	100.0
160.31403	12.4
166.98045	10.6
169.11047	13.2
177.60014	10.3
372.74820	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
57.03432	0.9
59.01380	5.9
61.44963	0.2
61.98832	3.2
69.03432	0.2
69.76863	0.2
69.81126	0.2
70.74583	0.3
70.74915	0.3
71.01384	3.0
72.99306	0.3
73.02957	1.2
75.00878	0.2
81.03456	0.2
83.01408	0.7
85.02956	1.7
87.00877	0.5
89.02438	1.2
91.05502	0.3
93.03448	0.2
95.01385	0.4
97.02989	0.3
99.00900	0.6
99.04518	0.6
101.02448	2.7
103.03983	0.2
107.05035	0.4
108.02154	1.0
109.02948	0.9
113.02454	1.0
117.03490	0.4
123.48637	0.2
124.01678	0.4
125.02448	0.8
133.02997	0.2
134.03737	2.1
135.04527	100.0
136.01666	2.3
136.04854	2.9
139.03992	2.5
147.04547	0.5
150.03246	0.7
151.04005	7.4
152.04367	0.2
159.03044	0.3
161.04559	1.4
165.05537	2.1
179.10844	0.2
191.05592	0.2
197.11827	0.3
206.43184	0.2
271.10858	0.2
278.39944	0.2
282.11520	0.2
282.70834	0.2
287.09259	2.8
328.02307	0.4
329.23386	0.8
345.13300	0.3
431.26941	0.3
449.14645	0.4
449.27362	0.5
491.08496	0.4
491.14926	1.9
491.28305	4.0
492.09399	0.2
492.16196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76001	0.4
51.03918	0.4
57.03445	1.3
58.01897	0.4
59.01380	15.3
61.16792	0.4
61.98832	4.0
63.02403	1.4
65.00323	10.7
71.01383	3.4
71.52405	0.5
72.99293	0.4
73.02942	0.8
83.01397	3.7
85.02956	1.1
87.00859	1.0
87.04543	0.4
89.02444	1.3
94.23922	0.4
99.00858	0.5
99.04520	1.2
101.02428	2.1
103.00375	0.7
107.01394	17.8
108.02230	0.7
109.02959	1.7
113.02438	0.9
124.43067	0.5
125.02467	4.5
133.02986	0.6
134.03754	1.5
135.04527	69.2
136.04892	2.5
137.02443	0.6
138.77060	0.4
140.98537	0.5
149.00941	1.0
150.03175	0.4
151.00375	100.0
152.00729	3.1
153.27876	0.4
159.04469	0.8
159.62831	0.5
161.02451	1.4
161.04507	0.8
164.01244	0.5
167.05083	1.3
169.01469	0.6
177.01947	1.1
193.13463	0.4
196.00117	0.5
204.43208	0.4
285.03879	1.0
287.05612	69.4
288.05994	4.6
313.03607	0.9
329.06387	1.0
339.10907	1.2
359.24347	1.3
373.25845	0.8
431.10019	0.9
431.27115	0.5
447.26514	0.5
490.30893	0.7
491.11948	21.1
491.19077	1.0
491.28937	1.9
492.11774	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	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73674	0.8
56.48045	0.8
57.03438	1.2
58.00620	0.9
59.01380	63.6
60.01707	0.9
61.98831	11.9
71.01375	5.9
71.51875	1.3
71.81852	1.0
73.02945	1.7
79.05537	1.0
83.01373	1.2
85.02955	3.9
87.00881	2.0
89.02444	3.1
90.33987	0.9
97.06576	1.1
101.02444	3.8
107.01400	2.8
109.02934	1.2
113.02449	3.1
119.03493	1.1
125.02388	1.2
129.01956	1.5
130.08708	1.0
135.04526	14.9
139.00371	1.1
150.05652	0.9
151.00374	17.2
152.00879	1.0
160.01646	2.1
161.02412	2.0
161.04590	1.2
165.05522	1.0
165.22850	0.9
173.04547	1.2
174.31137	1.0
181.88525	1.0
183.13910	2.2
191.05560	1.9
195.10278	2.6
198.03265	1.9
200.01328	1.0
201.01968	0.9
202.02710	3.6
209.11603	1.1
214.02715	1.5
226.02756	8.2
227.03352	1.5
227.12891	7.5
242.02148	5.1
257.04636	1.3
263.07645	1.3
268.03824	1.4
270.01724	23.0
271.02429	4.6
274.01227	1.6
281.04507	3.8
282.05298	3.8
283.10089	1.0
284.03235	1.7
285.04044	66.8
286.04462	3.0
287.05573	12.6
297.04007	1.3
299.01987	9.9
299.05542	2.7
309.04089	4.8
311.05606	2.0
312.70718	1.0
313.03531	100.0
314.04156	18.7
315.04819	1.9
327.05035	9.2
328.05887	49.0
329.06635	72.2
330.07245	4.9
343.12009	1.3
359.24286	11.7
360.25006	1.2
371.07529	4.9
371.20740	2.2
381.05872	1.5
431.22961	1.6
447.25662	1.2
456.21185	1.2
461.18018	2.0
473.17712	1.7
491.11938	92.0
491.20926	7.1
491.28009	3.0
492.12195	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	490.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.4
59.01114	1.2
59.01384	19.5
61.98842	7.5
71.01376	2.8
72.99277	0.8
73.02940	1.1
81.03473	0.8
83.01383	2.9
85.02972	1.8
87.04506	1.0
89.02444	1.1
94.14206	0.8
95.05049	1.1
97.02947	5.4
98.19888	2.0
99.04532	3.1
101.02436	2.1
108.02157	1.5
109.02959	17.4
113.02441	2.1
117.03490	1.0
120.01256	10.1
121.02948	3.6
121.28866	0.9
122.03737	1.3
123.03639	1.0
123.04533	14.4
125.02449	2.7
133.02913	1.2
135.04533	1.9
137.02467	1.9
137.09708	1.0
139.04007	2.6
145.02960	1.5
146.03694	1.4
149.02466	5.3
150.03217	1.0
151.04004	7.0
161.02414	3.2
161.06116	3.8
161.09673	1.6
162.03227	2.7
162.70238	0.8
163.03966	2.0
163.07637	1.8
173.04524	1.0
175.04002	1.5
175.11276	1.4
176.01231	0.8
177.01949	1.2
187.03989	2.7
188.04768	1.6
189.01942	1.0
189.05463	2.0
196.04878	0.8
202.06367	1.0
203.03484	1.2
203.07167	5.9
205.05072	7.9
205.08769	6.1
207.10249	5.2
213.05579	1.0
217.08719	10.0
219.10284	2.5
222.74649	0.8
231.03088	1.3
245.08295	4.2
246.08975	1.9
247.06152	5.8
259.09793	2.3
269.17523	1.9
283.13248	1.5
289.07098	1.7
301.14511	2.3
325.14383	6.5
326.14566	0.9
342.06976	1.9
347.87042	1.0
369.13428	100.0
370.13803	9.0
452.10590	2.1
489.30396	0.9
490.31412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01723	0.6
61.98828	0.9
69.39645	3.8
69.61084	0.5
75.19728	0.6
87.67324	0.6
91.04022	1.0
96.96042	0.6
173.90254	0.6
188.02412	0.7
239.00528	0.6
355.32275	1.8
374.80981	0.6
383.58899	0.7
397.05106	0.6
431.34470	1.8
439.59637	0.6
489.38733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79942	0.7
59.01376	5.5
60.42438	0.6
61.98829	4.1
71.01390	1.3
81.03476	0.8
83.01393	3.4
85.43491	0.7
86.99386	0.7
89.02443	1.0
93.07113	0.9
95.01394	1.2
95.05019	1.3
97.02943	5.3
101.02442	1.0
102.50504	0.8
103.08966	0.8
108.02189	1.7
109.02957	18.2
112.32967	0.7
120.01241	9.1
121.02946	2.3
122.03685	0.9
123.04526	12.4
124.01653	0.8
125.02448	2.0
135.04530	2.0
137.02393	1.5
139.03999	2.4
143.04649	1.5
145.03027	0.8
146.03709	0.8
147.08153	1.1
149.02429	5.9
150.03122	0.9
151.04018	6.2
152.53560	0.8
159.04529	1.8
161.02402	3.0
161.06110	3.7
161.09633	1.8
162.03275	1.8
163.03990	1.7
163.07594	0.8
165.05637	0.8
175.03983	1.8
176.01143	0.8
177.05568	1.1
177.09163	1.0
187.03940	1.9
189.05548	1.8
190.02631	1.0
202.06421	1.0
203.03485	1.6
203.07121	4.3
205.05060	10.0
205.08681	6.5
207.10249	3.2
209.11784	2.2
213.05493	0.9
217.08653	10.3
219.10194	2.3
229.04999	1.1
230.05826	1.1
231.10103	0.8
244.07381	0.9
245.08183	3.2
246.08949	2.0
247.06105	3.9
247.09749	1.4
259.09695	2.4
272.08762	1.0
278.68973	0.7
283.13281	2.2
289.07147	3.7
301.14291	0.9
307.13129	0.9
325.14566	4.6
369.13400	100.0
370.13803	7.8
447.22147	1.1
457.74173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92197	1.5
52.67720	1.1
52.89241	1.5
54.12016	1.2
59.01381	100.0
69.29792	5.8
69.30209	5.4
75.12746	1.3
77.43293	1.3
81.47710	1.2
96.96043	2.0
105.46841	1.2
109.58150	1.2
133.34804	1.2
134.50479	1.3
135.60664	1.4
284.65656	1.4
355.32285	2.3
420.01636	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	489.3587
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
57.03461	3.6
57.87276	0.6
59.01374	1.9
61.98815	0.6
76.98763	0.5
83.05032	1.0
83.86174	0.5
89.09027	0.5
101.31387	0.7
109.06624	1.6
117.29208	0.6
123.08147	1.2
134.07381	0.8
158.16461	0.6
253.21727	2.5
295.57230	0.7
409.31119	2.4
411.32892	1.5
425.34186	10.3
426.34705	1.6
427.35788	29.6
428.36084	2.6
445.36948	17.8
446.36902	1.4
459.34827	1.6
471.34592	1.9
489.35870	100.0
490.36285	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	489.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60511	1.0
59.01381	100.0
61.98838	4.5
71.01379	7.8
71.52866	1.5
72.99312	1.2
73.02941	2.5
83.01380	2.4
85.02939	3.4
89.02443	2.6
93.03465	1.4
99.00937	2.0
101.02459	4.3
109.02962	6.6
113.02461	4.8
119.03529	1.2
123.04518	3.6
133.24480	1.1
151.04007	1.5
157.22360	1.0
161.02429	2.1
168.79785	1.1
177.01913	6.4
189.01956	7.9
190.02582	3.8
191.03490	2.1
203.03505	1.6
205.05103	1.4
209.11913	1.5
216.00661	2.2
217.01375	7.4
219.02919	2.5
225.15050	1.7
231.03009	1.8
281.04587	1.9
297.07864	1.2
327.04654	1.1
337.01144	1.4
341.06674	25.6
342.06921	2.3
343.07050	2.4
357.22787	2.1
369.14182	1.8
369.19168	14.6
387.20392	9.0
423.49582	1.2
429.21252	5.5
446.44012	1.1
451.10355	15.4
452.10611	1.4
453.10788	2.4
489.30316	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
65.05724	0.5
69.41058	3.5
71.01392	3.0
73.02948	1.5
74.75155	0.5
85.02929	1.1
87.58645	0.5
89.02474	1.6
101.02433	2.6
105.58545	0.5
113.02485	1.8
119.03527	0.6
122.53021	0.5
125.02470	0.6
133.02979	1.3
136.27095	0.5
138.06927	0.8
153.09264	2.1
163.06200	1.6
209.48735	0.6
225.14993	3.0
225.81027	0.5
265.77505	0.6
297.04214	0.6
299.05722	1.4
320.52344	0.6
327.05130	4.4
355.17249	0.6
357.06253	1.5
369.19211	4.9
387.20395	1.7
429.08554	0.6
429.21533	3.8
456.37149	0.6
489.22797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.3
59.01379	100.0
60.01711	1.0
61.98833	0.6
65.00354	0.5
71.01386	1.4
72.49473	0.3
73.02956	0.5
77.03969	0.4
79.01921	0.6
83.01407	0.7
85.02947	0.5
87.00900	0.3
89.02454	1.1
93.03453	0.4
97.02988	0.5
98.20667	0.6
98.95555	0.3
101.02434	0.8
105.03443	0.4
107.01396	0.7
108.02210	0.4
109.02941	2.0
113.02460	0.7
119.03505	0.4
119.05061	0.8
119.48846	0.3
121.02961	1.7
123.04510	0.5
125.02450	1.0
133.02957	11.4
135.00883	0.4
135.04565	1.5
137.02443	0.4
141.15959	0.3
145.03023	0.3
147.04524	0.8
149.02422	1.5
151.00346	0.4
151.04016	0.7
161.02440	0.9
163.00409	1.6
163.04051	2.4
165.01901	0.8
173.02411	0.5
175.04001	2.3
177.01903	0.6
183.79054	0.3
185.06065	0.4
191.03529	1.5
191.05496	0.3
193.01385	1.2
199.03987	0.9
201.01949	0.8
211.04007	0.6
212.04735	0.4
213.05602	0.8
225.05588	0.9
227.03426	0.6
240.04285	0.7
241.04955	1.1
243.02885	0.4
253.05040	0.8
255.03011	0.7
255.06743	0.6
256.03577	0.4
269.04517	1.1
281.04630	0.5
283.06204	0.4
284.03268	7.0
285.04013	4.4
297.04028	9.8
298.04758	5.6
299.05594	14.1
300.06009	0.8
309.03909	1.0
311.05484	1.9
324.02756	0.6
325.03546	0.6
327.05084	70.5
328.05447	5.0
339.05063	1.9
341.06583	0.7
357.06161	13.1
358.06415	0.9
369.06113	2.4
369.19241	0.4
387.20450	0.4
393.05981	1.1
429.08356	2.2
429.21512	0.7
445.20950	0.3
447.09283	0.7
489.10364	10.7
489.22275	0.6
490.10651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
59.01379	100.0
59.45673	0.6
60.01706	1.1
61.98838	3.9
69.30433	3.5
69.30857	2.5
70.45548	0.6
71.01387	5.8
73.02950	2.6
83.01411	1.3
85.02942	3.5
87.00890	0.9
88.98819	0.7
89.02457	3.4
97.02975	0.7
99.00912	0.7
101.02460	4.4
109.02959	3.4
113.02422	4.0
116.63817	0.7
119.05105	0.7
123.04559	1.2
125.02483	1.1
133.02988	1.2
135.04588	0.9
137.02467	0.8
138.06857	0.8
146.06158	1.2
151.04010	0.9
153.09232	3.7
154.91815	0.6
161.02448	0.8
161.04556	2.1
173.04530	0.8
177.01981	2.2
189.01958	2.6
190.02768	0.8
207.13896	0.8
217.01437	1.0
225.14977	13.0
225.17101	1.0
262.51981	0.7
265.34088	0.7
281.04794	0.8
297.07828	0.7
299.05759	2.4
327.05142	0.9
341.06635	5.1
342.07068	1.0
355.32047	0.8
369.19150	8.0
387.20251	6.5
424.12656	0.7
429.21558	8.0
445.20911	2.8
451.10590	1.8
489.08569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03452	3.4
58.00602	4.0
59.01383	92.9
61.98828	1.9
69.03449	2.1
69.24267	6.2
71.01385	93.6
72.01717	1.1
72.99305	6.1
73.02953	15.4
75.00892	1.1
76.75495	0.6
77.03954	0.7
81.03464	2.0
83.01397	6.5
83.05032	0.8
85.02953	21.3
86.00110	1.6
87.00877	10.7
89.02448	100.0
90.02779	0.8
93.03441	1.5
95.01397	2.7
96.96062	0.9
97.02950	3.9
98.19913	1.2
99.00884	5.6
101.02447	66.4
102.46577	0.6
103.00390	0.7
109.02982	1.7
111.00890	7.8
111.04580	0.6
112.98830	1.1
113.02457	21.7
115.03992	1.6
115.92111	0.7
119.03514	9.2
119.05019	5.8
121.02925	1.1
123.04537	0.7
125.02451	9.7
125.03318	0.8
131.03510	45.3
133.02972	1.3
135.04523	0.9
137.02449	1.8
139.04021	0.8
143.03526	5.6
149.04559	62.5
150.04897	1.3
151.04025	1.0
161.04567	12.8
163.04036	2.9
163.68875	0.7
165.39558	0.6
168.14223	0.7
173.04567	2.0
175.03909	1.1
176.98221	0.6
177.01930	0.7
177.09166	5.0
179.05588	4.3
187.49617	0.7
189.02043	0.7
191.05606	20.7
192.05966	1.0
195.10269	2.6
203.05730	0.8
205.05096	1.2
211.07736	1.0
215.05693	1.9
233.06664	7.6
239.10742	1.4
249.05969	0.8
251.07755	0.9
253.04779	0.8
293.08862	6.0
297.04105	1.3
298.04877	4.0
299.05530	0.9
311.05560	1.1
312.06201	1.7
313.07111	1.2
327.05099	2.4
339.05106	1.2
339.14304	3.6
341.06625	1.1
343.04730	0.8
357.10049	2.9
357.15601	16.6
358.15933	0.9
358.30588	0.8
369.06116	5.4
399.07233	2.5
408.97946	0.8
429.08432	1.0
466.49866	0.7
489.10785	8.5
489.19885	76.3
490.20358	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	489.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52664	1.2
59.01376	19.1
60.78202	1.2
61.98825	3.8
67.01896	1.2
71.01380	6.9
71.52746	1.6
72.99279	1.1
73.02930	1.7
74.02471	1.4
85.02961	2.7
87.00875	3.2
89.02430	1.6
93.40753	1.0
96.95998	3.8
98.95599	3.7
99.00884	3.3
99.92579	44.5
100.92690	1.1
100.93372	5.7
101.02429	2.0
111.00877	1.3
113.02431	2.2
115.92076	90.9
116.92178	4.9
116.92857	100.0
117.92876	3.6
123.04476	1.1
127.00358	4.3
128.03519	1.3
141.93636	1.8
142.94437	2.6
143.04610	2.1
157.01425	2.8
164.76997	0.9
170.93954	2.8
183.13821	2.2
184.95442	3.6
186.66869	1.0
205.17006	1.2
209.11758	2.3
212.94977	2.6
224.94995	1.7
225.14980	1.6
227.12817	3.1
242.96036	13.8
243.96585	2.4
260.97098	11.3
265.05112	2.6
279.03265	2.3
281.04861	5.6
282.05026	1.3
293.04822	3.3
297.04327	3.9
309.04294	12.6
310.05020	4.8
311.05945	12.6
312.06186	1.5
313.03796	1.8
321.03815	1.2
327.05350	4.7
327.21753	2.0
387.13852	1.4
427.10782	3.6
441.08704	2.3
453.08490	11.2
454.08887	1.7
472.10352	1.1
489.10684	18.6
489.26401	5.2
490.10818	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1039
Annotation	6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-glucoside
Peak:m/z	Relative Intensity
59.01381	39.6
60.93031	0.3
65.00350	0.5
71.01379	1.0
73.02948	0.7
77.03967	0.9
78.69263	0.3
79.01904	0.8
81.03480	0.4
83.01372	0.9
85.02955	0.4
89.02457	0.5
93.03457	0.7
97.02957	0.8
98.19854	0.7
101.02419	1.7
105.03475	0.9
107.01405	0.8
109.02963	2.7
113.02412	0.4
119.05039	1.1
121.02973	1.6
123.04575	0.5
125.02450	1.4
127.30112	0.4
133.02954	14.5
135.04539	1.8
147.04510	1.4
148.01704	0.7
149.02408	1.8
151.00322	0.8
151.04025	0.4
161.02414	1.4
161.04442	0.4
163.00407	1.8
163.04025	3.8
163.06123	1.1
165.01863	1.6
171.04485	0.5
173.02420	0.7
175.00386	0.6
175.03990	3.3
177.01970	0.7
187.03891	0.5
189.01962	0.5
191.03537	1.8
193.01399	1.3
198.03163	0.6
199.03984	1.7
199.07494	0.5
201.01921	2.5
203.03510	0.6
205.07097	0.3
209.06024	0.5
210.24724	0.3
211.04022	0.6
211.07698	0.5
212.04874	0.4
213.05611	1.2
215.03448	0.6
217.04961	0.6
225.05576	1.0
227.03613	0.5
227.07140	0.6
229.05145	0.5
231.06813	0.4
239.03448	0.4
240.04300	0.8
241.05045	1.2
242.02197	0.4
243.02917	0.6
253.05049	1.0
255.02844	0.8
255.06718	0.8
256.03751	0.5
269.04562	0.9
270.05417	0.5
271.06067	0.4
279.32651	0.3
281.04587	0.5
284.03268	9.6
285.04031	5.6
297.04047	13.4
298.04776	9.3
299.05591	19.6
300.05988	1.4
309.04013	1.9
311.05750	2.1
324.02884	0.6
325.03632	0.7
327.05081	100.0
328.05444	7.8
339.05032	2.8
341.06696	1.0
357.06149	17.2
358.06558	0.9
365.06555	0.5
369.06070	2.3
387.20203	0.5
393.06290	2.2
411.07123	0.7
429.08237	3.6
447.09494	1.1
489.10376	15.8
490.10672	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	489.1041
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01382	16.3
61.98824	0.8
63.02402	1.7
65.00319	1.1
67.99899	0.2
77.94545	0.2
83.01409	1.2
85.02970	0.3
93.03455	0.4
97.02995	0.2
98.20672	0.5
101.02457	0.7
105.03493	0.3
107.01403	3.5
109.02991	1.3
113.02454	0.6
121.02963	0.7
123.04524	0.4
125.02411	0.4
132.02191	0.6
133.02965	4.8
134.03807	1.4
135.04634	0.3
143.04654	0.4
145.03006	0.3
147.04515	0.3
148.01556	0.4
149.02415	1.4
149.99542	0.4
151.00383	5.5
151.04027	0.4
152.03488	0.3
159.04469	0.3
160.00716	0.3
161.02478	0.4
169.01389	0.3
171.04498	0.4
172.05260	0.3
175.04007	2.0
177.01913	0.7
181.55421	0.2
183.04530	0.6
184.05301	0.2
185.02499	0.2
185.06023	0.5
187.03928	0.5
188.04845	0.3
189.01959	1.4
190.05182	0.2
197.06084	0.5
198.03113	0.4
199.04025	2.1
200.04759	0.9
201.01994	0.5
211.04088	1.3
212.04759	0.4
213.05544	0.4
215.03464	0.5
216.04150	0.3
217.01392	0.8
217.04964	1.1
223.03894	0.3
225.15184	0.2
227.03458	2.6
228.04196	0.7
229.04892	0.3
231.02841	0.2
239.03477	0.7
240.04182	0.3
241.05042	0.7
243.02985	0.5
255.02954	2.0
256.03784	4.3
257.04605	0.3
267.02890	0.3
269.04828	0.2
283.02399	1.1
284.03262	79.7
285.04028	100.0
286.04352	4.9
297.04034	0.7
297.07736	0.7
299.05640	0.5
325.07117	0.8
327.05182	1.6
341.06613	2.4
364.16919	0.3
369.06204	0.4
369.19180	0.8
387.20285	0.5
447.09219	0.6
451.10364	0.9
455.16122	0.6
489.10361	89.6
490.10663	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	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52023	0.2
54.55594	0.2
59.01360	0.2
59.74131	0.2
61.50298	0.2
61.98809	0.3
69.92981	0.3
69.93394	0.7
70.63695	0.2
87.65803	0.2
95.05038	1.1
104.27003	0.2
113.06093	1.5
130.70023	0.2
145.49808	0.2
146.50400	0.2
185.47729	0.2
355.26471	0.6
373.27448	100.0
374.27789	9.1
415.68289	0.2
417.26410	1.9
469.33386	0.3
487.34305	9.5
488.34894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Yardenone
Peak:m/z	Relative Intensity
59.01368	0.6
61.98802	0.6
69.48215	1.6
69.48643	0.8
87.66831	0.4
150.23572	0.4
186.99307	0.4
192.14058	0.4
197.71420	0.4
373.27448	100.0
374.27802	9.8
390.53003	0.4
417.26401	1.9
469.33246	0.5
481.82498	0.4
487.34299	25.6
488.34637	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	0.6
61.98818	0.8
63.33783	0.7
67.12760	0.5
70.06364	3.1
80.54221	0.5
95.05038	0.8
98.20539	0.8
113.06034	2.5
121.24043	0.7
127.15344	0.6
160.07526	0.6
355.26343	1.2
373.27454	100.0
374.27762	9.1
417.26575	3.6
485.46628	0.7
487.34332	33.9
488.34650	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	487.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03446	6.2
59.01381	82.4
61.98830	1.1
63.15854	0.9
68.49192	0.9
68.97231	0.8
69.03423	1.0
69.36002	3.1
69.36427	4.4
71.01380	22.5
72.99302	1.4
73.02943	13.5
75.02135	0.9
83.01389	5.7
85.02945	8.2
87.00886	1.2
89.02448	7.7
95.01372	1.2
99.00896	2.1
99.04514	4.1
101.02443	20.6
109.02948	1.4
113.02459	10.8
119.03489	2.9
119.05074	0.9
123.08160	3.9
124.14224	0.8
125.02451	3.1
131.03493	1.0
135.04501	2.1
151.00357	5.0
158.28320	0.9
159.02959	1.5
161.04535	3.9
177.12840	5.7
195.13861	3.1
205.12219	1.4
218.07738	0.9
221.11778	3.3
223.13374	2.9
287.05627	6.1
314.54593	0.9
357.18958	2.0
401.18182	18.9
402.18417	1.6
416.38351	0.9
443.19196	100.0
444.19595	8.9
449.09909	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	487.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	12.8
69.16212	16.8
71.01392	3.5
71.56075	1.4
74.02482	26.5
79.24197	1.5
82.02977	3.2
86.02483	11.1
87.00885	2.1
87.05635	5.7
93.03480	2.2
97.04081	3.1
98.19927	3.1
99.05647	26.4
101.07205	5.5
102.05564	2.7
109.04079	4.9
109.07705	2.4
111.05610	3.0
115.00397	4.4
118.02831	1.7
119.05030	4.3
123.01493	9.5
123.05675	3.3
124.04030	2.0
125.03631	2.5
127.05121	4.2
128.03548	62.4
133.01457	9.8
135.04572	2.8
135.05646	7.9
137.07230	3.3
140.05392	5.9
141.06624	2.6
143.04633	81.8
145.06146	4.4
146.04582	11.7
152.05412	12.7
153.06728	3.5
155.08296	2.0
163.04033	2.7
166.09839	5.5
167.04593	4.2
167.08214	2.6
170.06413	2.9
173.04530	5.5
178.99519	1.8
179.04666	21.0
181.06200	1.9
185.05812	2.4
191.05602	3.1
192.07808	4.0
199.95261	1.9
209.10428	1.6
210.08842	19.7
214.05391	4.0
234.34729	1.9
254.07816	30.2
255.08188	2.3
272.08884	32.5
293.10281	1.9
296.10532	2.2
358.10840	2.1
400.03305	1.7
425.14868	11.8
439.12943	4.5
451.13147	3.1
457.13837	9.4
469.13947	34.7
470.13989	4.4
487.15067	100.0
488.15088	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.9
59.92731	0.7
61.98830	1.0
69.20318	4.9
69.20744	2.1
71.01377	6.0
72.99317	1.3
73.02950	2.3
80.96527	1.8
83.01397	0.8
85.02953	1.6
87.00885	2.8
89.02445	2.4
90.98598	2.4
95.01377	0.9
99.00905	3.0
101.02457	2.7
103.00356	3.8
107.17844	0.7
108.02204	0.7
109.02948	1.2
111.00877	1.1
112.98815	7.3
113.02425	1.3
117.03458	2.0
119.05055	3.0
121.02985	1.5
122.44166	0.7
123.04539	2.3
133.02974	0.9
134.03743	87.5
135.04045	2.0
136.01624	0.7
137.02432	9.2
139.03984	2.7
139.89687	0.7
145.03003	6.4
147.04532	0.8
149.00949	0.9
149.06081	38.6
150.06439	1.8
156.61490	0.8
160.01639	4.4
161.04601	1.1
163.03999	3.8
167.03506	3.7
172.33226	0.9
175.04002	9.5
176.04742	1.2
178.02713	36.9
178.96536	1.7
179.03261	1.0
184.04437	0.8
191.05550	1.2
191.07147	1.6
193.05049	77.1
194.05368	3.6
195.50546	0.8
203.77992	0.7
235.06174	3.3
311.06201	0.8
337.07819	1.7
355.10339	7.1
472.88406	0.9
487.14645	100.0
488.15039	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	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29103	0.4
56.37459	0.4
61.98820	0.5
70.36462	1.0
82.67698	0.4
86.05598	0.4
88.04047	53.5
96.96006	0.9
147.08168	2.3
149.09737	1.4
159.17996	0.4
160.08836	0.4
161.09694	1.5
163.11288	3.4
172.06194	0.4
187.11276	2.2
279.13818	1.0
280.14630	1.0
292.58459	0.4
307.17175	0.8
309.22217	2.7
322.19318	0.8
337.21732	100.0
338.22070	10.5
382.27704	0.7
399.37241	0.5
486.26901	11.7
487.27228	1.2
487.34061	0.9
511.27045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.7
59.01381	15.9
61.98825	1.8
71.01374	2.3
72.99318	4.1
84.15302	0.5
85.02944	0.9
87.00889	6.5
89.02429	1.2
93.03429	0.6
96.96014	2.8
96.96942	0.8
98.20649	1.5
99.00790	0.6
100.71490	0.7
101.02451	0.7
103.00385	3.8
103.00967	0.7
109.02983	1.4
112.98807	7.8
113.02473	0.9
115.00327	0.7
117.03523	0.8
119.05030	13.5
120.22298	0.7
121.02982	1.4
125.02435	0.6
128.03534	1.4
130.99881	1.1
133.01422	0.7
134.03751	30.3
135.04425	0.9
137.02454	4.3
139.04016	1.4
145.02963	2.5
148.99728	1.1
149.00920	17.9
149.04855	1.2
149.06082	12.4
150.03226	0.9
163.04018	10.6
164.04321	0.7
173.04552	1.0
177.01947	0.7
178.02718	21.5
193.05067	100.0
194.05438	3.9
206.02129	1.5
214.05280	0.9
215.62460	0.6
217.01416	2.5
229.38725	1.0
241.12009	0.8
269.08173	0.9
293.05435	0.6
355.10336	21.9
356.10684	0.9
367.06702	1.4
487.10797	2.1
487.15002	2.0
487.33911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42712	0.5
59.01381	1.4
61.98829	100.0
64.99268	0.5
65.54500	0.5
69.42801	1.3
69.43222	2.3
78.95879	0.7
88.29944	0.5
96.95997	2.9
96.96980	1.5
183.13974	1.0
227.12918	1.5
251.29080	0.6
280.03217	0.5
371.77454	0.5
426.23169	0.9
466.09128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98830	100.0
68.42643	0.3
69.42235	2.0
69.42654	0.6
71.01392	0.5
74.20345	0.3
79.96378	0.3
92.99022	0.3
100.98839	0.5
105.89991	0.3
121.02990	0.4
121.16882	0.3
124.07693	1.1
148.24948	0.3
163.16696	0.3
175.07640	0.6
178.91470	0.3
287.13986	2.5
288.14273	2.2
329.15067	0.4
330.15573	0.4
429.41083	0.3
450.19919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.0
61.98827	100.0
64.76888	3.6
69.15490	11.8
69.15901	28.1
71.01372	10.8
73.02951	5.6
83.01376	4.1
85.02944	5.0
89.02427	5.6
93.03396	4.1
96.95996	3.3
97.02932	3.8
98.19942	8.0
101.02413	6.3
109.02916	5.7
111.04544	4.4
113.02469	5.2
123.04493	4.9
135.04507	7.3
135.08104	5.9
161.02376	4.1
163.67487	3.6
173.04517	10.5
184.05321	3.7
213.14894	7.6
271.51407	3.9
285.03961	4.2
301.64960	4.1
327.05093	28.3
357.05878	10.3
424.66129	4.5
427.13736	6.3
447.09421	19.4
449.09698	4.3
485.21658	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	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03830	0.3
56.76161	0.3
59.01386	0.7
59.34124	0.3
59.57204	0.3
61.98831	100.0
69.42768	2.4
75.52039	0.3
85.72147	0.3
149.91853	0.3
153.80453	0.3
175.07695	0.6
177.56950	0.4
183.83383	0.3
191.45830	0.4
251.57840	0.4
287.14078	1.4
288.14474	1.3
344.55173	0.4
426.23373	0.5
450.19678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17012	0.2
59.01384	0.3
61.98831	100.0
62.29602	0.2
62.98536	0.2
63.73905	0.2
68.01979	0.2
69.52802	1.4
71.01381	0.2
74.46550	0.2
79.78292	0.2
164.97447	0.2
297.91467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19335	0.7
59.01376	26.3
63.77142	0.8
69.52129	3.6
69.52541	1.6
71.01016	1.5
71.01382	23.2
72.99287	1.6
73.02941	7.6
83.01374	3.1
85.02953	9.7
86.00101	1.3
87.00883	6.1
89.02444	11.5
95.01367	2.2
96.90112	0.9
98.19927	1.7
99.00858	2.4
101.01806	1.1
101.02442	15.9
108.28840	0.8
109.02985	1.3
113.02451	7.8
119.03484	3.6
125.02384	0.9
131.03499	5.3
135.04527	0.9
145.07622	1.0
160.06445	5.7
161.04550	6.3
161.07193	66.4
162.07619	2.2
165.05547	0.9
173.04543	3.2
175.08745	22.0
179.03497	1.0
179.05554	1.1
187.08775	5.2
189.06689	93.8
190.07037	3.5
203.08264	21.0
203.09914	0.5
204.08633	0.8
221.06653	8.3
229.09744	2.7
277.11966	1.6
289.07211	2.4
305.11429	15.3
306.11603	1.1
311.05719	0.9
323.12347	2.3
386.60883	0.9
457.18137	1.1
467.16693	1.8
485.17734	100.0
486.18124	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	485.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.4
62.83620	0.9
67.01898	2.8
69.32082	1.6
69.32485	7.9
71.01378	2.9
72.99314	10.0
85.02951	4.7
87.00885	20.0
92.62424	1.2
93.03462	25.5
96.96040	1.5
103.00391	5.7
105.01946	1.2
107.05048	1.5
111.04516	3.9
130.99857	1.6
133.02997	2.0
134.03725	2.9
135.04530	70.0
136.04849	2.1
137.02463	4.9
149.00923	94.0
155.03528	6.9
161.02489	4.1
173.04550	100.0
174.04834	2.3
179.03505	67.2
180.03828	3.3
191.05618	45.0
197.14607	1.2
218.02750	1.0
267.06720	1.6
311.05508	1.2
353.08771	66.9
354.09003	5.1
369.62329	1.2
396.79657	1.1
485.09991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72915	1.3
51.49253	1.3
58.30587	1.4
59.01389	2.2
60.64103	1.3
67.01892	3.5
69.29331	11.8
70.85202	1.4
71.01390	3.4
72.99320	1.8
85.02949	4.3
87.00882	3.9
92.11819	1.5
93.03464	22.0
98.20689	2.8
109.02930	2.3
111.04520	4.9
133.02966	9.5
134.03725	2.5
135.03493	3.2
135.04526	62.4
137.02419	4.4
141.93587	1.5
147.08046	1.4
149.00925	7.0
155.03516	4.9
161.02477	2.5
173.04546	100.0
174.04880	3.6
179.01886	2.8
179.03506	60.0
191.05608	54.5
192.05914	2.5
211.07678	1.8
221.05917	1.7
223.30580	1.6
250.06378	2.2
266.05875	2.7
267.06638	25.9
311.05637	10.0
353.08743	79.8
354.09018	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	485.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08347	0.6
52.50253	0.6
59.01376	3.7
61.98824	0.8
63.87338	0.6
67.01904	3.3
71.01378	3.9
72.41805	0.6
72.99306	1.0
81.03442	0.9
83.05027	1.4
85.02927	3.6
87.00877	1.0
88.30271	0.6
93.03458	24.5
99.91610	0.7
101.02436	1.1
107.05029	1.4
107.33868	0.8
109.02950	2.5
111.00907	1.5
111.04531	4.3
113.02470	1.4
127.04013	1.4
133.02969	3.8
134.03728	2.9
135.04526	68.8
136.04819	1.4
137.02429	6.3
149.00899	0.7
155.03525	6.4
161.02472	2.9
173.04541	100.0
174.04898	2.6
179.03488	68.3
180.03802	1.3
191.05611	48.1
192.05896	0.8
197.04544	1.5
206.46843	0.6
207.45692	0.8
241.37019	0.7
258.00467	0.6
267.06711	5.0
311.05688	2.3
323.06067	0.8
335.14151	0.7
353.08752	74.7
354.09143	4.5
372.97174	0.7
384.87723	0.7
485.18347	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	484.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	13.0
59.01362	7.3
61.98830	23.8
68.20415	2.5
71.01380	3.5
74.02485	25.4
78.95908	2.9
81.04559	3.3
86.02466	11.6
87.05638	4.1
97.04071	4.5
98.20753	4.0
99.05643	23.6
101.07190	3.6
109.04065	4.6
111.51418	2.4
112.56839	2.4
116.83934	2.9
125.03583	4.0
127.05108	5.2
128.03552	60.0
135.04556	2.6
135.05630	6.5
141.06673	4.3
143.04626	94.7
143.05766	5.6
145.06201	4.4
146.04596	10.1
153.06650	5.8
160.00764	25.6
161.62045	2.6
166.09837	2.6
167.04601	5.6
177.03392	8.4
179.04701	15.9
181.06146	2.6
197.05600	3.5
210.08774	18.1
254.07848	27.3
272.08850	44.9
285.04150	3.1
288.06583	17.3
297.03748	2.8
306.07663	100.0
307.07983	5.6
327.05121	5.7
328.05322	7.5
341.23398	2.2
358.06592	3.2
395.66934	2.5
447.09586	5.9
448.09589	12.3
453.37921	2.4
483.33240	4.5
484.33307	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	484.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	13.0
59.01362	7.3
61.98830	23.8
68.20415	2.5
71.01380	3.5
74.02485	25.4
78.95908	2.9
81.04559	3.3
86.02466	11.6
87.05638	4.1
97.04071	4.5
98.20753	4.0
99.05643	23.6
101.07190	3.6
109.04065	4.6
111.51418	2.4
112.56839	2.4
116.83934	2.9
125.03583	4.0
127.05108	5.2
128.03552	60.0
135.04556	2.6
135.05630	6.5
141.06673	4.3
143.04626	94.7
143.05766	5.6
145.06201	4.4
146.04596	10.1
153.06650	5.8
160.00764	25.6
161.62045	2.6
166.09837	2.6
167.04601	5.6
177.03392	8.4
179.04701	15.9
181.06146	2.6
197.05600	3.5
210.08774	18.1
254.07848	27.3
272.08850	44.9
285.04150	3.1
288.06583	17.3
297.03748	2.8
306.07663	100.0
307.07983	5.6
327.05121	5.7
328.05322	7.5
341.23398	2.2
358.06592	3.2
395.66934	2.5
447.09586	5.9
448.09589	12.3
453.37921	2.4
483.33240	4.5
484.33307	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44129	0.5
70.63512	1.0
70.63877	1.1
75.09179	0.6
78.95905	18.0
94.74057	0.6
96.96960	2.0
150.98006	0.8
152.99583	28.4
171.00664	0.9
179.10464	0.5
184.43706	0.5
196.84996	0.5
227.03244	3.5
245.04308	1.3
255.23294	100.0
256.23633	7.0
349.95538	0.5
391.22726	0.9
423.34665	0.6
447.09723	0.6
483.27298	50.6
484.27649	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26117	0.5
57.07480	0.4
78.95907	8.0
96.96951	0.8
132.01056	0.4
146.72226	0.4
152.99583	13.5
156.59483	0.4
171.00508	1.0
171.90709	0.4
227.03255	3.4
245.04227	1.0
255.23279	100.0
256.23618	5.9
284.59460	0.4
313.43329	0.4
337.45639	0.5
483.27283	26.0
484.27521	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	483.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95145	4.9
59.01379	100.0
61.98833	34.7
71.01385	68.4
73.02946	27.8
82.61584	4.9
83.50120	5.2
85.02969	13.7
89.02447	98.3
96.96017	5.5
97.54111	4.9
99.00892	26.5
101.02448	47.1
111.43414	4.9
113.02448	16.4
125.02431	14.2
129.02122	6.3
131.03503	22.9
133.02939	15.3
143.04573	7.0
149.04575	68.3
161.04492	7.8
173.04584	5.4
175.03996	7.9
191.05565	16.7
226.85017	5.9
260.46222	5.3
284.03342	10.0
285.03717	10.3
291.18234	10.9
297.04013	10.1
298.04755	10.6
299.05527	16.3
327.05017	87.1
328.05261	8.3
357.06104	25.6
412.98788	5.6
423.21857	5.5
447.09421	76.6
447.22467	28.5
448.09225	8.2
483.20419	27.2
483.33026	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	483.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00037	1.0
57.03428	1.9
59.01378	47.9
61.98813	3.9
69.03432	1.0
69.20371	9.5
71.01367	2.2
77.81567	1.0
81.03436	1.5
83.01384	3.6
93.03480	1.7
95.04983	1.5
97.02956	5.2
108.02167	1.3
109.02235	1.9
109.02946	32.3
110.03275	1.4
113.02383	0.9
114.14179	1.0
121.02937	3.4
123.04520	14.4
125.02451	13.2
133.02934	4.7
135.04535	2.4
137.02409	9.6
139.03979	3.5
146.03749	1.7
149.02457	5.6
151.03986	6.0
159.04492	3.6
161.02393	3.2
161.06053	4.1
162.03162	2.2
163.04033	1.5
164.01125	3.2
165.01855	4.3
167.03450	2.4
173.04564	1.3
175.03969	2.5
175.07631	1.7
177.01875	8.1
179.03476	5.7
185.06026	1.4
187.03929	6.6
188.04739	4.1
189.01906	9.3
189.05637	1.1
190.02695	2.4
191.03532	2.0
193.05077	8.2
203.03429	1.3
203.07133	12.2
205.04979	7.4
211.07585	1.2
216.00595	2.3
217.01402	3.9
219.02986	1.7
221.04405	1.5
221.08141	2.4
227.07066	2.9
231.02922	2.7
245.08133	15.0
247.06012	2.5
255.02814	1.0
281.04489	1.6
284.03122	5.1
285.04074	6.8
286.04022	1.3
289.07169	100.0
290.07458	5.6
295.14426	0.9
297.03894	2.6
297.07394	1.6
299.05484	5.3
307.25317	0.9
327.01453	1.5
327.05093	21.5
328.05179	2.4
341.06644	23.1
342.06894	2.4
357.06033	4.3
373.09244	5.1
423.17850	4.1
424.18118	1.1
447.09256	20.4
447.15317	1.4
448.09839	1.5
451.10129	2.1
456.96445	0.9
483.13205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82267	0.5
57.03437	2.0
59.01376	6.0
61.98829	3.9
62.96824	0.5
67.17547	0.5
69.03451	0.7
69.54573	1.3
69.54974	2.8
71.01374	0.7
78.95076	0.5
81.03449	2.3
83.01390	2.4
88.27203	0.5
91.01899	0.7
93.03446	1.3
95.01356	0.7
95.05031	2.0
97.02942	6.3
99.04513	0.8
107.04979	0.7
108.02146	0.9
109.02954	31.5
110.03345	0.6
119.05046	1.2
121.02961	3.1
122.03735	1.3
123.04528	15.2
125.02456	13.3
133.02951	3.4
135.04518	2.2
137.02455	8.7
138.03105	0.6
139.04004	3.1
145.02931	1.2
146.03735	1.1
147.04530	2.2
149.02449	4.3
150.03212	1.2
151.04015	9.2
159.04509	2.9
160.05247	1.7
161.02448	3.0
161.06061	5.7
162.03212	1.8
163.04034	1.4
164.01115	2.3
165.01912	3.6
166.02606	0.7
167.03502	1.2
173.04568	0.7
173.06068	1.2
174.03291	0.8
175.03992	2.3
175.07587	2.0
177.01926	6.6
177.05557	1.1
179.01123	0.6
179.03499	5.7
185.06053	1.1
186.67789	0.6
186.89880	0.6
187.03999	5.5
188.04817	3.0
189.01941	9.1
189.05392	0.9
190.02684	2.7
191.03496	2.2
191.05545	0.5
193.05054	8.1
196.28662	0.5
202.06339	1.9
203.03612	1.1
203.05402	0.9
203.07129	11.0
205.05049	8.2
212.04868	1.0
213.05557	0.8
216.00584	2.1
217.01418	5.3
219.03023	1.7
221.04594	1.0
221.08229	2.2
227.07140	2.0
229.05267	0.5
229.08612	0.5
230.05792	1.0
231.03003	2.2
245.08163	14.9
246.08418	1.4
247.06129	2.6
254.05786	0.7
255.06630	0.9
257.04404	0.7
271.05957	1.0
281.04556	1.7
284.03265	3.0
285.04044	5.0
289.07181	100.0
290.07507	7.0
297.04068	1.7
297.07724	2.2
299.05661	1.9
311.05685	0.6
327.05109	8.8
328.05539	1.0
331.08167	1.3
341.06677	24.7
342.07065	1.7
357.06235	2.4
373.09296	5.4
423.17691	0.6
445.49390	0.5
447.09332	12.9
448.09735	1.4
451.10428	2.4
483.13428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24670	0.8
56.86737	0.7
57.03448	2.0
57.16725	0.6
59.01384	4.7
60.07284	0.8
61.98835	14.5
69.03459	1.2
69.33841	1.5
69.34257	4.8
71.01385	2.5
73.02966	1.0
81.03451	1.8
83.01383	4.3
83.25401	0.7
85.02957	1.7
88.98788	0.7
89.02450	1.1
89.04008	0.7
91.05598	0.7
91.46458	0.6
93.03451	2.5
95.01392	0.7
95.05030	3.1
97.02955	6.3
99.04538	1.7
101.02437	1.5
102.03491	1.9
105.03467	0.9
108.02196	1.2
109.02961	34.9
110.03273	0.8
113.02447	1.3
114.05594	1.1
116.92864	0.8
119.05019	1.0
121.02951	4.5
122.03749	1.0
123.04534	16.4
124.04896	0.7
125.02451	16.1
131.03648	1.4
133.02975	4.5
135.04559	4.2
137.02469	9.2
139.04021	4.2
143.04639	1.1
145.03000	1.2
146.03773	1.6
147.04518	3.1
149.02464	6.2
150.03192	1.3
151.04016	9.7
158.02519	5.8
158.92633	0.9
159.04561	3.4
160.05276	1.1
161.02487	3.9
161.04845	0.8
161.06058	5.5
162.03255	1.9
163.00372	1.2
163.03987	1.6
164.01143	2.7
165.01942	5.0
165.05605	1.0
167.03513	1.9
173.04581	3.1
173.06007	1.0
175.04016	2.6
175.07648	2.5
176.03523	2.0
177.01964	8.5
179.03487	5.5
187.04089	5.8
188.04787	3.7
189.01941	11.0
190.02739	2.8
190.05096	9.7
191.03505	1.5
191.05669	1.0
193.05049	6.7
199.07768	1.0
201.05615	1.4
202.06363	2.1
203.03490	1.7
203.07127	10.6
204.07613	0.8
205.05074	8.7
216.00645	2.5
217.01433	4.9
217.05008	0.9
217.08711	0.7
219.02966	2.2
221.04581	1.7
221.08209	2.4
227.07172	2.8
228.55371	0.7
230.05962	1.0
231.02971	2.8
245.08192	16.0
246.08687	1.1
247.06143	1.6
255.02937	0.9
255.06546	0.9
271.06128	1.2
281.04684	2.5
284.03250	3.5
285.04074	4.9
285.17068	1.1
289.07199	100.0
290.07504	7.6
297.04086	6.7
297.07294	1.3
298.04776	2.1
299.05560	5.8
306.07687	1.4
311.05685	1.2
321.17148	0.8
327.05109	27.1
327.09030	1.4
328.05469	1.7
328.18796	0.8
331.08200	2.0
339.05325	0.8
341.06671	22.8
342.06882	2.0
357.06204	6.5
369.06207	1.3
369.13419	1.1
373.09363	6.0
374.09280	0.8
423.21512	3.3
447.09369	21.5
448.09604	1.9
451.10513	2.2
468.53525	0.8
483.13339	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	483.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.7
61.98538	0.9
61.98829	11.9
69.17390	2.2
69.17812	4.4
71.01369	1.8
75.00845	0.8
78.95911	1.8
80.47881	0.6
83.01398	1.2
85.02940	1.2
85.05148	0.7
89.02479	0.6
93.03457	2.0
96.96004	2.2
96.96954	2.3
97.02962	0.8
99.00845	0.8
101.02424	1.1
105.03445	0.8
105.94322	0.8
109.02946	5.0
112.98693	0.8
121.02943	1.6
123.04547	1.5
125.02425	3.1
128.03545	1.0
133.02953	10.8
134.03755	1.2
135.04518	2.7
137.02515	1.8
147.04547	1.0
149.02420	1.5
151.04005	2.0
161.02446	1.8
163.00345	2.4
163.03978	3.1
165.01923	1.8
173.04524	3.7
175.04027	3.1
177.01903	2.3
179.03450	1.5
190.02660	0.7
191.03531	2.0
191.05577	1.7
193.01472	0.9
199.03978	1.7
201.01869	0.9
203.03477	0.8
205.05084	1.4
225.05569	1.4
237.05464	0.8
240.04292	0.9
241.04980	1.0
243.02824	0.9
245.08195	0.9
253.04980	1.0
255.03030	1.0
269.04614	1.3
284.03271	9.2
285.04034	9.9
286.04443	1.0
289.07147	2.4
297.04059	19.5
298.04755	9.5
299.05637	16.4
300.05850	1.2
306.07968	0.7
309.04016	0.9
311.05603	3.5
324.02841	1.1
325.03442	1.9
327.05078	100.0
328.05408	7.1
339.05154	4.1
357.06137	40.9
358.06488	3.3
369.06073	4.3
393.06064	1.9
411.07635	0.7
447.09320	39.2
448.09775	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	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
59.22941	0.6
67.51035	0.5
69.26802	3.3
69.27208	1.4
72.56248	0.5
77.03975	0.6
81.03398	0.5
97.02898	0.6
109.02927	2.1
115.00285	0.6
119.05042	0.9
121.02942	2.0
125.02459	1.3
133.02953	11.7
134.03654	0.8
135.04506	1.2
147.04453	1.1
149.02412	2.0
151.03986	0.7
161.02364	1.6
163.00391	1.5
163.04028	2.8
164.01158	0.6
165.01947	1.0
175.04005	2.6
175.05362	0.6
177.01897	1.3
191.03465	1.8
193.01370	1.7
199.04047	1.0
201.01926	1.3
203.03369	1.0
213.05386	1.2
217.05006	0.7
227.03331	0.8
237.05472	0.6
239.03461	0.7
240.04198	0.9
241.05029	0.7
253.05098	1.7
255.06723	0.7
257.04480	0.8
269.04593	1.2
270.05606	0.6
281.04486	0.6
284.03259	8.5
285.03979	7.0
289.07047	0.7
292.08359	0.7
297.04037	15.9
298.04761	9.3
299.05573	19.7
300.05917	0.9
309.03970	0.9
311.05484	2.8
325.03369	1.2
327.05063	100.0
328.05444	8.2
337.07480	0.7
339.05112	3.6
341.06406	0.8
357.06143	23.7
358.06439	1.9
369.06128	3.0
393.06119	0.8
447.09293	73.8
448.09607	9.1
482.26965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	24.0
71.42623	14.2
72.30306	7.5
82.30700	7.1
105.27370	8.3
117.22838	8.1
125.02465	8.3
129.02614	8.2
300.40164	8.5
327.05176	14.4
346.36469	8.4
352.23965	8.7
353.24371	22.6
409.31149	15.1
410.31522	100.0
447.09207	10.4
482.33426	19.4
507.33966	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48261	0.8
78.95436	1.1
78.95904	43.9
96.96955	3.6
152.99583	55.4
171.00639	17.2
176.98364	0.9
227.03250	4.0
245.04300	100.0
246.04576	2.2
253.21713	60.2
254.22043	3.8
361.82993	0.8
481.25729	34.8
482.26425	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	481.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34499	1.4
54.81290	1.0
55.01868	5.1
56.85748	1.0
57.03449	5.5
58.00588	3.9
59.01377	86.8
60.40566	0.9
61.98820	1.6
62.53921	1.0
69.03427	1.3
69.26353	9.7
70.64311	0.9
71.01382	85.7
72.99301	8.4
73.02952	19.9
83.01384	12.4
85.02949	38.3
85.03463	1.8
87.00881	4.7
89.02443	55.7
92.57413	1.0
95.01384	6.0
97.02940	2.0
99.00903	6.3
101.02441	100.0
102.02819	2.0
109.01728	1.3
112.92246	0.9
113.02449	42.0
119.03493	26.0
125.02402	2.8
131.03510	2.9
143.03510	8.2
149.04581	2.4
159.02963	2.2
161.02515	1.4
161.04552	15.5
165.01952	1.7
179.05598	8.9
197.11783	1.9
210.15508	1.0
210.74696	1.2
250.79425	0.9
319.21228	46.7
320.21582	4.2
354.35541	1.1
429.57983	1.1
437.23270	1.5
476.24738	1.1
481.26605	72.8
482.26541	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09489	1.0
55.01881	1.3
57.03444	3.4
59.01382	36.5
61.98833	6.6
66.80485	1.0
69.43558	9.1
71.01388	28.3
72.99302	2.4
73.02956	10.4
75.00871	1.3
75.38997	1.1
83.01398	6.5
85.02953	12.7
87.00903	2.0
88.94513	1.1
89.02448	11.5
93.03450	1.4
99.00894	3.4
101.01801	1.5
101.02449	23.8
103.31299	1.1
109.02957	5.7
111.00879	2.6
113.02449	10.7
123.04548	3.1
125.02461	9.2
131.03506	6.6
135.04521	1.3
137.02428	1.8
147.04494	1.5
149.04514	2.1
151.04002	2.9
153.01955	2.8
161.02460	2.3
161.04578	6.1
173.04573	7.8
173.05859	1.5
175.03943	1.3
189.01849	2.2
191.03426	6.9
217.01347	1.7
254.54941	1.1
285.04153	1.3
289.07199	3.3
289.16565	17.7
290.16913	1.2
327.05167	2.9
345.05933	3.0
421.20798	100.0
422.21228	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	481.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35681	1.4
55.74747	1.3
57.03437	5.0
59.01382	16.0
61.98533	2.5
61.98833	33.1
69.03430	1.6
69.75531	8.6
71.01379	14.3
73.02950	4.1
81.03459	4.5
83.01385	9.8
83.05006	2.1
85.02941	6.0
85.36851	1.6
89.02444	6.1
93.03460	9.2
95.01374	3.9
95.05017	4.1
97.02968	14.4
98.19933	1.8
99.00854	2.1
101.02441	9.3
105.03489	1.6
107.05080	3.3
108.02217	2.7
109.02963	49.5
110.03307	2.6
111.00890	2.1
111.04464	1.5
117.03383	1.7
121.02976	12.4
122.03764	7.1
123.00878	2.0
123.04536	31.4
124.01651	3.3
124.07685	3.1
125.02432	18.8
131.03532	2.9
133.02968	4.5
134.03773	2.4
135.04504	7.0
136.04034	2.7
137.02452	29.5
138.03214	5.4
138.05635	2.6
138.59923	1.6
139.04037	18.5
145.02922	3.0
146.03772	3.0
147.04515	3.8
149.02455	30.1
150.03090	3.6
151.04022	27.9
153.05574	2.4
159.04486	6.7
160.05450	2.2
161.02419	8.9
161.04692	2.7
161.06050	11.9
162.03168	4.3
163.04022	10.5
164.01137	6.3
164.04799	18.8
165.01956	16.1
165.05511	2.9
173.04546	15.1
173.05917	2.8
174.03168	2.3
175.03969	6.1
175.07617	2.4
176.01071	1.7
177.01910	6.9
177.05559	6.1
178.02687	4.6
179.03487	10.1
179.07141	12.0
187.03998	8.6
188.04695	6.5
190.02734	3.0
191.03435	6.7
201.05527	5.7
202.06320	3.7
203.03488	2.8
203.07146	20.6
204.04039	1.8
205.05087	21.6
213.05533	5.4
215.07109	28.2
221.08176	3.6
227.07187	2.1
229.08694	2.3
231.03081	2.3
241.04845	1.9
244.07288	2.0
245.08142	16.6
246.08542	1.8
247.06076	2.7
257.08185	17.6
283.06064	1.9
283.19070	2.6
285.11389	1.7
287.13699	1.7
289.07199	100.0
289.16391	4.7
290.07489	6.4
291.87503	1.6
301.07187	52.9
302.07242	2.6
315.08755	14.0
317.10458	3.4
319.16733	3.0
327.08701	2.0
349.21790	2.4
402.34183	1.6
419.13309	2.4
421.20703	13.6
437.16006	4.1
481.14987	68.8
481.25543	3.3
482.15286	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	481.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35117	1.3
57.03430	3.9
59.01368	7.3
61.98830	20.2
69.03439	3.0
71.01369	3.9
71.52825	2.3
77.94147	1.4
78.95895	1.7
81.03439	3.7
83.01382	8.3
85.02940	2.5
87.00858	1.4
89.02434	2.5
93.03436	6.1
94.33254	1.4
95.01399	3.2
95.05011	6.5
97.02963	11.0
101.02435	3.8
105.03447	1.8
107.05005	2.7
108.02172	4.0
109.02948	55.7
109.60634	1.3
110.03284	1.6
113.02438	2.6
119.05038	2.9
119.65788	1.4
121.02969	13.4
122.03723	5.9
122.98548	2.2
123.00912	1.7
123.04521	38.4
124.01641	3.6
125.02451	32.8
126.02733	1.7
128.03482	1.6
133.02936	2.1
135.04544	10.1
137.02438	37.3
138.03194	5.6
139.04021	15.4
143.04727	2.0
144.94208	1.5
145.02936	2.9
146.03690	4.3
147.04497	4.1
149.02428	35.8
149.05972	1.5
150.03207	1.8
151.03999	30.8
153.05531	2.0
159.04504	7.1
160.05264	1.5
161.02446	11.8
161.04851	1.7
161.06075	9.9
162.03159	5.9
163.00374	1.4
163.04007	13.1
164.01128	5.1
164.04782	23.6
165.01933	17.7
165.05446	4.7
167.03467	3.5
173.04526	3.1
173.05931	2.2
175.03961	6.6
175.07610	4.3
176.01170	2.5
176.04619	1.7
177.01865	4.3
177.05539	5.1
178.02649	2.8
179.03491	11.7
179.07112	14.0
185.05963	2.3
187.03963	9.2
188.04787	6.8
190.02661	3.1
191.03499	10.1
201.05591	3.1
202.06291	3.6
203.03468	3.1
203.07127	22.9
205.03299	2.2
205.05069	24.0
213.05521	6.0
213.62410	1.6
215.07109	30.8
219.06583	1.6
221.08099	2.3
227.07011	3.9
228.04112	1.4
229.05072	1.7
229.08684	2.4
231.03014	3.5
245.08134	21.2
246.08334	1.5
247.05991	2.6
255.06544	2.4
257.08203	14.1
263.12878	1.7
270.08734	1.4
271.06052	2.5
271.09674	5.3
285.11334	2.2
289.07159	100.0
290.07556	7.4
301.03683	2.7
301.07150	55.8
302.07278	4.3
306.07446	1.9
315.08817	17.0
317.10248	3.5
329.10211	2.2
337.85214	1.3
371.11017	2.9
390.36349	1.4
418.16907	1.5
437.15878	3.9
481.14969	90.0
481.26160	3.4
482.15045	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	481.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
58.72855	0.5
59.01373	2.1
61.98840	0.8
69.20168	0.5
69.20517	4.7
71.01380	1.4
71.05017	7.9
75.00890	0.6
75.08431	0.5
83.01395	2.1
85.02979	0.9
89.02459	0.6
95.05035	2.4
97.02945	11.3
99.04526	0.5
101.02454	1.2
108.02209	0.6
109.02953	16.4
109.03698	0.8
121.02950	0.7
125.02442	1.3
135.04530	1.0
137.02460	2.4
139.04013	100.0
140.04356	2.7
153.01939	30.8
153.05501	0.8
154.02319	0.8
161.04565	0.7
163.04033	3.2
165.01918	10.5
165.04062	1.8
167.03549	2.2
175.07692	0.7
181.05046	0.5
183.03044	2.3
191.61150	0.4
197.04518	0.7
207.02896	0.9
207.56487	0.6
219.06506	0.6
219.77815	0.5
259.91672	0.5
327.07428	2.1
345.08249	39.0
346.08566	2.3
349.18640	0.7
361.05908	0.5
448.16394	0.5
481.18295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64490	0.6
54.41026	0.6
57.03442	1.0
59.01381	7.4
61.10212	0.6
61.98833	10.9
69.39706	0.7
71.01386	5.6
71.52322	1.1
72.99311	1.5
73.02954	1.7
75.00858	1.7
83.01384	1.6
85.02959	2.5
87.00870	1.5
89.02435	2.3
91.82956	0.6
93.03465	1.3
93.11973	0.8
95.01407	1.0
96.96019	0.9
97.02906	0.7
99.00870	1.4
101.02460	3.3
102.04711	0.6
103.05547	2.9
105.03464	0.8
108.02151	1.4
109.02955	33.8
110.03320	1.3
113.02467	1.9
115.35304	0.7
119.05051	2.3
121.03027	0.8
122.06142	1.6
123.04494	2.0
124.21017	0.6
125.02440	2.9
128.03535	0.9
135.04546	2.1
137.02405	1.5
138.05652	1.5
140.17471	0.6
147.04530	13.6
149.02448	7.7
151.03981	2.0
153.00706	1.3
153.01939	24.0
159.02911	0.7
161.02411	1.7
161.04544	1.2
163.04034	1.3
168.62286	0.6
173.04523	2.2
175.02454	1.7
175.03931	0.8
176.01244	1.0
177.01921	1.0
179.03497	0.8
187.07645	0.7
189.01947	13.7
191.03503	100.0
192.03857	3.8
217.01411	21.3
217.03557	1.1
218.01688	0.9
227.80634	0.6
231.12285	0.7
235.02480	11.8
255.02745	0.8
257.04532	0.9
285.04059	2.8
289.07193	1.3
289.11942	5.2
289.16583	1.1
327.05093	28.0
328.05496	2.0
331.08167	0.7
333.10812	3.3
345.06152	33.2
346.06528	2.3
356.15985	1.0
421.20706	2.3
481.19125	1.3
481.23947	1.2
481.30215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
59.38814	0.1
61.66528	0.1
71.50761	0.1
78.95906	19.2
96.96968	0.3
122.98555	0.1
123.39058	0.1
134.98515	0.1
152.99588	2.9
168.04305	3.0
194.05815	0.2
205.69009	0.1
224.06927	8.3
225.07271	0.2
237.22253	0.2
242.05727	0.1
242.08008	2.1
245.04324	0.3
253.21703	0.2
255.23293	100.0
256.23633	6.8
281.24765	0.1
282.25473	0.1
283.25546	0.4
391.22424	0.2
480.30945	23.4
481.24576	0.2
481.31351	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	479.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95650	2.4
59.01371	8.8
60.99305	10.9
61.88821	2.4
61.98830	5.8
66.22872	2.6
69.37159	21.0
70.39770	2.9
71.01368	10.2
72.99332	3.1
73.35090	2.6
74.10117	2.4
74.22466	2.9
79.43919	2.6
85.02923	4.6
88.98807	100.0
88.99354	5.0
101.02409	5.1
113.02425	3.9
148.90994	4.5
166.32314	2.7
183.13902	4.7
227.12779	6.2
271.21637	2.6
276.30179	2.6
277.83783	2.8
317.02567	6.8
479.20532	5.7
479.32666	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	479.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
57.03439	2.7
57.57323	0.6
58.00587	0.9
59.01380	23.7
61.98824	4.7
69.18835	1.6
69.19249	4.3
71.01381	39.5
72.99285	2.9
73.02550	1.0
73.02949	14.1
75.00865	1.3
80.09869	0.5
83.01389	7.4
85.02951	21.7
86.00085	1.2
87.00848	3.2
87.93329	0.6
89.02438	7.7
95.01379	3.5
97.02918	1.3
98.20591	1.2
99.00875	5.9
99.04514	0.8
101.02441	31.4
106.06607	6.4
109.02949	0.7
111.00896	5.1
113.02449	17.5
113.93384	0.6
119.03481	2.1
125.02453	1.2
129.01971	1.2
137.02435	0.7
137.61429	0.6
141.01884	0.9
143.03506	2.4
150.05600	2.5
159.02968	3.8
161.04543	12.4
164.07146	1.4
170.09811	0.7
173.04625	1.2
186.12894	3.8
203.07059	1.0
207.88010	0.7
211.13345	1.1
215.09482	0.8
226.07478	1.5
228.10333	1.0
230.11861	3.5
239.08220	1.3
244.13525	0.7
254.10515	1.8
255.11411	6.3
256.09689	1.0
269.04388	0.6
273.12485	1.5
274.10831	7.6
285.03879	0.9
299.10287	2.1
315.25531	1.0
316.11890	1.4
317.11417	5.1
317.26895	6.8
318.27347	0.8
341.11505	0.9
461.15289	1.4
479.17389	3.9
479.32245	100.0
480.32520	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	479.0829
Annotation	Telephioidin
Peak:m/z	Relative Intensity
57.03438	2.3
59.01389	9.5
61.98829	10.2
64.00060	1.7
67.31408	1.7
70.64473	4.4
71.01386	5.0
72.99316	3.1
78.51009	1.7
81.03481	1.8
83.01413	2.1
85.02937	3.0
86.37758	2.0
87.00869	2.8
89.02435	3.1
93.03472	1.9
95.01390	3.2
99.00867	2.4
101.02477	3.0
109.02946	4.3
113.02440	2.7
119.05015	2.2
120.01260	1.7
121.02953	7.9
123.00893	1.8
123.04508	3.5
125.02438	7.7
133.02979	2.4
135.00859	2.4
137.02455	5.8
139.04094	2.3
143.08864	1.7
143.23238	1.8
147.00871	2.4
149.02419	13.7
151.00345	2.8
151.04005	4.0
155.07108	1.7
161.02393	4.6
163.00349	7.5
163.04002	2.2
165.01930	5.8
167.03539	3.8
175.04025	2.7
177.01944	12.0
185.06198	2.3
190.99854	7.7
191.03453	3.4
193.01414	5.4
199.03918	2.4
204.39870	1.8
211.03899	1.9
213.05544	2.7
215.03456	2.3
216.00587	1.8
217.04950	2.3
223.58432	1.9
227.03506	2.9
228.04230	2.2
241.05043	2.2
242.02251	5.7
243.03000	5.0
255.02968	3.8
256.03851	10.7
257.04791	3.1
259.06128	2.9
271.02521	9.0
271.05823	2.0
273.03995	4.3
283.02460	5.3
284.03314	5.2
285.04135	8.0
287.09354	2.5
289.07114	6.3
295.02573	1.9
297.04071	5.6
299.02188	8.0
299.05191	1.9
311.01947	4.7
312.02747	5.5
313.03528	25.4
315.05222	12.0
317.10327	4.2
325.03497	3.9
327.05151	3.4
341.03000	65.9
342.03433	3.7
343.04602	15.8
344.05090	2.7
345.06155	4.1
353.02905	4.8
359.04150	16.1
371.04053	58.3
372.04410	7.1
383.03928	2.6
389.05057	6.0
398.59592	1.9
419.29910	2.1
433.75372	1.9
443.06168	10.6
461.07297	100.0
462.07672	10.5
479.08267	58.8
479.17422	12.3
480.08594	6.1
480.17099	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	478.2937
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
57.45835	0.3
57.46160	0.3
59.01376	0.4
69.85654	1.2
71.21532	0.3
78.95906	100.0
81.80928	0.3
95.71900	0.3
96.96963	9.2
140.01181	0.5
142.38641	0.4
152.99596	17.7
153.99918	0.5
171.00644	19.4
172.00981	0.3
404.25616	1.5
478.29376	62.8
479.29703	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	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47118	0.3
53.48622	0.3
59.01376	0.4
78.95907	5.2
87.02396	0.3
91.02941	0.3
116.34729	0.3
140.01199	2.0
152.99525	0.5
193.46107	0.3
196.03764	0.9
210.96526	0.6
214.04880	2.4
261.61743	0.3
281.24850	100.0
282.25171	8.8
350.44122	0.3
399.83224	0.3
478.29425	7.9
478.35947	0.5
479.29837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
57.77594	0.5
59.01380	6.2
61.98832	10.4
62.54399	0.5
66.03336	0.5
69.03458	1.1
69.84580	0.6
71.01389	3.7
71.52438	0.9
73.02920	0.7
78.64987	0.6
81.03460	2.0
83.01377	4.2
83.05007	0.6
85.02959	1.4
89.02447	1.8
93.03462	1.4
95.01379	1.1
95.05027	2.4
96.63384	0.5
97.02958	6.1
99.00844	0.9
99.04520	1.4
101.02442	1.5
106.36414	0.6
109.02950	17.6
109.03693	0.9
111.36960	0.6
113.02435	1.6
116.05047	4.0
119.04992	0.7
121.02979	3.7
122.03716	0.8
123.04530	13.0
125.02447	14.2
131.03471	0.9
133.02977	0.7
135.04564	3.0
136.45827	0.6
137.02446	8.1
138.03134	1.0
139.04018	3.9
145.02982	1.2
146.03743	1.2
147.04506	1.4
147.50621	0.5
149.02452	8.0
150.03151	0.9
151.04002	6.6
156.08154	1.0
157.81422	0.5
158.02266	0.6
159.03322	0.7
159.04539	2.6
161.02437	2.0
161.04729	1.0
161.06055	5.5
162.03217	1.9
163.04001	1.9
164.01131	2.6
165.01906	4.2
167.03526	2.2
168.08177	2.1
174.03268	0.7
175.04007	2.8
175.07593	0.9
177.05479	0.8
179.03496	5.1
187.04028	3.3
188.04730	2.6
199.07727	1.0
202.06351	1.4
203.03473	0.8
203.07137	12.4
204.07484	0.5
205.05042	8.3
208.74980	0.6
212.04726	0.7
215.07111	0.8
217.05023	0.7
221.08208	2.5
227.07094	2.0
228.13206	0.9
229.05000	0.9
231.02866	1.0
245.08173	15.8
246.08479	1.5
247.06032	3.1
271.06259	0.7
289.07181	100.0
290.07547	6.2
299.08936	0.9
331.08292	5.4
343.08176	0.8
361.09341	6.9
478.14236	4.5
478.19385	1.3
479.15457	1.0
479.24420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.6
59.01377	5.3
61.98831	100.0
62.21548	0.7
63.93966	0.7
65.93485	0.8
67.37656	0.8
69.31577	7.5
71.01379	2.9
74.02461	1.7
85.02934	1.7
99.04539	1.9
101.02435	2.8
141.06712	1.5
143.04596	1.2
185.05653	1.6
197.11790	1.0
266.12204	0.9
292.91367	0.9
408.19601	0.9
455.33905	0.8
479.32056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.7
59.01378	5.4
61.98830	100.0
71.01383	5.6
71.51756	0.8
71.52155	0.9
72.45767	0.6
72.99301	0.7
73.02943	2.1
75.00877	0.8
85.02955	3.4
87.00850	0.9
89.02463	1.7
93.03473	1.2
99.00854	1.0
101.02438	4.6
106.06673	0.9
108.99010	0.7
109.03014	1.0
113.02451	2.2
137.02481	0.6
143.03499	0.6
173.04559	1.2
243.16075	0.8
274.10922	1.2
280.27188	0.6
317.26834	1.0
345.26651	1.2
479.32153	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	477.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.24836	9.1
69.27641	1.0
85.09429	0.9
97.29841	0.9
220.24001	0.9
242.46976	1.0
275.75018	1.1
419.34991	1.5
477.31052	4.3
477.38483	9.9
497.21939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22783	0.9
57.03432	1.4
59.01375	11.7
64.03653	1.1
68.99802	1.1
70.44863	4.1
71.01380	17.6
72.99305	7.7
73.02943	1.9
75.00874	12.3
76.34193	1.1
80.05054	3.3
85.02952	13.8
87.00883	5.9
89.02420	4.8
92.05048	3.3
94.06622	11.8
95.01369	2.7
96.96023	2.0
97.02978	0.9
99.00877	7.4
107.03758	1.3
109.02982	1.4
110.06107	1.4
111.00884	1.2
113.02455	16.9
114.02774	1.2
114.68719	1.1
115.00400	1.6
117.01939	1.9
122.06124	64.3
123.06470	1.6
124.04029	4.2
129.01935	1.5
154.21951	1.1
166.05090	64.1
167.05449	1.5
168.02931	1.5
175.02408	2.4
184.06158	18.0
206.02560	1.1
210.04163	2.3
228.05118	4.3
231.05063	2.6
240.08688	1.3
248.58006	1.1
249.06142	30.9
250.06502	1.6
267.07208	5.9
290.56802	1.0
374.10794	1.8
416.12057	12.6
418.09839	6.2
434.13022	31.7
434.18875	1.9
435.13321	1.8
460.11017	13.5
478.12003	100.0
479.12479	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	62.3
59.50030	1.9
66.19040	2.0
69.44836	8.9
69.45245	4.6
70.15955	2.4
78.95908	100.0
86.56335	2.1
96.96028	3.3
96.96967	9.6
131.92717	2.1
152.99614	18.1
171.00658	17.4
196.74017	2.0
226.06210	1.8
281.24899	13.9
478.29401	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	62.3
59.50030	1.9
66.19040	2.0
69.44836	8.9
69.45245	4.6
70.15955	2.4
78.95908	100.0
86.56335	2.1
96.96028	3.3
96.96967	9.6
131.92717	2.1
152.99614	18.1
171.00658	17.4
196.74017	2.0
226.06210	1.8
281.24899	13.9
478.29401	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32838	0.5
55.01880	0.7
57.03452	4.3
58.92677	0.5
59.01386	17.8
59.61555	0.6
60.01709	0.6
61.98836	8.5
67.01901	0.9
68.99828	1.3
69.03462	1.4
69.45020	1.3
69.45419	3.8
71.01006	1.0
71.01390	15.3
72.99310	6.1
73.02949	2.2
75.00880	13.4
81.03461	1.1
83.01387	1.5
83.05073	0.6
85.02958	15.6
87.00891	4.7
89.02443	4.8
93.03477	0.8
95.01409	3.9
97.06587	4.6
99.00885	6.9
99.04543	0.6
101.02455	2.0
103.00381	2.3
109.02978	1.3
111.00887	0.7
111.04460	0.8
111.08170	1.0
113.02459	19.9
114.92424	0.6
115.00371	1.3
117.01926	3.0
125.02458	1.9
129.01935	1.5
131.03383	0.6
135.04520	1.1
136.12599	0.5
139.00374	0.6
145.02945	0.9
149.04663	0.8
149.09608	0.7
158.91763	0.6
163.11307	0.8
165.11461	0.6
165.12860	14.1
175.02510	2.9
183.13918	15.5
205.07129	1.0
209.11873	4.3
227.12901	41.6
228.13258	2.3
229.01674	0.6
231.05110	1.9
249.06166	19.8
250.06378	0.9
267.07254	5.9
271.02386	1.0
299.02216	0.9
325.08636	0.6
345.22845	1.6
417.17456	0.7
459.18857	3.6
477.19788	100.0
478.20151	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	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37542	0.7
55.01883	1.6
55.73120	0.6
56.96243	0.8
57.03454	6.9
59.01381	20.3
61.98589	0.6
61.98828	7.8
69.03436	3.2
69.54013	5.1
71.01385	11.4
71.05010	2.7
72.00883	1.4
72.99301	1.9
73.02932	2.6
73.45157	0.6
74.02478	6.6
75.00855	1.9
76.93459	0.6
77.03837	0.6
81.03461	1.1
83.01373	1.9
83.05016	1.0
85.02959	5.7
87.00871	2.7
89.02439	5.1
95.01411	1.7
97.02936	1.5
99.00862	2.1
99.04516	3.8
101.02453	8.9
104.03542	8.8
105.03850	1.3
109.02943	4.3
111.08233	0.7
113.02468	6.4
119.03512	1.9
121.02949	0.8
123.04527	1.7
123.08176	0.8
125.02474	4.1
125.09692	1.5
135.04550	1.0
137.02423	1.5
151.03986	1.1
151.11255	1.6
153.12770	2.3
161.04497	3.1
161.09686	2.0
165.12823	1.9
166.13251	1.2
175.02444	1.0
177.01923	1.0
179.03386	1.4
179.10742	5.5
183.13911	1.7
188.04773	0.8
194.72762	0.7
197.11826	85.5
198.12198	3.5
203.07126	1.4
205.04973	1.3
208.16911	1.1
209.17329	1.9
223.09642	1.9
227.12910	3.6
241.10869	8.4
245.08192	2.2
249.06056	0.8
253.09224	3.7
267.07178	1.1
271.02481	2.1
271.10791	3.1
289.07193	11.7
299.01871	2.8
300.02625	1.5
314.16135	3.7
315.04980	1.8
315.08710	0.9
315.16360	6.8
331.17529	1.7
345.22678	6.3
417.21072	1.3
434.17307	1.3
459.18661	0.9
477.09366	3.3
477.19681	100.0
477.30740	2.8
478.20474	8.3
478.26297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37162	0.6
55.01883	0.8
57.03437	2.7
59.01384	18.1
61.98830	2.0
65.12473	0.7
69.35573	2.7
69.36000	1.9
69.82852	0.6
71.01006	1.1
71.01385	15.2
72.59119	0.7
72.99313	5.5
73.02940	2.0
75.00877	12.7
79.29771	0.5
83.01368	0.7
83.04989	0.7
85.02960	17.3
87.00883	5.5
89.02455	4.2
94.87655	0.6
95.01412	3.9
95.39464	0.5
96.55279	0.5
99.00890	8.2
101.02429	1.9
103.00374	1.9
110.75908	0.7
111.00915	0.8
113.02455	17.8
114.02816	0.8
115.00384	2.1
117.01933	1.8
129.01971	1.9
131.45050	0.6
157.01410	0.7
165.12843	7.5
175.02470	2.1
183.13905	82.9
184.14224	3.4
205.07227	1.4
209.11827	2.3
227.12892	4.5
249.06154	4.0
267.07208	4.7
301.16592	5.3
336.98529	0.6
363.61966	0.7
415.19775	6.7
416.20221	0.8
433.20587	0.8
439.81577	0.6
459.18750	3.3
477.19788	100.0
478.20197	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01373	11.1
61.98842	0.4
67.01899	0.8
68.99814	0.9
69.03458	1.1
70.48534	1.3
71.01378	12.6
71.59391	0.4
72.99305	4.0
73.02940	1.1
75.00869	11.6
81.03452	0.5
83.01381	1.2
85.02950	14.6
85.94411	0.4
86.03239	0.4
87.00870	5.1
89.02451	2.8
95.01376	3.4
99.00880	7.9
101.02458	0.5
103.00389	1.6
111.00877	0.8
111.08186	0.8
113.02452	14.0
115.00356	1.9
117.01932	1.5
129.01929	1.2
131.03502	0.5
139.00339	0.4
157.01390	1.5
165.12842	8.7
175.02470	2.7
183.13884	83.4
184.14215	3.3
205.07188	1.0
209.11810	1.6
227.12856	6.7
231.05084	1.2
249.06126	9.6
267.07108	4.3
301.16534	6.1
353.66684	0.4
405.41388	0.5
415.19724	6.7
416.20285	0.6
433.20795	1.0
459.18607	3.5
477.19748	100.0
478.20084	10.5
504.50931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56514	0.6
59.01367	2.2
61.98826	0.6
63.22093	0.6
69.03444	2.6
71.01381	2.0
71.51295	1.1
72.64417	0.6
74.99085	1.5
75.61173	0.6
78.95892	0.7
79.01891	1.1
79.38267	0.7
81.03451	0.7
83.01369	1.7
91.76434	0.5
93.03438	0.5
95.01376	1.5
96.96009	4.7
96.96957	1.0
97.02930	2.9
101.02412	1.4
107.01373	1.6
109.02927	1.1
113.02406	1.1
118.98095	10.9
118.98933	1.1
121.02950	0.8
122.62704	0.6
123.00887	6.2
123.94335	0.6
124.01660	18.3
125.02449	50.1
126.02741	0.8
128.03546	1.0
137.02438	1.3
146.04582	0.6
146.08183	1.0
149.02428	0.8
149.99582	27.4
151.00421	3.2
167.03491	1.3
168.00635	53.5
169.01367	4.7
190.99895	1.0
193.01453	0.7
205.31633	0.6
211.02480	0.7
237.07732	1.0
327.10870	0.7
330.10748	0.6
380.15619	1.4
394.66040	0.7
459.11310	1.6
477.12469	100.0
478.12808	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	98.3
63.53262	1.1
63.60980	1.0
69.03460	1.4
71.01384	27.5
72.99298	2.0
73.02931	6.8
75.00875	1.2
83.01382	3.1
85.02948	5.1
89.02448	22.0
95.01368	1.3
97.02932	2.3
98.20755	2.0
98.31377	1.1
99.00887	5.0
101.02448	10.9
109.02944	1.2
110.12476	1.2
113.02436	6.4
115.03975	2.0
119.03538	2.0
121.02959	11.7
125.02445	9.8
126.02814	1.3
131.03474	1.6
133.05074	2.7
136.11139	1.3
143.03520	2.7
149.04549	2.4
153.01945	7.0
161.04539	14.6
166.06352	75.3
167.06659	3.8
168.04266	3.8
179.03436	2.7
181.08701	100.0
182.09056	4.0
183.06595	1.4
191.05640	1.8
233.06711	7.4
235.08260	9.0
254.10725	1.0
293.08856	5.4
345.15381	2.1
347.19763	1.3
417.17819	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30799	0.5
54.96282	0.4
59.01371	0.9
61.93375	0.6
71.08307	0.8
78.95901	95.3
81.20174	0.4
96.96957	6.5
112.77409	0.5
122.00132	1.0
140.01175	5.8
152.98375	0.9
152.99585	14.7
153.00876	0.9
163.07610	0.7
171.00629	14.7
196.03790	11.1
214.04863	2.8
279.23264	100.0
280.23624	8.6
345.36603	0.4
402.24146	1.1
475.38007	0.6
476.27805	68.8
476.38690	1.7
477.28275	6.8
477.35172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.6
58.68097	1.6
59.01379	12.7
60.78122	1.8
61.98826	4.9
71.01398	2.7
82.78161	2.0
91.01899	5.4
101.02467	4.2
101.55114	1.7
104.02698	2.5
132.02188	7.2
133.02959	19.2
135.00883	8.2
161.04640	1.8
201.05647	2.0
211.04109	3.9
225.05551	2.7
239.03491	93.5
240.04160	19.7
267.02979	100.0
268.03726	76.0
268.06668	3.7
269.04514	48.8
270.04822	3.3
285.62537	2.1
300.46048	1.7
330.19858	1.8
459.10916	4.7
469.21075	1.9
477.31174	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92124	0.3
71.20308	0.8
77.91968	0.3
78.95908	100.0
96.96967	8.8
140.01126	0.4
145.02969	1.1
150.97993	0.3
151.31964	0.3
152.99596	17.2
171.00650	19.6
176.29852	0.3
177.39854	0.3
200.87088	0.3
214.04945	0.5
253.77003	0.3
279.23282	0.4
402.24258	1.4
476.27823	62.8
477.28207	7.0
477.34885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
57.27863	0.1
59.01360	0.5
61.98833	0.2
62.96388	0.1
71.50458	0.2
75.55495	0.1
78.95906	12.7
95.65069	0.1
96.96008	0.1
96.96956	0.5
97.06586	0.2
122.00121	0.2
140.01190	1.9
152.99615	1.9
169.01468	0.1
171.00639	1.3
196.03810	1.3
209.77132	0.1
214.04852	2.9
261.22211	0.4
279.23285	100.0
280.23630	8.3
374.32922	0.1
413.33633	0.1
476.27847	11.0
476.38480	0.5
477.28064	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	476.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.9
59.01105	1.2
59.01382	16.4
61.98827	10.6
69.03458	1.5
70.80508	0.8
70.80825	1.1
71.01389	6.0
71.05029	1.0
72.00912	14.4
72.01331	0.9
73.02941	1.9
74.02473	34.4
75.00843	0.8
81.03458	0.8
83.01393	1.2
83.05062	0.9
84.04619	0.7
85.02946	1.8
86.02477	4.0
87.00871	1.7
89.02427	3.3
93.03499	1.0
93.96191	0.6
95.01403	0.8
99.00878	1.0
99.04511	3.7
101.02457	4.7
104.03542	100.0
105.03886	1.6
106.01277	0.6
109.02957	1.5
109.92534	0.8
111.04511	1.0
111.08162	1.6
113.02444	2.3
115.00436	0.8
125.02449	2.2
128.03557	0.9
130.08734	0.9
133.02959	2.4
135.04517	0.8
149.02451	0.7
161.04465	1.1
165.05362	0.8
165.12871	18.2
166.13213	0.9
173.04617	1.5
175.02538	1.4
175.04012	0.9
177.01944	1.0
179.10822	2.1
183.13829	0.9
197.11823	29.2
201.11397	0.7
202.02162	1.1
208.17053	4.2
209.11765	1.3
220.03314	0.8
221.00899	0.9
222.01483	0.9
222.15004	2.4
223.09822	0.8
227.12907	1.2
234.14935	3.1
241.10866	3.6
243.02934	1.0
252.15877	1.3
253.09419	0.9
266.13837	1.8
271.02563	5.0
271.10892	1.0
278.13992	6.2
280.15454	1.2
284.14969	5.6
285.04010	1.3
296.14932	1.3
298.04559	2.6
299.01923	7.3
299.05225	2.6
300.02667	2.2
300.05865	1.1
306.07639	1.5
314.16089	82.4
315.05164	5.2
315.16394	5.3
326.03860	1.4
326.15958	1.1
327.04556	0.8
328.05408	1.2
338.15823	0.8
344.21466	1.3
345.22949	4.2
354.03580	1.0
355.04800	3.7
355.08334	0.8
356.04904	14.8
356.17056	4.1
385.05017	0.7
386.05853	4.9
396.35571	0.8
432.23624	1.0
462.08264	1.2
476.02197	1.1
476.09128	24.2
476.21259	25.0
476.28250	1.6
477.10095	6.9
477.19647	36.8
500.88480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3793
Annotation	Fasciculol A
Peak:m/z	Relative Intensity
55.75971	0.3
59.01384	0.6
61.98835	0.4
63.18564	0.3
66.62905	0.3
71.05004	0.4
71.51717	0.3
76.77048	0.3
106.54587	0.3
163.11287	0.7
403.32202	6.3
404.32547	0.6
417.33902	0.8
429.37415	0.3
475.37909	100.0
476.38269	14.1
493.38861	2.5
494.39566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03446	24.2
59.01380	61.6
61.98830	100.0
66.88417	1.9
69.30485	7.8
69.30909	7.6
71.01385	25.5
72.99289	4.6
73.02946	6.4
81.03439	2.9
83.01381	3.4
85.02946	6.2
87.00866	5.6
89.02454	20.7
90.37166	1.5
94.90007	1.6
97.02946	2.8
98.20758	1.8
99.00872	4.9
99.04524	31.4
101.02458	20.0
109.02940	5.2
111.75021	2.0
113.02457	7.4
115.00366	3.4
118.64278	1.8
119.03443	3.1
119.05000	4.4
125.02446	17.0
131.03549	3.7
131.89905	2.1
133.02979	2.6
135.04521	7.5
137.02423	5.4
139.11270	2.1
143.54578	1.7
149.02425	1.9
149.04544	5.9
151.03972	3.6
161.04559	5.9
165.12790	1.9
167.03497	2.6
173.04559	2.7
175.02469	3.8
179.03391	2.3
191.05556	4.2
193.01317	3.0
195.03043	3.3
197.11778	8.8
214.33643	1.9
215.03647	2.8
253.95753	1.8
269.10535	3.6
271.02557	2.1
285.03888	2.7
298.04367	3.0
299.02069	4.5
300.02582	4.5
300.05890	2.1
311.11243	3.4
313.07266	5.8
314.07535	8.0
315.05038	3.4
328.05515	4.1
343.08264	2.8
344.08884	3.0
345.22821	4.9
358.06387	4.5
367.08249	3.4
413.14642	2.1
458.18921	1.8
461.84406	1.8
476.08667	4.9
477.10150	9.7
477.19382	23.8
477.30240	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	475.3795
Annotation	Fasciculol A
Peak:m/z	Relative Intensity
59.01374	1.7
61.98809	0.3
71.01385	0.4
71.05006	0.4
73.02971	0.4
83.53139	0.3
110.66108	0.3
111.10455	0.3
111.31493	0.3
145.83156	0.4
359.33163	0.4
371.33148	0.3
387.32693	1.3
389.34229	3.3
390.34534	0.4
409.96838	0.3
429.37396	1.2
431.38913	1.8
457.36728	0.7
475.37949	100.0
476.38312	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	475.3792
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
50.15736	0.2
51.74698	0.2
57.03450	6.3
59.01369	0.6
73.02946	0.3
75.24479	0.2
83.05014	1.3
135.49986	0.2
168.33693	0.2
188.97353	0.2
250.86238	0.3
371.33044	0.4
385.35144	0.5
399.32617	0.4
400.27475	0.2
413.34286	1.1
414.34439	0.3
415.35846	2.9
416.36255	0.3
429.37515	0.5
432.00354	0.2
457.36719	1.0
473.36295	0.5
475.37900	100.0
476.38223	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	475.3794
Annotation	Sarcoaldesterol A
Peak:m/z	Relative Intensity
59.01381	2.2
61.98833	0.5
70.44992	0.6
71.01398	0.3
71.05041	0.4
73.02954	0.4
75.42321	0.3
83.78247	0.2
119.49818	0.2
122.41946	0.2
141.09177	0.4
301.77670	0.3
333.28085	0.4
359.33170	0.6
375.28986	1.2
387.32657	1.0
389.34317	1.9
390.34940	0.3
403.32101	1.1
428.25021	0.3
429.37167	0.7
431.39648	0.5
445.36755	4.3
446.37317	0.5
457.36740	0.4
459.34671	0.4
473.36545	0.5
475.37915	100.0
476.38242	12.9
491.38870	0.3
493.38980	5.9
494.39590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.379
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
53.54939	0.3
57.03440	1.1
59.01367	0.6
63.87622	0.4
66.05006	0.4
69.15849	4.0
71.05016	0.8
74.38055	0.4
85.02952	2.5
96.96005	1.1
98.19927	0.8
107.71601	0.4
175.93962	0.4
218.92070	0.5
236.93073	0.5
291.23242	0.9
369.31723	0.8
370.31836	0.4
389.30585	2.8
390.30960	0.4
403.32193	11.3
404.32547	1.2
417.33929	2.2
457.36804	4.6
458.37225	1.1
475.37900	100.0
476.38257	13.4
493.39090	3.7
494.39249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3791
Annotation	Taiwaniasterol B
Peak:m/z	Relative Intensity
54.46419	0.2
57.03447	4.7
59.01376	0.4
61.63425	0.2
65.04188	0.2
73.02935	0.6
77.00671	4.3
83.05014	1.0
84.53063	0.2
98.19953	0.6
120.58607	0.2
124.94231	0.2
189.04437	0.2
290.85590	0.2
308.63547	0.2
337.21701	4.9
338.21979	0.5
359.26758	0.3
371.33051	0.4
385.34796	0.7
395.86078	0.2
399.32648	0.3
403.32007	0.5
413.34216	0.7
415.35867	1.9
429.37280	0.7
439.69186	0.2
441.33813	0.5
443.35385	0.6
457.36743	1.0
470.38501	0.3
475.37891	100.0
476.38229	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01382	25.6
61.98830	3.5
69.16719	11.1
71.01385	8.9
73.02952	5.0
85.02952	2.3
87.00880	7.1
89.02450	3.5
101.02449	5.7
105.61948	1.2
111.08131	1.6
113.02438	2.7
119.03463	1.6
161.04553	1.6
165.12851	19.2
177.12802	4.3
183.13904	48.7
184.14296	1.8
195.13902	36.8
196.14226	1.3
198.67349	1.2
209.11778	2.5
213.14925	5.6
221.11862	1.4
227.12880	59.8
228.13237	2.1
230.84529	1.1
239.12830	4.2
251.12959	2.9
253.09270	3.9
266.18756	1.2
283.22882	1.5
313.23877	11.5
325.24023	1.7
343.24866	100.0
344.25122	7.5
475.21719	29.9
476.22165	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
56.01560	2.2
57.03440	5.7
59.01381	73.9
61.98827	3.5
64.27033	2.3
70.79095	2.1
71.01378	64.9
71.51270	1.9
72.99280	3.0
73.02945	22.7
75.00874	9.0
81.03441	3.8
83.01395	14.8
83.05009	3.1
85.02947	35.6
87.00867	19.4
88.00402	2.9
88.98771	2.7
89.02420	7.5
95.01382	4.7
99.00874	10.9
101.02439	56.4
102.82479	2.3
103.03987	3.6
113.02441	26.4
119.03510	5.2
125.02420	6.5
127.04020	3.6
137.09677	4.8
143.03506	5.8
159.02942	3.1
161.04581	25.6
163.07582	4.7
167.03468	3.5
173.04483	3.7
181.08679	3.6
249.06209	11.6
267.07208	24.5
269.10284	74.6
270.10437	3.8
311.05676	4.7
327.08630	8.2
415.16080	100.0
416.16461	10.5
475.08646	5.1
475.14392	28.7
476.14752	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	475.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91983	1.3
57.03439	1.7
59.01374	3.1
62.58720	1.4
66.66883	1.2
68.01401	1.8
68.20544	1.2
71.01381	3.7
82.02990	5.9
83.02487	3.5
87.00867	4.9
91.70428	1.5
92.00803	1.3
94.02979	7.4
95.01361	1.5
95.02507	12.1
95.43539	1.1
96.00880	1.8
97.04052	15.3
98.19899	4.5
109.02938	2.0
109.04069	18.9
111.05626	4.1
114.91253	1.3
119.05016	1.8
121.02775	1.3
122.02522	1.4
122.03552	1.5
123.05692	3.9
124.03979	2.2
125.03551	3.5
126.01968	2.5
130.08731	23.9
134.02473	1.8
134.03564	1.3
135.01982	3.0
135.04500	3.7
136.04063	3.0
137.03571	12.6
139.05159	4.9
141.10350	2.9
149.03540	4.3
151.05135	5.1
152.04681	1.9
153.03024	2.0
155.04620	5.6
156.06651	13.2
163.03961	2.4
165.03040	1.8
165.05600	2.4
167.04616	12.5
177.03107	5.0
178.06261	2.7
179.03363	2.4
179.04712	1.8
179.11816	2.5
180.04114	1.5
185.09302	1.9
192.04156	2.2
196.07208	2.4
206.03310	2.0
207.04182	1.9
210.05179	33.8
211.03627	2.2
211.05585	2.5
219.11325	1.9
222.05154	7.9
222.12434	21.8
223.12732	1.8
235.12012	1.8
236.14058	2.1
240.13480	4.7
255.10239	6.0
262.11801	1.8
264.06351	3.6
266.11417	7.8
280.12888	1.9
283.14114	100.0
284.14413	4.0
291.14633	2.1
292.13016	1.8
311.13403	4.0
323.13608	5.6
335.13391	2.1
341.14633	87.8
342.14993	6.5
343.08060	3.2
353.14703	11.8
371.15518	3.1
377.14645	2.7
395.15634	5.6
413.16791	2.7
431.17816	6.7
475.16977	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	475.0879
Annotation	Gomphrenol 3-glucoside
Peak:m/z	Relative Intensity
56.35878	0.6
56.83445	0.5
57.03424	1.7
57.22053	0.6
59.01377	19.8
61.98587	0.5
61.98831	6.3
63.25440	0.6
65.00287	0.6
65.03996	0.6
68.99809	2.0
70.15788	1.3
70.16178	1.6
71.01375	7.5
71.04984	0.5
71.43171	0.4
72.00914	3.5
72.99282	0.9
73.02943	1.2
74.02468	6.7
75.00854	0.9
75.92833	0.5
76.35505	0.5
81.03444	0.6
83.01380	1.8
83.05009	0.8
85.02940	2.1
86.02465	1.3
87.00867	2.6
88.98795	1.2
89.02443	3.5
93.03453	1.5
95.05029	0.7
99.00877	0.8
99.04522	1.9
101.02445	4.4
101.13470	0.6
104.03539	20.4
107.01375	1.1
109.02956	4.9
111.00858	1.3
111.08189	0.6
112.98793	0.7
113.02448	3.8
115.00353	4.1
117.03416	0.7
119.03500	0.8
119.04992	0.8
121.02953	1.6
122.17228	0.5
125.02415	2.3
130.08740	2.2
131.03497	0.7
131.04568	0.7
133.02960	15.2
134.03712	0.6
135.04512	3.5
136.04945	0.5
137.02423	1.5
145.02936	1.1
147.04538	0.8
149.02419	2.3
149.04547	0.9
151.00325	1.1
151.03993	1.2
153.01907	1.3
157.07639	0.8
161.02391	2.2
161.04539	1.8
163.00311	0.6
163.03949	2.3
164.95653	0.5
165.01884	1.6
165.12801	3.7
171.10281	0.6
173.02380	0.6
173.04535	2.5
175.00365	0.6
175.02432	2.8
175.03983	3.6
177.01917	4.8
179.03477	1.1
179.05531	0.7
181.12256	1.3
185.06003	0.6
189.01889	2.5
190.02504	0.7
190.15981	0.7
190.99873	0.9
191.03470	2.2
191.05597	2.1
201.01923	4.5
202.02318	0.5
203.03468	0.8
205.05075	0.7
207.02982	3.6
209.11909	1.0
211.03986	1.0
211.13452	1.0
213.05528	1.1
217.01372	1.5
218.99307	1.8
219.02945	7.2
221.00941	5.7
225.05579	1.0
225.11339	0.8
227.03516	1.4
231.02913	1.6
237.05644	0.7
240.04382	0.7
241.05003	1.1
242.05736	0.6
243.02940	0.8
245.00890	0.9
247.02217	0.8
249.03961	4.2
249.06256	1.1
251.01869	1.1
253.05009	1.5
255.02888	1.2
257.04501	1.3
261.03998	1.5
269.04538	1.7
275.01746	1.2
278.13953	1.8
279.03052	0.6
281.04620	1.1
283.05975	0.6
284.03265	2.3
284.14905	0.8
285.03909	2.3
297.03973	5.0
298.04819	14.2
299.05502	4.3
301.10931	0.7
307.02472	1.6
311.05453	0.9
313.03561	3.8
313.06625	0.8
314.16064	17.6
325.03574	5.9
326.04117	1.5
327.05017	5.0
328.05270	0.6
337.07129	1.0
339.04919	1.3
343.12912	2.0
343.21161	6.3
353.02899	5.2
355.04562	57.0
356.04828	4.7
356.17139	1.0
357.05969	0.7
358.03186	0.8
367.04559	1.0
369.13333	0.8
370.13828	0.8
383.04138	1.0
385.05612	20.1
386.06015	2.2
397.05515	1.5
415.23682	2.8
431.23087	4.4
475.08759	100.0
476.09100	10.4
476.21124	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94509	0.3
54.98143	0.3
55.31876	0.3
65.63568	0.3
70.45583	0.7
70.45946	0.7
70.64252	0.3
70.83315	0.3
78.95904	100.0
96.96961	8.9
118.28120	0.3
129.31305	0.3
130.28328	0.3
140.01167	1.7
148.34564	0.3
150.98029	0.4
152.99591	16.0
169.31906	0.3
171.00641	16.8
196.03830	1.9
196.05429	0.3
214.04910	0.9
229.59026	0.3
277.21732	15.4
278.22015	1.3
305.30957	0.3
400.22528	1.8
474.26248	55.2
475.26654	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98846	0.2
71.01382	0.3
78.95907	35.5
79.02579	0.2
81.60486	0.2
96.96059	0.2
96.96973	2.1
98.19861	0.5
127.76886	0.3
140.01204	2.6
152.99594	5.2
170.99249	0.4
171.00655	5.1
196.03877	1.5
214.04878	3.6
233.22734	0.4
259.20654	0.4
275.20227	0.5
277.21722	100.0
278.22089	8.8
400.22269	0.5
457.25842	0.8
474.26270	21.8
475.26755	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	474.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11184	1.3
59.01385	5.4
61.98833	11.4
71.01388	5.6
71.51262	1.6
72.99310	1.8
74.00211	1.1
75.00878	1.7
77.12492	1.0
82.36396	1.1
85.02953	2.1
87.00882	3.6
89.02454	2.0
93.03464	2.3
96.95991	1.8
99.04526	1.9
101.02463	1.5
104.05061	20.0
104.07487	1.6
109.02991	2.2
112.98905	1.3
113.02477	2.2
114.05605	1.5
117.83578	1.3
119.04998	2.4
120.01307	1.3
120.04569	3.5
127.74050	1.2
128.03496	1.2
135.04524	21.3
135.71848	1.2
136.04842	5.6
147.11955	1.2
148.04054	50.5
149.00887	1.6
149.04434	2.0
163.03961	1.8
163.07610	1.4
166.05093	100.0
167.05470	2.8
173.04604	2.4
179.03484	22.7
180.03790	7.4
180.08020	1.4
191.05553	1.9
192.03014	8.3
210.04073	81.7
211.04433	3.1
255.10283	9.2
263.07816	6.1
302.75055	1.2
342.08896	2.5
343.08356	3.5
354.06927	2.2
406.92490	1.2
474.12411	18.3
474.23508	1.3
475.12875	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	473.3635
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
57.03434	4.2
57.49971	1.0
59.01366	3.3
61.98863	1.2
69.82804	1.1
71.05018	4.8
71.51226	1.9
84.02166	47.6
85.02496	1.7
85.06577	5.1
87.04507	5.9
93.77081	1.0
95.03685	1.0
95.05053	1.6
97.06585	3.7
99.08128	1.5
123.08134	1.7
124.05296	2.6
141.09221	3.0
165.09161	4.2
249.41466	1.0
249.52592	1.0
283.88348	1.1
343.26459	5.3
385.31137	3.7
387.32925	1.6
413.34134	1.4
427.35751	2.1
429.33701	1.6
437.34317	1.7
443.35617	2.0
455.35260	67.7
456.35696	7.5
473.36365	100.0
474.36966	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	473.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77835	1.9
59.01374	4.4
66.01801	2.0
71.52077	2.8
89.78214	1.9
90.14779	2.2
99.80980	1.9
100.39788	1.7
107.38615	1.9
151.05203	2.0
151.69492	1.9
180.75067	2.1
205.15979	6.3
279.23279	100.0
280.23596	8.1
473.28217	22.9
473.36252	41.8
474.36749	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	473.3634
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
51.28978	0.6
52.08949	0.6
57.03458	2.4
58.80980	0.7
59.01376	1.9
63.04974	0.7
71.05021	6.8
71.51237	0.9
71.51939	0.8
84.02166	2.6
84.02648	0.8
84.32103	0.7
84.49209	0.8
85.06572	0.8
94.39780	0.7
97.06593	9.4
98.03741	2.0
99.08149	4.4
123.08156	3.2
141.09212	10.5
283.20667	1.3
299.23779	1.6
301.25504	2.0
315.23273	1.3
327.23224	2.4
329.24625	1.6
341.24774	0.9
343.26382	14.5
344.26685	1.7
357.27936	2.0
377.30261	0.9
385.31531	0.8
425.34174	1.0
427.32220	1.0
429.22015	0.9
443.35324	3.5
455.35257	3.4
473.36340	100.0
474.36606	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33308	1.8
69.33733	2.1
73.18417	0.5
74.44291	0.4
78.95907	1.2
141.56870	0.5
162.35446	0.5
175.33429	0.5
189.12869	1.3
205.15961	22.7
206.16322	1.0
267.11490	0.9
299.64795	0.5
352.92383	0.5
427.35690	1.1
443.23813	0.6
457.25128	12.9
458.25510	1.4
473.28250	100.0
473.36017	6.8
474.28558	14.1
474.35974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98793	0.7
66.46917	0.6
68.69566	0.4
70.06678	2.4
98.19975	0.7
121.06603	7.4
129.20630	0.6
133.06570	2.8
136.76219	0.6
145.87851	0.5
149.09720	100.0
150.10048	3.9
163.11276	2.3
205.15994	4.5
207.89107	0.6
244.57625	0.6
289.42963	0.6
297.18555	5.4
311.20166	23.5
312.20615	1.5
323.20166	19.8
324.20514	1.8
324.24405	0.7
337.33820	1.0
399.33856	0.8
457.25476	2.0
473.30661	78.5
473.36719	6.6
474.31015	12.0
474.37170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.00595	0.5
59.01378	100.0
60.01725	1.3
61.98838	4.1
71.01382	15.0
71.52862	0.7
71.53213	0.4
72.54037	0.4
72.99307	0.5
73.02960	2.6
75.00868	1.4
83.01392	1.5
85.02952	5.8
87.00884	1.5
89.02447	10.8
93.03482	1.1
95.01416	0.9
96.00919	1.0
97.02953	0.7
97.06598	2.6
99.00895	1.4
99.04561	0.9
101.02449	8.0
103.00410	0.7
106.39794	0.4
109.02980	1.6
113.02452	7.7
114.02764	0.4
119.03505	3.9
119.04982	0.7
123.04524	1.7
125.02448	1.2
131.03580	0.6
135.04494	1.0
137.02521	0.5
138.06895	0.7
143.03525	1.0
147.04707	0.5
151.04044	0.7
153.09221	2.4
159.03061	1.3
161.02521	0.8
161.04553	10.4
162.04980	0.6
163.04001	0.5
173.04550	1.0
177.01971	1.8
179.05661	3.0
179.10727	0.9
189.01915	3.0
190.02655	0.8
191.03561	0.6
191.05699	0.5
203.03607	0.5
217.01427	1.9
219.02980	0.9
231.03130	0.8
249.06256	1.7
251.16496	3.5
267.07285	1.0
269.04718	0.4
271.06143	0.8
272.06534	0.5
273.06894	0.9
282.05191	0.6
283.06049	0.5
289.07303	1.1
293.04581	0.9
297.13181	0.7
311.05615	0.9
323.05704	0.9
341.06598	4.0
342.07062	0.9
343.07623	0.5
413.21951	1.2
429.17612	0.6
435.10916	3.0
437.11612	0.6
450.25549	0.4
473.10605	1.5
473.16977	2.7
473.28708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88750	0.3
59.01381	11.6
61.80336	0.4
61.98829	2.1
69.37369	1.3
69.37795	1.7
71.01380	1.4
71.05023	1.5
72.99310	0.6
73.02937	0.6
83.05023	0.9
85.02936	0.6
87.00878	5.3
89.02425	0.6
89.64449	0.4
96.95985	0.6
98.20612	0.6
101.02464	0.7
103.00383	0.6
112.98798	1.5
113.02457	0.9
113.42846	0.4
116.15994	0.4
121.27186	0.4
123.04552	0.6
125.02449	0.6
129.64719	0.5
144.04518	0.7
154.48059	0.4
163.68488	0.4
167.14406	0.7
188.03485	2.1
206.33025	0.4
219.05109	0.4
220.06131	0.9
227.16542	3.8
228.16745	0.6
239.16553	1.6
281.21246	2.1
293.21225	14.8
294.21667	0.8
303.19489	1.0
305.17477	0.4
305.21112	2.0
311.22195	1.2
311.47232	0.4
318.13483	2.1
318.16702	0.4
323.22232	1.4
341.23294	100.0
342.23602	8.6
429.21085	0.7
436.33411	0.5
473.18927	0.6
473.24063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51004	0.5
57.03434	1.1
59.01381	100.0
60.01700	0.6
61.98840	5.0
66.78069	0.5
70.02953	0.6
70.64583	1.5
71.01385	12.8
71.75156	0.5
72.99313	1.4
73.02958	3.2
73.03503	0.4
75.00883	1.0
83.01414	1.8
83.05069	0.5
85.02953	5.2
85.06667	0.5
87.00907	1.6
89.02451	10.1
93.03491	0.9
95.01425	1.2
96.00924	1.0
96.96069	0.6
97.06608	2.2
97.58287	0.5
99.00893	1.4
99.04527	0.7
101.02446	7.4
103.00318	0.5
109.02990	1.7
113.02469	6.7
119.03481	4.5
119.05034	1.0
123.04540	1.4
125.02469	1.2
131.03502	0.6
135.04543	0.9
143.03549	2.2
151.04012	0.9
153.09248	2.2
159.03030	1.1
159.93498	0.5
161.02496	0.6
161.04572	11.5
173.04636	0.6
177.02014	2.0
179.05586	3.1
179.07057	0.5
179.10818	0.8
179.21774	0.6
189.01955	3.0
190.02611	0.7
217.01460	2.0
219.03061	1.2
231.02919	0.6
249.06212	1.8
251.16550	3.7
271.06244	1.1
272.06238	0.6
273.06735	1.1
274.76157	0.6
282.05331	0.7
289.07260	0.9
289.21057	0.5
293.04602	1.0
303.14664	0.5
311.05719	1.5
323.05707	0.6
341.06659	5.3
371.11450	0.5
413.22028	1.5
429.09537	0.6
429.17581	0.8
435.10895	3.5
436.62094	0.5
473.10623	1.8
473.17169	3.7
473.23135	1.2
473.29425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17378	0.3
59.01377	100.0
60.01719	0.7
61.98820	1.8
69.14604	0.3
69.30359	2.3
69.30767	0.7
70.72082	0.3
71.01376	2.4
73.02948	0.9
78.95910	0.4
83.01374	0.4
85.02953	1.3
88.21762	0.3
89.02466	0.6
91.01882	0.3
93.03541	0.3
96.96062	0.4
99.00897	0.4
101.02460	1.4
101.45242	0.4
107.68666	0.3
109.02974	0.6
112.31833	0.3
113.02460	1.1
119.03505	0.5
123.04536	0.5
125.02468	0.4
161.04549	0.7
165.89958	0.3
173.04562	0.4
311.05746	0.6
341.06653	0.7
353.19681	1.1
371.20920	1.4
413.21753	1.5
429.17880	0.5
435.76614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42004	0.6
57.03452	1.2
59.01381	100.0
60.01732	1.2
61.98829	16.0
68.46428	0.7
69.32041	5.9
71.01381	6.0
73.02954	2.0
83.01412	1.6
85.02949	3.1
87.00875	1.2
89.02457	3.1
96.80125	0.7
97.02959	0.7
99.00881	0.8
101.02457	4.1
109.02955	0.8
113.02445	3.0
115.43652	0.7
116.07166	2.6
119.03511	1.4
123.04566	1.3
125.02461	1.6
135.04515	1.2
143.11986	0.7
145.02829	1.0
151.04028	1.6
161.04590	1.2
174.46202	0.6
189.07091	0.7
243.90053	0.6
267.11172	0.8
289.07285	1.0
371.20343	1.2
413.21707	1.1
431.22922	1.3
467.62750	0.9
470.99216	0.8
473.23904	30.7
474.24237	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73491	0.6
57.03441	0.6
59.01381	100.0
60.01706	0.9
61.98830	2.6
69.37126	3.9
71.01384	2.4
85.02949	1.4
89.02461	1.1
101.02451	1.3
113.02432	1.3
122.94633	0.5
165.50267	0.5
189.01807	0.6
263.35333	0.5
279.02917	0.6
289.07227	0.7
321.03766	1.7
353.19672	1.7
363.04907	0.8
371.20633	3.5
413.21921	1.2
473.08496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56480	0.9
56.38084	0.9
59.01381	100.0
61.98830	1.2
69.35744	7.4
85.52676	0.9
98.19894	1.1
119.45128	0.8
185.53850	1.0
190.47478	0.9
245.41748	0.8
253.22609	0.9
378.33466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.2
59.01383	100.0
60.62352	3.9
61.98823	32.8
68.78375	4.3
71.01378	13.2
87.00881	7.6
91.07468	4.3
96.96018	6.3
97.02982	4.9
101.02464	11.1
109.02967	9.1
113.02438	7.4
121.02946	5.9
123.04508	11.7
125.02449	31.5
129.59778	5.4
135.04538	6.2
137.02580	6.2
138.39537	5.0
151.03978	16.2
157.03902	5.1
161.02455	5.8
171.51019	5.2
195.93350	5.9
205.05020	5.3
209.06184	6.1
289.07166	17.6
369.13333	9.0
378.32489	5.2
413.22043	6.5
460.80994	6.1
473.22128	8.1
473.32074	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	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	51.7
61.98813	2.6
69.18996	14.8
71.01392	12.7
73.02937	3.7
77.03971	3.0
79.01883	1.7
83.01395	2.8
85.02942	6.9
87.00883	2.6
89.02437	8.2
93.03452	4.7
95.01366	2.9
98.19914	2.3
101.02447	9.8
109.02921	2.0
113.02415	6.2
117.03458	18.3
119.03506	3.2
119.05035	2.4
121.02944	4.5
125.02451	2.6
135.04561	7.1
137.02440	2.1
145.02968	2.0
147.04549	2.3
149.01019	1.6
149.02441	3.6
151.00391	1.7
159.03140	2.2
159.04491	4.4
161.02444	7.2
163.00366	3.6
163.03993	7.0
163.52565	1.5
165.01942	2.6
173.04543	4.8
174.71558	1.5
179.03481	3.6
191.03307	2.1
203.03474	2.8
211.07706	1.9
225.05667	1.5
225.14937	3.3
239.07083	3.4
243.38007	1.8
268.03778	4.2
269.04498	5.1
279.36203	1.7
281.04553	7.1
282.05255	6.0
283.06119	58.4
284.06207	4.6
293.04541	6.3
295.05963	4.2
297.07565	2.4
305.35062	1.6
311.05606	100.0
312.05899	6.2
315.45782	1.5
323.05664	9.0
341.06635	17.1
353.06619	4.9
369.19217	12.9
387.20264	18.4
388.20825	1.8
413.08759	17.7
414.08765	1.7
429.21606	8.0
473.10880	34.6
474.11249	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	473.1089
Annotation	Germanaism B
Peak:m/z	Relative Intensity
56.46175	0.3
57.03438	0.4
59.01110	0.5
59.01381	8.5
61.98820	0.9
62.09883	0.2
65.00330	0.9
67.19603	0.3
70.22778	0.3
71.01382	1.5
72.70359	0.3
72.86311	0.3
72.99307	0.6
73.02984	0.6
74.03300	0.3
77.03975	2.6
79.01894	2.0
83.01380	0.8
83.01852	0.3
85.02937	0.8
87.00843	0.3
89.02467	0.7
93.03451	3.4
95.01379	0.5
95.04999	0.3
96.73936	0.3
96.95995	0.5
97.02950	0.3
101.02439	1.2
105.03459	1.1
106.49825	0.3
107.01366	0.8
109.02954	1.0
113.02452	0.8
117.03460	16.1
118.03786	0.4
119.03522	0.3
119.05006	1.5
120.90801	0.3
121.02950	2.9
123.00883	0.3
123.04496	0.5
125.02420	1.3
133.02948	1.0
135.04524	3.9
137.02431	1.0
145.02989	0.9
147.04509	0.8
148.14821	0.3
149.02458	2.5
151.00369	0.5
151.04001	0.5
159.04533	2.7
161.02444	7.7
161.04565	0.6
162.03088	0.5
163.00385	1.4
163.04012	4.2
164.04495	0.4
165.01918	0.7
169.06607	0.5
171.04506	0.5
173.02417	0.7
173.04515	0.9
173.05984	0.4
175.00282	0.4
175.04039	0.9
177.01987	0.7
179.03494	1.2
183.04520	0.5
185.02434	0.8
185.05916	0.4
189.01994	0.5
190.02725	0.4
191.03508	2.3
193.01457	1.0
193.06598	0.4
195.04498	0.5
196.05267	0.6
197.06041	1.3
203.03416	1.7
209.06058	0.5
211.07631	1.3
213.05472	0.5
215.03546	0.4
215.07208	0.8
222.06740	0.8
224.04784	0.6
225.05553	1.1
229.01367	0.6
236.08264	0.4
237.05446	0.8
238.05881	0.3
238.17400	0.3
239.07109	1.8
241.05025	0.5
243.06721	0.6
251.07199	0.4
253.05061	0.9
267.06665	0.4
268.03748	4.5
269.04538	5.6
270.04971	0.4
279.06918	0.4
280.07318	0.3
281.04532	7.6
282.05249	3.7
283.06116	53.5
284.06479	4.2
293.04520	3.5
294.05002	0.6
295.06070	3.5
296.06662	0.4
307.05872	0.4
309.04144	0.7
310.05112	0.4
311.05600	100.0
312.05936	7.6
314.04358	1.2
321.03976	0.5
323.05603	9.0
324.05875	1.2
325.07175	0.4
339.05084	0.4
341.06628	15.3
341.19925	0.4
342.07037	1.4
353.06683	1.5
369.19260	0.9
377.06638	0.4
387.20370	0.9
407.66769	0.3
413.08643	17.7
414.08792	2.0
429.21490	0.4
431.09912	0.6
473.10876	34.0
474.11108	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	473.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16446	0.6
59.01379	5.0
61.79322	0.6
71.01366	1.9
71.50721	0.8
72.99298	6.8
75.00860	1.2
76.76972	0.7
85.02958	1.2
86.73731	0.6
87.00871	12.6
89.02390	1.0
91.10114	0.6
93.03448	1.3
94.21283	0.8
96.96007	2.3
101.02472	0.7
103.00363	2.2
105.01926	1.1
107.05047	1.1
109.02926	0.8
114.05583	1.0
119.05009	1.5
128.03491	1.1
130.99864	1.0
134.03723	2.1
135.04520	85.7
136.04828	3.7
149.00909	52.4
150.01247	1.5
161.02391	1.4
163.04053	3.6
173.04565	1.2
177.05626	1.1
178.02757	0.8
179.03488	100.0
180.03819	3.5
191.05634	3.4
192.06171	0.8
201.01744	0.7
323.07965	0.9
341.08734	63.2
342.09073	3.8
353.08768	1.3
375.06946	1.0
473.08801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00635	0.5
57.03439	1.0
58.20012	0.4
59.01352	1.5
59.01634	0.5
65.46055	0.4
65.47157	0.5
66.01817	0.4
69.26048	1.6
69.26469	2.0
71.01376	0.5
89.02422	0.6
91.03981	1.3
177.38281	0.4
231.83237	0.4
248.01250	0.5
274.00845	0.5
324.76440	0.4
333.31696	1.7
335.33203	100.0
336.33551	11.0
353.34238	2.5
379.32196	43.6
380.32486	5.2
396.30273	0.5
397.33231	96.1
398.33545	11.0
471.36923	56.8
471.44031	0.7
472.37338	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	472.158
Annotation	Raloxifene
Peak:m/z	Relative Intensity
59.01372	5.5
61.98816	3.5
62.12240	1.5
67.03005	6.6
69.62054	9.8
70.05995	1.4
71.01373	2.0
82.02997	2.0
85.02946	4.1
87.00907	1.9
92.05061	19.5
93.03426	1.6
94.04104	2.4
96.96005	4.3
97.02958	1.4
102.05592	7.2
106.04106	4.7
109.04085	3.7
111.03153	2.3
116.92841	6.9
117.92879	3.6
119.05006	4.7
120.04547	3.7
126.06724	5.4
128.03546	43.4
135.04512	5.3
135.05650	11.0
136.04015	9.4
136.40701	1.7
146.04601	10.2
147.05704	7.4
148.04066	17.5
151.06194	1.8
151.27318	2.0
163.04021	9.4
163.06233	9.8
173.04454	4.2
177.10316	6.9
179.03508	2.5
187.08534	1.5
189.10315	5.9
191.05573	3.2
203.08282	2.1
215.08221	3.8
221.09291	11.7
233.09308	19.4
256.11685	1.5
258.08826	1.9
259.10803	1.9
275.11502	11.1
300.11008	48.5
301.11386	3.1
343.11386	11.4
360.16849	5.3
385.16287	22.7
386.15030	2.2
404.15756	55.0
405.16132	4.7
411.14099	6.9
429.15134	14.0
454.14944	6.0
472.15860	100.0
473.16510	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	471.3479
Annotation	Crataegolic acid
Peak:m/z	Relative Intensity
57.59351	0.5
67.42262	0.4
70.35530	1.5
72.38573	0.4
96.96004	0.5
123.08139	1.0
168.41336	0.4
175.11319	0.5
250.41843	0.4
377.28400	0.9
393.31628	16.9
394.32031	2.6
409.34732	21.5
410.35065	2.8
427.35803	8.5
428.36053	1.8
453.33612	2.5
454.34460	0.6
471.34796	100.0
472.35159	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	471.3687
Annotation	oscr#38
Peak:m/z	Relative Intensity
51.86669	0.3
57.03411	0.8
59.01367	1.8
69.03436	0.3
69.27102	1.1
69.27531	1.6
71.01386	0.4
71.42330	0.3
85.02944	0.5
88.97752	0.3
89.02422	1.0
91.03992	1.3
98.19884	0.7
114.45218	0.4
118.01836	0.3
147.03038	0.4
156.63477	0.3
192.34758	0.4
307.30057	0.5
333.31638	1.3
335.33170	99.1
336.33514	9.5
341.30707	0.6
353.34039	2.4
354.34781	0.4
379.32132	43.5
380.32532	4.7
397.33185	100.0
398.33514	9.8
471.36874	59.1
471.50922	0.5
472.37225	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	471.3478
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.76890	0.3
71.01393	0.3
95.11956	0.3
97.06577	0.4
98.20773	0.6
111.81790	0.3
124.91277	0.3
152.70964	0.3
195.14317	0.3
199.12161	0.3
229.26527	0.4
355.26431	1.1
373.27475	100.0
374.27817	11.0
417.26547	5.2
418.26968	0.5
443.22913	0.3
457.66632	0.3
471.34811	37.6
472.35132	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	471.3483
Annotation	Crataegolic acid
Peak:m/z	Relative Intensity
69.59524	1.2
69.59926	3.3
75.94402	0.6
79.03722	0.5
83.73677	0.6
84.49963	0.6
99.92594	1.8
113.24973	0.7
115.92075	4.0
116.92869	10.2
123.08107	0.8
158.79004	0.7
168.04726	0.6
377.28622	4.6
393.31705	16.4
393.36871	0.8
394.31876	2.0
409.24042	1.4
409.34781	22.9
409.40280	1.1
410.35092	2.8
427.35831	7.5
428.36230	1.1
432.71109	0.7
453.22586	0.6
453.33701	3.8
471.23990	3.2
471.34827	100.0
472.35117	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	471.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00269	1.3
55.59071	1.3
59.01383	2.9
71.01373	2.6
71.05032	1.9
71.51719	2.3
76.75591	1.5
107.22069	1.5
107.22886	1.4
231.28738	1.6
277.21719	100.0
278.22037	9.5
393.31717	2.7
409.35074	2.9
433.79001	1.5
453.33572	1.5
471.28036	3.4
471.34824	68.8
472.34882	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	471.3477
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
50.00544	0.5
50.13981	0.5
54.03012	0.5
59.01380	0.7
71.05013	0.9
71.50626	0.5
85.02985	0.5
97.06577	0.7
127.52661	0.6
140.80653	0.6
141.09222	0.5
373.27359	0.7
471.34796	100.0
472.35144	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	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.4
59.01382	100.0
61.98835	20.9
69.22659	28.6
71.01390	29.6
73.02950	28.7
73.38103	3.1
82.02994	5.8
83.01395	10.2
85.02947	10.7
85.03428	3.0
85.46427	2.8
89.02471	11.1
89.07713	3.3
99.00865	3.5
99.04553	3.7
101.02461	27.7
109.02994	4.7
113.02460	12.1
114.01888	3.3
115.08771	12.9
116.07166	10.9
119.03507	5.9
123.04501	4.0
125.02464	6.6
127.05144	8.3
128.03545	90.9
130.08737	36.1
131.03519	4.7
135.04523	3.4
138.01999	4.6
141.10335	5.6
143.11885	3.4
149.09694	3.7
153.09241	5.5
161.04492	6.7
173.04584	4.1
179.03603	3.9
179.05382	3.0
180.10313	6.9
190.02652	3.1
197.12955	30.7
205.12329	8.1
223.10814	13.7
227.07130	17.2
229.15480	8.1
241.11928	75.8
242.12299	5.7
253.05014	11.0
271.06100	33.2
272.06464	3.6
273.11346	7.8
302.11807	2.7
313.92706	3.0
351.05017	4.5
367.17706	5.2
385.18500	3.6
390.43759	3.8
433.11389	4.7
453.27063	5.6
471.22281	4.3
471.28348	54.0
472.28391	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.5
59.01381	100.0
60.01709	0.7
61.98840	2.1
71.01392	7.0
73.02951	10.1
73.33728	0.7
75.66512	0.6
80.92553	0.6
83.01366	3.1
85.03002	1.3
89.02460	1.5
95.62859	0.6
98.19856	1.2
101.02444	8.7
113.02462	2.2
119.03520	0.7
125.02446	1.0
131.03555	0.6
134.04463	0.5
135.04478	0.6
136.83925	0.6
139.03996	1.3
149.04590	0.7
149.64607	0.6
161.04552	1.7
164.64980	0.5
165.12776	0.6
186.86552	0.6
193.38930	0.6
207.13861	1.6
221.06729	0.8
231.13867	0.9
271.09750	1.5
471.35080	1.0
499.06461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	12.0
58.97364	1.6
59.01363	6.6
61.28667	1.9
61.98819	5.9
66.03482	2.2
71.01367	3.6
72.00906	2.0
72.99303	2.1
74.02474	31.2
81.04565	2.1
82.02984	3.9
85.02934	2.1
85.76875	1.8
86.02480	11.9
86.06107	2.0
87.05645	5.3
89.02428	2.0
97.02998	1.7
97.04072	3.8
99.04525	2.0
99.05646	24.4
101.02464	1.7
101.07206	4.9
102.05610	2.7
109.04064	4.9
109.07688	2.6
111.05619	2.3
112.04044	2.9
119.05025	2.0
123.05654	3.8
124.03962	1.7
125.02985	17.5
127.05104	4.5
128.03543	64.8
135.04607	2.1
135.05632	8.2
138.03772	3.1
141.06668	3.3
143.04622	83.6
145.06148	3.4
146.04620	8.7
152.05379	4.2
153.06708	5.4
154.06952	38.0
155.07251	2.1
161.04527	2.8
166.09825	5.1
167.04628	3.5
167.08228	3.1
170.03236	2.9
171.04161	2.3
173.04506	3.7
179.04625	25.1
181.06229	2.3
188.81770	1.6
192.07767	2.0
192.88298	1.6
198.05931	15.7
210.08870	30.9
228.09828	2.0
236.06671	2.0
254.07805	52.1
255.08275	2.1
272.08881	43.3
342.11264	10.1
427.16571	4.3
435.13901	1.9
453.14465	32.2
454.14389	2.6
471.15530	100.0
472.15839	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	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51863	0.8
57.03460	0.9
58.02156	0.7
59.01381	65.0
61.98825	8.6
63.99253	1.1
67.01884	1.0
70.00997	0.8
71.01380	3.4
71.50903	0.9
71.51288	1.3
73.02952	1.4
85.02959	1.4
88.04059	1.1
89.02427	1.6
93.03452	3.4
101.02443	1.5
109.02199	0.7
109.02959	2.7
113.02451	1.0
115.00375	1.3
116.92879	7.1
121.02930	2.7
125.02467	1.4
128.03557	1.0
133.01401	1.7
134.03687	4.3
135.04474	1.8
137.02452	1.0
139.04057	1.0
149.06032	2.3
159.04480	1.7
160.05292	2.5
173.04546	8.2
174.03169	1.1
177.01962	4.3
178.02748	2.0
179.03458	1.2
190.06357	2.6
191.05679	1.6
193.05037	9.5
203.03488	1.5
204.04266	69.2
205.04617	3.5
219.06613	50.6
220.06935	2.6
234.05360	1.0
245.07901	0.8
249.07671	100.0
250.08002	4.6
253.08614	1.2
280.84097	1.0
289.07199	1.1
290.07446	1.1
291.07654	1.8
297.07678	1.4
317.09467	1.1
411.18680	2.4
420.91479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99894	0.9
59.01369	1.0
69.79908	4.2
70.99891	5.7
71.01384	4.9
72.26064	0.8
72.99305	6.4
83.01377	1.2
85.02969	2.9
86.99387	6.6
98.99393	3.3
101.00952	1.8
102.98876	10.0
110.99383	1.6
113.02439	2.6
114.98878	19.4
126.98888	16.3
127.98963	1.1
130.98361	3.6
141.00446	1.7
149.00890	2.2
154.98372	15.6
156.99969	4.1
168.99915	1.9
170.97853	15.5
171.98019	0.9
172.99442	3.6
182.97856	14.9
183.98088	1.7
184.99374	1.9
186.97346	2.8
188.98920	8.9
192.56203	0.9
212.98952	2.4
226.96838	18.1
227.97041	1.6
228.98386	1.7
230.99962	10.8
244.97893	59.7
245.98048	5.3
246.99455	16.6
258.99496	1.5
290.36588	0.8
302.98419	4.4
320.99493	100.0
321.99664	10.3
325.54788	0.9
411.11282	2.0
471.13525	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	471.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26575	1.4
54.29700	1.4
56.45478	1.4
56.98275	1.5
59.01392	9.1
60.15697	1.5
63.68008	1.4
68.99844	2.0
70.99897	5.1
71.01387	25.2
71.50226	1.9
72.99310	29.7
73.02945	3.1
73.19730	1.4
74.21085	1.3
75.00866	2.0
83.01382	4.2
85.02962	13.1
86.99408	7.1
87.00881	4.1
89.02452	4.4
95.01383	3.4
96.96006	1.7
97.02978	2.2
98.99392	2.2
99.00880	6.0
101.00907	3.1
101.02436	2.1
102.98872	13.6
103.04040	2.0
110.90525	1.4
113.02448	21.6
114.98872	22.0
125.31394	1.4
126.98883	18.0
130.98378	4.0
141.00403	1.6
149.00928	6.2
154.54941	1.5
154.98358	14.8
156.99960	3.7
160.98012	1.7
170.97815	13.2
172.99397	4.4
173.04517	3.1
182.97858	13.4
184.99504	2.1
186.97415	2.9
188.98962	9.3
226.96846	15.1
228.98410	2.3
230.99945	9.7
244.97885	65.6
245.98030	5.2
246.99452	14.4
258.99481	2.2
287.46933	1.8
302.98520	4.3
314.87854	2.8
320.99481	100.0
321.08017	12.1
321.99762	10.1
339.09320	12.1
356.89270	2.6
372.88300	2.1
373.91638	2.3
375.09464	2.4
381.10452	8.3
393.10361	11.4
410.86044	1.6
411.11542	21.1
446.94699	1.7
471.13480	39.9
472.13571	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	469.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89251	0.8
54.23588	0.7
57.03444	1.2
61.23679	0.7
65.03960	0.8
66.55226	0.8
66.93171	0.8
69.41943	6.2
81.03471	1.4
83.01396	3.5
85.02958	1.0
93.03462	1.4
95.01395	1.4
95.05016	3.6
97.02947	6.1
98.20656	1.4
107.05014	2.5
109.02956	24.9
110.03320	0.9
121.02974	3.9
122.03744	1.6
123.04531	15.6
125.02448	12.1
132.38571	0.9
134.03743	0.9
135.04527	30.2
137.02443	13.3
137.03403	1.2
139.04024	2.9
139.35254	0.7
145.02939	1.3
146.03749	1.9
147.04482	1.1
149.02464	4.4
150.03252	1.4
151.04007	13.6
159.04506	3.6
161.02493	2.7
161.06116	6.6
162.03256	1.5
163.04062	5.5
164.01161	3.3
165.01949	3.4
165.04012	1.0
167.03525	1.6
173.06000	1.0
175.03973	2.1
175.07581	1.5
177.05614	1.4
179.03484	6.2
185.06084	1.3
187.04086	5.0
188.04774	4.4
191.03471	1.5
199.07664	1.7
202.06346	1.9
203.07141	14.6
205.05049	12.5
213.05653	1.0
221.08170	2.4
227.07182	2.2
229.08682	1.2
245.08170	16.6
247.06123	1.5
271.06250	0.9
271.09683	2.0
289.07178	100.0
290.07492	7.5
293.07217	0.9
315.08740	28.4
316.09073	1.6
317.06683	2.5
341.06412	1.5
371.46277	0.9
409.34167	0.8
469.11508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.2
59.01374	1.2
71.01379	1.7
71.50294	0.9
79.95771	2.3
85.02946	8.7
87.00905	0.5
89.02441	0.7
93.03474	2.1
96.96010	100.0
133.01411	0.8
135.04527	5.0
148.89507	0.4
153.05598	0.6
165.04013	0.6
173.04539	12.8
174.04874	0.5
179.03456	0.7
191.02039	2.2
191.05614	1.1
209.03006	18.2
210.03354	0.6
308.26007	0.5
347.55426	0.4
371.05954	1.4
371.09918	4.4
374.21994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31578	0.3
57.03447	0.4
58.71949	0.4
59.01376	6.2
60.01707	1.0
61.01807	0.7
61.98830	100.0
69.66691	2.3
71.01381	1.3
75.64877	0.4
81.03450	0.5
83.01376	0.8
88.38680	0.4
88.73294	0.4
89.02448	0.8
89.84497	0.4
93.03467	0.7
97.02958	1.0
101.02437	0.4
109.02948	4.1
119.05045	1.0
123.04553	2.6
125.02464	1.9
135.04527	4.7
137.02467	2.0
139.04053	0.6
147.04665	0.4
149.02437	0.6
151.04033	1.5
159.04491	0.4
161.02692	0.4
161.06116	1.1
163.04027	1.2
164.07240	0.4
165.01921	0.8
173.04510	1.8
179.03535	1.3
187.03995	0.4
191.05586	0.6
195.06563	0.5
203.07112	1.4
205.05080	1.1
245.08186	2.0
289.07150	12.5
302.96692	0.4
315.08694	4.7
317.06671	0.5
383.62061	0.4
469.18655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01381	13.5
60.01735	0.9
61.01805	1.9
61.98833	100.0
62.97160	0.6
67.01928	0.6
71.01377	4.7
71.51349	0.8
73.02961	0.7
82.07253	0.6
83.01416	0.6
85.02982	1.4
87.00904	0.8
87.26229	0.6
89.02454	5.3
93.03449	0.8
101.02467	2.5
109.02973	2.2
113.02453	0.8
115.57392	0.6
119.03587	0.7
120.01285	1.2
121.02925	0.7
123.04530	1.4
125.02483	1.7
131.03482	1.3
135.04550	3.1
137.02478	1.5
149.04579	3.9
151.04042	1.5
161.02458	0.6
162.93086	0.6
163.04073	0.7
164.04863	0.6
165.01999	0.9
167.03532	1.4
173.04558	1.8
177.10585	0.7
179.03584	0.8
191.05701	2.3
203.07172	1.2
205.05164	0.8
287.45175	0.7
289.07181	7.1
315.08896	2.8
406.12085	0.8
409.17300	1.6
468.19125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01383	8.8
61.98817	2.9
69.15825	7.4
69.16232	1.6
71.01389	22.8
71.05021	9.9
71.11092	0.9
72.99306	3.0
73.02917	1.1
75.00878	8.8
79.97437	0.8
84.20856	0.8
85.02960	8.9
85.93855	0.8
87.00875	3.0
88.04046	26.3
89.02443	3.0
93.03469	1.6
94.25582	0.9
95.01391	2.4
96.96014	6.8
98.19914	1.4
99.00874	4.7
99.04501	2.2
101.02415	1.2
109.02941	1.6
113.02464	9.9
115.00372	0.9
116.07159	1.2
117.01835	1.1
125.02467	1.2
129.05650	1.2
135.04550	2.3
136.04901	1.0
136.31047	0.9
146.08238	29.2
173.04594	5.0
174.04933	0.9
175.02484	1.6
189.03941	1.0
209.03108	1.2
218.10306	7.3
247.67964	0.9
249.06160	19.4
249.88499	0.9
250.06450	1.0
267.07227	4.9
289.07291	1.2
321.08344	3.0
450.15982	1.8
468.17252	100.0
469.17477	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	467.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
62.47460	1.0
62.96345	0.9
69.03461	1.8
81.03463	1.0
83.01380	5.5
93.03418	1.2
95.01416	0.9
95.05007	2.4
96.96040	1.2
97.02943	3.8
108.02171	2.0
109.02950	24.5
111.04514	2.0
121.02937	3.1
122.03735	2.3
123.04519	26.7
124.01629	1.1
124.04824	1.3
125.02422	8.1
135.04485	2.5
136.01587	1.2
136.05304	2.1
137.02428	4.1
139.03998	2.7
145.02942	1.3
146.03708	1.6
149.02458	5.7
151.03976	10.4
159.04472	3.5
161.02415	4.2
161.06090	4.2
162.03191	3.0
163.03967	4.8
165.01895	3.2
168.45909	0.9
175.03923	1.7
175.11293	2.8
176.01041	1.1
176.04794	2.3
177.05536	2.0
179.10742	1.8
187.03999	2.6
189.01915	3.1
189.09091	1.1
190.02573	1.2
191.07089	1.4
191.14465	1.6
193.08673	2.7
193.12294	3.8
201.05554	2.3
202.06180	1.3
203.03424	2.1
203.07101	4.0
204.04237	1.1
205.05095	10.5
205.08633	4.5
215.07112	1.8
216.07896	1.2
217.12404	1.8
219.10164	3.2
229.05075	1.4
231.02937	2.1
231.06657	2.0
232.07480	7.5
233.08063	3.6
241.08710	1.3
245.08223	2.0
247.06102	4.8
259.13370	22.4
259.15811	1.1
260.13699	1.6
261.11407	1.4
261.14935	2.7
271.13385	5.1
273.14960	2.7
289.07135	3.3
298.12167	1.8
299.12936	9.8
300.13275	1.5
301.14386	3.2
303.12292	3.5
313.14426	4.4
315.12411	1.6
339.20389	1.1
343.11804	13.7
344.12125	1.5
345.13474	2.0
355.11581	1.7
369.13519	1.8
379.18967	1.9
423.18134	29.7
424.18646	3.3
467.17056	100.0
468.17404	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	467.1708
Annotation	Dukunolide D
Peak:m/z	Relative Intensity
55.24668	0.7
57.03445	1.1
59.01362	1.5
69.03455	1.4
71.42883	0.8
71.43240	1.2
81.03476	0.9
83.01391	6.1
83.05035	1.0
91.53136	0.7
93.03464	1.9
95.01375	1.0
95.05035	2.8
97.02966	4.5
103.67623	0.8
108.02164	1.5
109.02951	29.9
111.04520	1.2
117.03468	0.9
121.02920	3.9
122.03713	2.7
123.04525	27.7
124.01657	0.9
125.02454	10.7
131.04924	1.0
135.04497	3.1
136.05270	2.5
137.02443	3.6
137.06038	0.7
139.04045	3.8
143.05035	1.2
145.02946	3.5
145.42949	0.8
146.03738	1.4
147.08109	0.9
149.02469	10.0
149.06061	1.1
149.09651	0.8
149.13249	0.9
150.03233	1.8
151.03999	11.8
154.02583	0.9
159.04486	3.3
160.05264	1.7
161.02466	6.3
161.06107	4.3
162.03175	2.2
163.00320	0.7
163.03998	4.6
164.01144	1.2
165.01901	3.6
173.06050	0.9
175.03995	2.1
175.11234	2.0
176.04793	3.3
177.05551	2.0
177.09102	1.0
179.03394	1.2
185.05974	0.9
187.03961	2.1
188.04724	2.3
189.01927	4.2
189.05574	1.0
190.02708	1.4
191.07144	2.3
191.10782	1.1
191.14468	1.3
193.08702	2.5
193.12331	3.9
201.05545	2.6
202.06296	1.7
203.03526	1.9
203.07208	4.1
204.04256	1.3
205.05026	8.7
205.08736	3.8
215.07123	0.9
215.14441	1.2
217.04955	1.1
217.08867	1.0
217.12350	2.5
217.15982	1.3
219.10229	3.9
227.07083	1.6
227.51921	0.8
229.04994	1.3
229.08694	1.5
229.16034	0.9
230.05540	1.3
230.09511	0.8
231.02983	2.1
231.06616	1.6
232.07416	5.6
233.08177	6.0
241.08943	0.8
245.08150	1.6
247.06085	4.1
257.11804	1.1
259.13364	20.0
260.13757	1.7
261.11288	1.9
261.15051	2.0
271.13290	5.3
272.13922	1.4
273.15048	1.4
289.07001	3.7
298.12149	1.9
299.12891	9.4
301.14340	2.4
303.12335	3.0
305.14044	1.8
311.12860	0.9
313.14417	3.0
315.12292	1.2
343.11832	13.8
344.12311	1.1
345.13477	1.7
355.12018	1.3
357.13336	1.2
369.13556	1.3
379.18924	2.0
380.19183	1.0
381.17004	1.3
405.17194	1.1
423.18115	30.6
424.18503	3.3
467.17068	100.0
468.17502	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	467.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.5
57.61393	2.3
59.01377	38.8
61.98824	33.0
64.15704	1.9
67.01906	2.4
69.03445	3.4
71.01379	28.6
71.05021	2.5
71.52671	3.1
72.99301	6.0
73.02922	6.6
75.00864	9.7
78.95891	5.0
83.01392	4.8
83.05023	3.1
85.02950	21.4
87.00882	9.8
89.02440	22.9
89.03934	2.8
93.03462	4.7
95.01374	7.0
95.04984	2.5
96.96035	2.8
96.96973	5.2
97.02943	4.4
99.00858	8.6
99.04447	2.5
99.33418	1.8
101.02455	13.0
101.05447	3.9
101.06078	41.8
107.05046	3.2
108.02187	3.8
109.02953	52.9
113.02434	19.8
117.03436	2.6
118.06659	3.4
119.03447	2.5
119.05047	6.2
121.02929	6.2
123.00859	2.2
123.04520	23.0
125.02432	25.1
125.03416	3.3
131.03555	2.8
133.02943	15.2
133.05081	23.4
135.04483	10.9
136.01651	2.9
137.02451	7.2
138.05531	2.5
139.00349	2.6
139.04097	2.8
144.04543	4.5
145.02946	4.3
145.19786	2.1
147.04468	5.5
149.02429	9.4
150.03162	2.9
151.04004	47.1
159.04425	4.5
161.02438	33.5
162.03145	3.3
163.00339	3.4
163.03999	7.1
164.01117	4.6
164.07115	8.7
173.04576	10.5
175.03964	2.5
175.11188	2.9
176.01190	3.2
177.01929	100.0
178.02324	2.7
179.03540	4.2
187.03978	3.2
189.01920	51.1
189.10320	2.1
190.02678	9.9
190.99835	11.1
191.03477	13.6
191.05360	3.1
192.00624	31.3
193.01282	7.6
195.02901	3.4
201.01886	2.4
203.03479	8.8
203.07098	5.6
205.01379	10.4
205.04893	5.3
216.00655	10.2
217.01433	26.9
218.01863	3.8
219.02974	16.1
227.07051	3.3
231.02902	9.6
231.05052	2.4
233.00896	5.2
235.02383	3.5
245.08141	5.4
247.02486	9.3
249.06076	7.3
281.04465	5.5
287.05545	7.7
289.07162	49.9
290.07507	5.1
295.05859	2.7
297.07422	2.7
302.75214	2.3
305.06708	17.9
313.07175	9.4
315.05063	3.4
321.03888	3.3
333.11835	3.9
335.20651	6.1
339.05011	8.9
341.06647	89.3
342.07001	6.8
345.07864	2.3
351.12881	11.4
357.06174	73.9
358.06308	4.7
384.61859	2.0
407.07654	4.6
423.10583	5.9
423.15717	7.7
449.08649	5.6
466.27252	9.5
467.09750	29.7
467.17587	40.9
467.23575	5.6
467.27939	5.9
468.10696	3.3
468.17654	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	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01380	5.7
60.01723	0.6
61.98830	100.0
69.03442	0.5
71.01383	2.9
71.52103	0.8
72.99310	0.6
73.02949	1.3
75.00872	0.6
78.91915	0.7
83.01400	0.8
85.02950	10.9
87.00877	3.1
89.02463	1.6
93.03482	1.6
95.01405	1.5
97.02970	1.3
101.02457	1.5
109.02985	2.1
110.03284	0.5
113.02464	3.6
114.02808	0.6
115.00372	3.8
117.03476	1.5
119.05022	3.2
119.52826	0.5
123.04557	1.5
125.02486	3.5
128.03557	1.1
129.01915	1.2
130.86852	0.6
133.03004	1.1
135.04533	1.7
136.07732	0.9
137.02458	1.6
139.00395	0.6
144.49686	0.5
145.02953	5.9
149.02437	0.9
151.00391	0.7
151.04051	1.0
157.01425	8.1
159.04486	0.8
161.02415	0.7
161.04623	0.7
161.06110	0.7
163.04004	2.5
167.03543	2.0
173.04584	2.0
175.02541	2.3
175.04030	0.9
177.01952	2.8
177.05591	0.6
179.03557	0.6
187.04045	1.6
189.01968	1.3
191.05573	2.6
212.49394	0.5
213.05687	2.2
215.03743	0.5
217.01466	0.9
231.06746	0.7
233.04715	1.0
243.16032	1.4
244.16443	3.7
245.08182	0.9
255.03070	0.8
259.68738	0.6
286.04312	0.7
289.07309	2.1
301.24493	0.6
303.05225	1.1
304.05328	0.7
321.06381	2.2
329.96078	0.5
341.06693	2.0
346.06131	0.7
363.07471	1.8
406.21603	1.4
407.07648	0.9
448.08600	0.6
466.18216	0.5
467.09976	0.7
467.16086	0.8
467.21896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	10.9
65.40605	9.7
69.16409	13.9
69.16802	100.0
80.22515	10.5
99.55579	10.0
103.70374	10.3
123.04511	13.8
125.53593	10.1
135.25807	10.4
242.16388	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	466.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55474	1.6
55.01869	2.8
57.03450	100.0
58.00585	2.2
59.01380	63.7
61.98827	12.0
63.15199	1.5
71.01380	38.9
71.09169	2.7
72.99303	1.9
73.02943	7.0
77.83646	2.0
81.03469	2.7
83.01396	4.1
85.02966	16.1
87.00887	3.2
89.02431	25.8
93.03414	2.2
95.01391	3.4
99.00896	3.6
99.04518	74.0
101.02444	43.5
102.86534	1.9
108.02161	4.4
109.02998	12.1
110.03314	2.0
113.02444	25.6
119.03480	10.5
123.04530	7.4
124.04887	4.3
125.02453	42.1
133.02917	4.4
142.06650	2.5
143.03505	5.6
147.04495	2.8
151.03967	3.1
160.07735	3.6
161.02412	5.4
161.04552	4.3
164.07182	2.3
177.01927	23.9
178.02289	4.5
179.05501	3.2
189.01936	20.9
190.02351	11.6
191.03438	8.7
192.03882	3.7
203.03561	2.7
216.00734	4.5
217.01418	15.6
218.01772	12.2
219.02937	5.8
220.03351	3.3
231.02972	5.7
232.03455	2.7
232.75658	1.7
247.02412	2.3
253.91982	1.8
265.79276	2.3
290.02380	1.7
297.03482	2.1
302.07339	2.3
304.11862	45.0
305.12259	2.8
317.57730	1.8
322.12946	70.0
323.13248	5.7
339.05084	6.4
341.06699	16.8
342.06964	40.1
356.08527	4.7
357.06155	10.1
364.13919	12.6
404.17252	2.5
465.27048	2.0
466.12067	22.4
466.17578	4.0
466.27292	4.9
467.10089	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03433	1.7
58.00586	0.6
58.92814	0.4
59.01379	27.5
60.01726	0.5
61.69615	0.4
61.98831	6.8
71.01381	16.9
71.05003	0.6
71.32511	0.8
72.01718	0.6
72.61071	0.6
72.99315	2.7
73.02946	4.5
75.00874	2.3
83.01391	3.4
85.02946	6.6
85.06594	1.4
87.00875	2.6
89.02441	9.2
93.03417	0.7
95.01384	1.3
97.02956	1.4
99.00869	1.3
99.08156	1.6
101.02444	11.3
109.02968	1.7
111.00905	1.1
113.02457	5.3
119.03509	3.4
123.04523	0.7
125.02451	4.6
129.01944	0.7
129.09215	1.1
131.03497	1.2
133.02960	3.5
134.06075	0.7
135.04536	3.0
136.07629	0.5
137.02428	1.0
143.03499	0.7
143.10785	0.8
149.02426	0.9
149.04539	0.9
153.12831	0.6
161.02478	0.9
161.04596	2.2
165.01874	0.6
167.03493	2.2
173.04587	1.4
173.06117	0.5
176.67737	0.5
177.01968	2.6
179.03667	0.4
179.05611	2.0
189.01976	0.6
191.03506	1.1
191.05583	0.9
193.01398	2.0
211.12393	0.5
223.20947	0.6
225.14975	1.4
243.02905	0.4
243.16023	11.2
243.18518	0.6
244.16411	0.6
250.15923	0.5
256.03629	0.5
257.17603	0.6
257.20938	0.6
259.14490	0.6
283.82538	0.5
285.04019	1.3
285.20660	3.7
295.02597	0.7
303.13559	2.0
303.18304	1.0
303.21759	17.7
304.22156	1.7
333.19315	1.5
339.04984	0.5
341.06732	0.6
345.05975	0.8
345.22556	0.7
405.21371	0.7
429.24609	0.7
447.06992	3.5
447.25952	5.9
465.09579	1.6
465.27103	100.0
466.27509	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35981	0.9
57.03442	1.0
59.01381	100.0
60.01728	1.0
61.98823	1.7
69.86493	3.5
69.86900	1.8
71.01382	7.7
73.33521	0.9
81.03445	2.3
83.01396	1.1
85.02950	1.8
89.02454	11.3
95.05004	2.4
95.98141	0.8
97.02909	1.1
98.20612	1.7
99.04539	2.0
101.02451	4.3
109.02957	2.0
111.04540	1.0
113.02451	3.9
119.03516	5.8
123.04532	1.0
125.02465	7.3
133.02921	3.0
137.02498	1.5
139.03992	1.2
161.04561	1.9
167.03491	18.8
177.01964	1.2
179.03452	1.0
179.05632	3.1
193.01431	1.7
197.04556	3.6
200.87590	0.8
235.02464	3.3
263.31552	0.8
287.07605	2.1
344.81357	0.9
345.06226	5.0
405.21619	4.1
426.01373	0.9
465.23520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44032	0.4
57.03448	0.6
59.01383	100.0
60.01732	0.7
69.16438	4.8
71.01385	7.2
81.03436	0.7
85.02968	1.4
89.02450	11.7
96.04122	0.5
98.20657	1.0
99.04542	1.0
101.02454	4.9
106.42731	0.5
109.02950	0.5
113.02437	3.4
119.03493	5.4
123.04531	0.6
125.02449	1.4
131.03540	0.9
133.02937	0.8
135.04547	0.5
143.03522	1.6
149.04561	0.5
161.04633	1.5
167.03496	6.1
177.01991	0.5
179.05605	4.2
197.04532	1.0
235.02580	0.9
245.29747	0.5
246.69263	0.5
336.04584	0.5
345.06357	1.2
405.21329	3.2
418.67194	0.5
465.23389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11963	0.5
59.01375	6.6
61.49269	0.6
61.98841	1.2
62.54621	0.5
67.64960	0.5
69.74932	2.7
70.09695	0.5
71.01385	1.4
83.01402	0.7
85.02949	0.8
89.02430	0.9
89.03969	0.6
95.05038	1.2
98.19963	0.6
98.95499	0.5
101.02453	1.4
103.05587	0.5
108.02172	12.5
109.02959	16.2
113.02485	0.9
119.05022	1.0
121.02959	1.3
122.56252	0.5
123.04525	21.3
124.04866	0.9
125.02469	1.2
133.02945	2.5
135.00919	0.6
137.02489	0.6
145.02927	2.6
147.04489	3.7
149.02480	1.6
150.03242	1.4
151.04008	7.2
159.04544	1.8
160.01643	3.3
161.02467	2.4
161.04543	1.2
162.03178	1.2
163.04059	0.7
175.03986	4.4
176.01141	1.5
177.01932	25.1
178.02393	0.6
187.04042	2.5
188.04807	1.0
189.01929	50.8
190.02664	12.8
191.03490	11.6
192.03780	0.6
203.03485	7.5
203.07132	0.7
205.04997	0.6
216.00645	8.5
217.01405	36.1
218.01936	4.2
219.02965	13.7
227.07245	0.7
231.02963	10.9
232.03677	1.5
233.04497	1.2
245.08153	0.9
271.06067	3.9
281.04541	1.5
284.03439	0.5
289.07248	4.4
297.04324	1.2
297.07645	1.8
299.05609	0.7
301.07306	1.2
303.13516	0.8
313.07236	1.2
323.05685	1.4
333.13303	0.8
341.06647	100.0
342.07001	8.4
343.08347	0.6
355.08228	8.5
356.08752	0.8
358.48697	0.6
369.13132	0.6
389.63373	0.6
439.65955	0.6
456.72119	0.5
465.11856	43.9
466.12219	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	465.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70849	0.5
57.03448	0.7
59.01379	7.0
61.98832	7.0
62.49475	0.5
71.01388	1.5
71.51929	0.6
71.52267	0.6
72.99307	0.7
73.39792	0.5
83.01392	1.3
83.39269	0.6
85.02941	1.0
87.00869	0.5
88.98786	0.6
89.02431	1.9
93.03435	0.6
95.01373	0.7
95.05038	1.6
98.69567	0.5
100.07218	0.5
101.02435	1.4
103.05445	0.6
105.03481	0.7
106.06613	0.7
108.02168	9.0
109.02951	20.5
109.43447	0.5
110.03307	1.1
111.00940	0.5
113.02473	1.1
117.03482	0.5
119.04984	0.8
121.02955	1.4
122.03760	0.9
123.04518	19.3
125.02444	2.1
132.02182	0.7
133.02934	3.3
134.03749	2.3
135.04485	1.1
137.02478	1.5
145.03008	1.3
147.04518	2.5
149.02449	2.2
149.06097	0.9
150.03201	1.2
151.04004	8.9
159.04501	2.2
160.01642	3.6
161.02480	2.8
161.04691	0.8
161.06065	1.5
162.03157	1.6
163.03987	1.3
167.03499	1.7
173.02400	0.9
173.04591	0.8
175.04001	5.5
176.01091	1.2
177.01924	24.1
178.02278	1.4
179.03596	0.6
186.09462	0.5
187.04012	4.1
188.04803	1.3
189.01921	34.3
189.05547	1.0
190.02669	9.1
191.03476	6.4
199.07684	0.5
203.03549	3.2
203.07147	1.3
205.05081	1.0
211.13545	0.8
216.00620	9.5
217.01398	24.7
218.02147	3.0
219.02962	9.9
220.03426	0.9
227.07164	1.6
229.08643	1.7
229.14539	0.8
231.02972	7.5
232.03679	1.1
245.08127	1.8
253.05013	0.5
257.04474	0.6
259.06027	1.4
269.04651	0.6
271.06088	4.8
279.06656	0.5
281.04532	6.0
282.05096	1.2
283.05554	0.6
289.07104	4.4
297.04291	1.1
297.07703	4.2
298.04901	0.9
298.08133	0.6
299.05634	1.0
301.07150	2.4
313.07190	2.3
317.11432	2.0
323.05621	1.3
341.06628	100.0
342.06943	8.9
355.08167	10.5
356.08511	1.4
363.11838	0.5
465.11853	32.5
465.22867	2.4
466.12204	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	465.1036
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
55.86409	0.6
57.03443	11.0
59.01378	7.2
61.98830	4.1
65.00327	1.5
69.43635	5.2
71.01379	2.7
81.03449	1.4
82.25543	0.6
83.01385	4.9
85.02943	0.9
89.02470	1.0
93.03466	1.1
95.01395	2.7
99.00811	0.7
101.02431	1.2
107.01389	2.6
108.02207	1.3
109.02959	7.0
111.00879	1.7
113.02373	1.0
119.03452	1.2
121.02943	2.0
123.00867	1.9
123.04527	3.7
124.01660	6.9
125.02446	100.0
126.02787	2.9
133.02950	10.6
135.04500	1.1
137.02449	3.2
139.00340	1.6
147.04483	1.1
149.02449	5.8
150.03189	3.3
151.00388	10.8
151.03993	6.4
152.01146	12.6
153.01952	5.6
161.04584	0.7
161.06021	1.2
163.00377	0.7
163.04047	0.8
165.01895	0.9
167.03528	6.3
173.06104	1.0
174.03241	1.4
175.03972	4.7
176.01161	1.5
177.01924	10.3
177.66971	0.6
178.99846	7.8
180.00499	0.8
180.37543	0.6
181.01363	1.0
188.04692	1.8
189.05569	4.4
191.03506	2.3
191.05533	1.3
193.01419	6.3
193.05023	3.2
195.06615	0.9
199.04002	1.8
203.07124	0.9
213.05696	0.9
215.03505	1.1
215.07138	1.2
216.04279	0.9
217.05019	8.7
218.05409	0.8
219.02936	0.8
231.06636	2.4
233.04391	0.8
235.02428	0.9
241.05049	2.1
257.04578	1.8
258.05273	1.0
259.06137	11.1
274.04773	2.4
275.05594	6.6
276.06122	1.0
284.03284	0.9
285.04037	24.2
286.04492	2.4
303.05078	11.5
372.29520	0.8
405.20981	1.2
421.11365	2.0
437.10880	16.3
438.11191	1.6
447.09338	8.1
465.10358	67.9
466.10712	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	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
59.01378	3.4
64.24788	0.6
67.01871	0.6
68.99793	0.6
71.01382	1.1
71.05026	1.5
81.03461	14.7
83.01382	3.2
95.05018	6.4
97.02939	3.6
98.20660	1.5
99.04512	12.2
105.03468	0.7
107.01395	0.8
109.02952	6.0
111.04505	2.0
123.04528	6.5
125.02450	29.3
126.02759	0.7
133.02963	10.3
135.04483	1.0
137.02444	4.2
139.04015	2.3
149.02434	1.3
151.03970	1.4
161.02444	0.8
163.04054	1.6
165.01962	1.6
167.03493	100.0
168.03842	3.8
175.03969	0.7
177.01903	3.7
179.03485	1.8
191.03575	1.5
191.57358	0.6
193.01413	3.1
197.04556	16.7
198.04701	1.0
205.01237	0.8
206.02092	0.8
207.03030	1.4
209.04556	2.6
235.02475	16.3
236.02812	1.3
241.55835	0.6
265.03549	2.7
269.06723	1.3
287.07755	6.4
327.05136	1.4
345.06143	19.2
346.06433	2.2
355.06473	0.7
369.75485	0.7
375.07224	2.8
405.21042	0.7
418.94534	0.8
447.08887	0.8
457.16528	0.6
465.10306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03451	10.4
59.01381	22.9
61.98830	21.3
62.91091	0.9
63.02362	0.9
65.00324	2.2
68.99828	1.2
71.01393	6.8
71.52246	1.5
73.02940	2.0
75.00867	2.4
78.91914	1.3
83.01384	6.5
85.02952	3.4
87.00829	1.3
89.02463	4.7
93.03448	2.5
95.01368	2.9
99.04565	1.0
101.02444	4.4
107.01376	4.2
108.02214	1.8
109.02946	4.1
113.02444	3.1
119.03516	2.3
121.02967	2.3
123.00877	1.5
123.04534	4.4
124.01643	4.8
125.02450	100.0
126.02765	2.6
129.40468	0.9
135.04471	1.5
137.02469	4.9
139.03996	1.8
147.04492	1.8
149.02399	5.0
150.03203	3.6
151.00368	14.8
151.03975	6.3
152.01143	12.7
153.01950	11.5
159.04553	1.1
161.02411	2.3
161.04593	1.8
161.06113	0.9
163.04008	1.2
165.01918	2.0
167.03526	3.4
169.01378	1.0
171.04549	1.3
173.04546	3.0
173.05974	1.1
174.03221	2.9
175.04001	20.7
177.01929	24.2
178.99867	15.9
179.05536	1.1
181.01384	2.9
188.04814	1.3
189.05519	5.1
191.03514	1.7
191.05525	2.0
191.07150	1.0
193.05000	1.3
198.03163	1.1
199.04016	10.0
201.01999	2.4
203.07140	1.7
213.05470	1.9
215.03499	1.1
215.12846	1.3
217.05045	11.2
229.05035	1.3
229.58087	0.9
231.06586	2.0
241.05029	8.4
243.02916	2.8
249.06136	1.1
257.04535	1.9
259.06158	4.5
275.05569	4.9
285.04050	73.5
286.04346	5.2
303.05081	63.0
304.05490	4.9
345.05670	1.2
351.42764	1.0
405.21039	3.3
414.46365	1.2
436.86499	1.2
447.08295	3.2
465.10312	50.4
465.20004	2.8
466.10602	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	464.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.6
61.98829	100.0
73.41574	0.9
78.95916	2.0
98.20709	1.8
130.91544	0.9
152.17744	0.9
205.84459	1.0
212.92630	0.9
229.71738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01389	7.6
61.98832	8.8
69.74992	2.6
69.75387	7.3
71.01375	2.1
84.04530	1.5
89.02425	1.5
94.50246	1.3
95.05026	2.7
96.60106	1.5
96.95979	1.3
113.28388	1.5
122.06128	8.9
134.06157	3.2
136.07683	3.9
150.09268	3.6
178.26917	1.3
182.71336	1.5
213.06732	1.6
213.10422	1.7
214.49065	1.3
223.08862	4.0
224.09567	2.6
225.10428	2.1
226.11098	2.3
237.10242	2.6
239.11894	5.0
251.11833	5.3
252.12480	3.2
253.13470	36.3
254.13705	2.0
267.11392	1.9
269.09497	1.5
285.12466	3.1
289.13382	1.8
290.13715	1.6
311.02090	1.9
316.10849	1.9
317.11664	2.1
317.16815	1.8
318.12534	3.4
332.14041	3.7
333.14694	2.3
333.19608	2.0
344.14041	1.8
345.14777	2.3
346.15738	6.8
348.17145	28.6
349.17514	2.7
356.17294	1.5
360.17072	5.1
361.17896	2.7
376.20313	24.3
420.19305	100.0
421.19760	9.9
464.18265	33.2
464.29016	2.9
465.08487	4.2
465.18448	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80285	0.9
59.01369	3.5
61.98831	100.0
71.51806	1.3
78.95906	1.0
96.96019	1.2
121.78239	0.9
123.44046	0.9
204.17960	1.0
320.13599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71331	0.7
59.01371	2.7
61.98829	100.0
69.22843	3.1
69.23273	2.8
71.01401	0.9
73.02943	0.7
73.88586	0.7
78.82198	0.6
90.12149	0.7
123.04491	0.7
182.20346	0.6
187.16328	0.6
211.13509	0.7
303.29102	0.9
308.64063	0.6
312.09305	0.8
319.21225	1.2
464.09341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72596	0.8
57.03446	1.8
59.01382	7.3
61.98832	100.0
71.01382	1.7
71.08965	1.7
71.68302	0.9
73.02940	1.2
80.37461	0.8
83.01366	0.9
85.02946	1.4
89.02457	0.9
91.07915	0.9
95.01375	1.2
99.04511	1.7
99.05648	1.0
101.02438	1.7
109.02946	1.0
113.02410	1.0
119.03477	1.0
121.02959	3.1
122.03287	1.2
125.02421	4.0
126.02744	0.9
128.03551	2.7
137.02409	2.7
138.02679	0.9
143.04628	3.9
149.02466	7.1
150.02808	5.1
151.00377	2.2
151.03879	1.0
165.01898	2.1
166.02309	0.9
167.03500	4.3
173.04524	1.4
177.01944	1.4
179.03528	1.3
187.18260	0.9
191.03574	1.1
192.03818	1.3
193.01454	2.3
194.01801	1.8
223.02481	1.6
238.02718	0.9
254.07686	1.3
270.04880	1.2
270.40854	1.0
272.08984	2.1
301.03589	1.7
302.03897	3.1
314.03983	3.5
315.04642	2.5
316.05203	1.1
343.04633	6.4
344.04947	25.6
344.54648	1.0
345.05283	2.0
356.04657	2.1
373.05600	3.2
374.06009	16.6
375.06247	2.4
389.42758	0.9
400.51715	0.9
428.06952	0.9
446.07999	3.0
464.09061	17.9
464.16321	1.1
464.18408	1.1
465.09338	2.3
465.19699	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	463.3794
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
59.01387	2.9
66.18329	0.3
84.33662	0.3
96.95998	1.6
109.02981	0.5
120.05811	2.1
122.03742	0.4
125.06095	3.3
135.08165	15.6
136.08507	0.4
137.06122	2.1
138.06821	0.4
151.07651	0.6
153.09166	0.5
165.05560	0.3
170.05856	1.4
237.32628	0.3
252.36041	0.3
267.26749	0.3
326.71268	0.4
374.52844	0.3
385.34854	0.3
403.35892	2.1
404.36215	0.6
405.33920	0.4
421.36856	26.9
422.37186	3.3
445.37411	0.5
463.37924	100.0
464.38278	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37792	0.3
57.03450	0.4
58.00583	0.3
59.01378	5.1
59.77475	0.3
61.98820	0.9
67.22183	0.3
71.01379	3.5
71.10045	0.6
72.99312	0.4
73.02948	1.3
74.39070	0.3
83.01397	0.6
85.02966	1.2
87.00882	0.8
89.02447	3.0
97.02979	0.4
97.06586	0.3
101.02446	3.5
109.02986	0.4
111.08167	0.6
113.02476	1.6
119.03507	0.9
125.02487	0.5
161.04573	0.9
165.12849	8.2
166.13284	0.5
183.13902	100.0
184.14238	5.2
194.04916	0.3
209.11862	1.6
227.12866	10.7
228.13225	0.7
235.08252	0.9
235.78244	0.3
253.09273	4.7
254.09912	0.3
275.46808	0.3
281.61649	0.3
300.02786	0.3
301.03452	0.6
325.03333	0.3
329.23361	0.3
331.24875	6.1
332.25385	0.6
343.04721	0.4
441.68817	0.3
445.20703	0.7
463.21835	55.2
464.22150	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36643	0.1
55.01873	0.4
57.03440	0.4
58.00593	0.4
59.01380	8.7
61.98834	0.8
65.49629	0.1
69.03461	0.2
69.25302	1.0
71.01381	6.0
72.99313	0.4
73.02946	1.9
81.03444	0.2
83.01379	0.8
83.05024	0.2
85.02947	1.6
87.00874	0.9
89.02444	5.1
91.04025	0.1
95.01411	0.5
97.02952	0.3
97.06612	0.3
99.00880	0.4
101.02443	6.5
103.04008	0.3
105.12648	0.1
107.58506	0.1
111.08157	0.8
113.02450	2.9
114.02786	0.2
115.03993	0.3
119.03500	1.4
120.96260	0.1
125.02460	0.2
131.03510	0.3
132.57613	0.1
133.05067	0.5
143.03543	0.5
149.04550	0.2
157.05121	0.2
161.04568	2.0
163.11292	0.2
165.12849	8.1
166.13188	0.5
179.05592	0.5
183.13898	100.0
184.14236	6.0
203.61404	0.1
209.11804	2.2
210.12340	0.1
213.14876	0.3
227.12878	9.2
228.13150	0.5
235.08238	1.1
248.14095	0.1
253.09273	8.3
254.09778	0.2
294.50546	0.1
297.03775	0.1
300.02771	0.3
301.03339	0.2
301.16507	0.3
301.19904	0.1
331.24814	0.3
343.04675	0.2
373.05463	0.1
383.99777	0.1
445.20746	0.7
463.21808	53.5
464.22137	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
58.04888	0.5
58.30624	0.5
59.01382	100.0
60.01718	1.0
61.98846	1.8
69.74809	2.5
71.01383	15.0
71.05027	2.1
72.99310	1.0
73.02966	1.0
74.38946	0.5
75.00890	2.2
76.11411	0.7
83.01396	1.1
85.02961	2.3
87.00901	1.6
89.02450	22.8
93.03473	0.6
95.01401	0.7
101.02453	7.7
107.01397	1.0
112.40527	0.7
113.02458	6.0
119.03511	10.0
120.78609	0.6
121.02978	0.8
125.02448	1.3
128.03566	0.7
128.72758	0.5
131.03542	1.5
137.02515	0.6
143.03551	2.3
143.04639	0.9
149.02495	1.7
149.04550	0.9
151.00430	1.5
161.04628	2.6
165.01947	1.0
167.03513	0.6
177.12750	0.5
179.05626	10.3
183.10338	0.5
185.46707	0.5
193.01443	1.0
197.09853	1.1
209.11803	1.1
221.01018	0.6
223.13390	2.6
257.11914	1.2
269.04596	2.0
272.08978	0.8
287.01279	0.6
297.03986	1.7
298.05060	0.6
299.05698	1.9
300.02847	1.6
301.03494	2.5
313.03925	0.8
315.05273	1.0
323.61920	0.6
325.03537	1.8
343.04538	8.3
343.08093	0.8
344.04889	0.6
355.04593	1.0
373.05719	1.6
403.19730	10.9
404.19974	0.6
445.08218	0.6
463.08902	11.5
463.15933	0.8
463.22333	1.6
464.09305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96221	1.2
55.01860	1.8
57.03435	3.3
58.00598	1.2
59.01381	75.8
61.98539	1.5
61.98832	16.8
69.64674	7.0
71.01384	19.4
72.99273	1.2
73.02938	5.4
74.02468	3.3
75.00876	14.9
81.03460	2.0
83.01387	4.7
85.02959	7.7
87.00892	2.3
89.02429	10.6
93.03473	2.3
95.01381	3.0
97.02937	1.7
99.00890	2.4
99.04546	1.8
101.02458	16.3
107.01399	1.7
109.02973	2.6
111.00898	1.1
113.02435	7.2
119.03487	3.7
121.02947	10.5
123.04517	2.4
125.02453	10.0
128.03548	3.8
135.04556	2.8
137.02504	5.9
143.03595	1.5
143.04605	7.6
147.04477	1.3
149.02438	20.9
150.03204	1.3
151.00352	3.1
151.03979	4.8
161.02441	2.8
161.04585	4.7
163.00368	4.5
165.01956	7.5
167.03488	3.8
171.03940	1.4
173.04619	5.5
175.00336	2.8
175.04042	1.3
177.01933	3.6
179.03485	3.4
180.21136	1.3
190.99887	1.2
191.03499	4.3
191.05493	1.8
193.01416	13.5
209.11818	5.1
210.08954	1.9
215.03409	2.0
217.01465	1.2
227.12799	2.3
241.05142	1.8
241.07326	7.8
241.14513	2.1
242.08076	1.8
254.07877	3.2
255.02896	1.4
269.04590	1.9
272.08862	3.2
285.04160	2.8
297.04010	1.5
300.02750	1.3
301.03574	7.5
313.03625	8.4
314.04300	2.9
315.05054	7.7
325.03473	2.0
327.05060	2.7
341.02939	2.1
343.04581	82.5
344.04697	6.6
344.61139	1.2
355.04749	2.0
357.06241	1.4
373.05606	32.6
374.05679	2.9
385.05496	3.3
403.19727	100.0
404.20233	9.9
409.05728	3.7
419.15802	10.6
427.07019	1.7
445.07965	2.1
463.08646	31.0
463.18118	4.3
464.09503	2.0
464.17322	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	463.1035
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
56.58532	1.5
59.01368	5.3
61.98824	3.6
63.02405	1.8
63.18474	1.5
65.00335	2.9
71.51286	1.7
71.51719	1.7
83.01350	1.5
100.66080	1.6
101.40290	1.5
107.01396	4.9
110.94704	1.7
113.52340	1.5
124.32994	1.5
125.02528	1.9
133.02966	11.2
149.02412	3.5
149.34782	1.5
151.00331	10.1
175.04001	3.8
183.04417	2.4
199.03931	4.0
227.03561	2.1
227.12981	1.8
253.05090	1.9
255.02991	79.5
256.03732	37.1
257.04123	3.0
271.02402	3.6
283.02478	95.6
284.03226	100.0
285.04019	84.9
286.04361	7.1
300.02887	3.7
301.03516	5.1
343.04535	2.5
445.09207	4.8
463.09863	15.2
464.10419	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.2
65.00317	1.9
69.91637	3.4
71.01392	0.9
74.52589	0.6
81.03452	1.6
83.01395	2.1
85.02946	0.7
93.03447	2.7
95.01410	1.4
97.02951	2.6
98.19978	1.1
99.04523	0.9
105.03446	1.8
107.01377	1.6
109.02940	2.0
111.00874	1.6
113.02479	0.8
119.05032	0.8
121.02949	9.8
123.00880	1.8
123.04530	1.2
125.02452	8.3
133.02968	1.4
135.00816	1.0
135.04515	1.0
137.02438	7.8
139.04018	1.6
141.77975	0.6
145.02936	0.9
147.00905	1.6
147.04536	1.3
148.01640	0.8
149.02435	33.4
150.02864	1.5
151.00328	5.0
151.03976	3.1
161.02394	1.8
163.00336	4.8
163.04010	1.0
164.01044	1.0
165.01924	10.5
167.03488	3.8
171.04434	1.0
173.02455	0.9
173.04523	1.5
174.41806	0.6
175.00346	2.0
175.09335	0.6
175.68634	0.8
176.01215	0.7
176.52734	0.8
177.01930	3.5
179.03520	4.5
187.03966	0.7
189.01955	1.5
189.99075	0.8
190.99852	2.2
191.03497	5.5
193.01402	15.1
193.03220	0.7
201.05489	0.9
205.01411	2.8
213.05675	0.9
215.00116	0.7
215.03517	2.9
217.01396	2.1
223.02441	1.6
227.03372	0.8
228.04164	0.8
229.04910	1.5
233.04614	1.1
241.05072	1.3
253.05144	0.7
255.02968	0.8
256.03772	0.9
257.04532	1.2
259.02472	1.1
269.04819	0.6
271.06082	1.3
275.05542	0.8
281.04657	1.0
283.10501	0.9
297.04205	1.3
299.05573	0.9
301.03580	6.9
308.96130	0.7
313.03561	8.6
314.04227	3.7
315.05023	4.2
316.05176	0.9
325.03421	1.1
327.04996	2.0
341.03198	1.2
343.04550	100.0
344.04874	10.5
355.04514	2.7
356.04669	0.7
373.05615	41.5
374.05902	4.3
385.05783	2.9
409.05771	3.3
427.06607	0.8
463.08749	26.7
464.09167	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
61.98848	0.9
65.00354	2.0
69.44835	4.8
71.01400	1.0
75.00877	1.0
79.01929	1.1
81.03491	2.4
83.01398	1.3
88.08279	0.6
93.03493	2.3
95.01443	1.7
95.05069	0.9
97.02991	2.1
98.19905	1.5
99.04523	0.8
102.09810	0.6
105.03457	1.1
107.01411	2.8
109.02979	2.2
111.00919	2.2
113.02441	1.0
119.04984	0.6
121.02969	8.8
123.00885	1.6
123.04543	1.9
125.02443	9.9
126.94978	0.6
133.03000	1.2
135.00902	1.3
136.01755	0.6
137.02457	7.3
139.04045	1.8
145.02969	0.8
147.00890	1.1
148.01662	0.9
149.02440	34.2
150.03003	1.0
151.00362	5.7
151.03970	4.1
155.03510	0.7
159.04579	0.8
160.06908	0.7
161.02454	1.3
163.00371	6.1
163.04094	1.0
165.01932	9.9
167.03514	3.3
173.04578	1.9
175.00407	1.3
176.01053	0.6
177.01959	3.9
179.03503	3.5
187.04070	1.0
189.01976	0.9
189.99078	0.9
190.99921	1.6
191.03511	5.0
193.01424	13.4
201.05795	1.0
203.03502	1.0
205.01500	1.1
213.05605	1.0
215.03525	2.1
217.01434	2.4
219.02997	1.6
223.02397	1.1
227.03549	0.9
229.01407	0.7
229.05022	1.7
233.04379	0.7
235.02621	1.1
239.74013	0.7
243.02985	0.8
243.06487	0.7
251.03531	0.9
253.05147	1.0
256.03564	0.8
257.04596	2.0
259.02686	1.1
271.06152	1.5
283.10922	1.4
297.03983	1.2
299.05600	1.2
300.02670	1.4
301.03598	5.0
313.03494	6.5
314.04227	2.9
315.04941	4.0
327.05081	1.7
341.02954	1.5
343.04572	100.0
344.04974	8.8
355.04553	2.7
373.05630	40.0
374.05920	4.5
385.05554	4.1
385.67966	0.7
409.05511	2.9
415.06543	1.1
427.06650	1.7
440.97171	0.7
445.07953	0.8
463.08746	22.0
464.09067	2.7
464.86044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63126	1.0
52.99189	0.9
59.01376	1.6
61.84296	1.0
69.45937	7.5
69.46263	1.5
71.52402	1.1
83.01382	1.4
85.02954	1.3
88.68166	0.9
101.02451	1.1
107.01398	3.4
108.02148	1.7
109.02972	1.6
121.02956	2.6
125.89200	1.0
129.01781	1.0
129.77148	1.1
145.98595	1.0
148.01636	1.8
151.00381	13.4
163.00388	2.4
166.04811	1.2
178.99840	5.3
211.03844	1.2
216.04276	1.1
226.02620	1.9
227.03487	3.9
229.04942	1.7
243.02985	12.6
245.04521	2.2
254.02296	1.7
255.02972	30.2
256.03302	2.1
271.02472	67.5
272.02966	6.3
273.04120	1.4
300.02737	100.0
301.03476	57.4
302.03909	3.1
463.08820	77.3
464.09134	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	463.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79368	0.8
57.03445	1.6
59.01379	8.9
61.98832	14.1
65.00336	1.2
69.03455	0.9
69.45439	6.5
71.01373	2.6
73.02940	1.7
75.00831	0.8
79.01914	1.9
79.70324	0.8
81.03461	1.7
83.01401	1.3
85.02943	1.0
89.02470	1.5
93.03458	2.6
95.01392	1.9
95.05014	0.9
97.02950	2.0
99.04530	2.6
101.02464	2.1
107.01379	2.4
109.02944	1.9
111.04528	1.0
113.02431	1.4
121.02956	15.5
123.00908	2.2
123.04542	1.6
125.02470	12.2
133.02975	3.5
135.00873	1.2
135.04526	2.3
136.01663	1.3
137.02457	11.5
139.04031	1.4
145.02979	0.9
147.00882	2.9
148.01662	1.8
149.02434	34.8
150.02982	1.8
151.00378	8.1
151.04027	5.5
161.02473	1.3
161.04630	1.1
163.00363	6.3
163.03966	1.6
164.01160	2.1
165.01936	10.1
166.02606	1.0
167.03500	6.0
171.04555	1.3
175.00372	4.4
177.01921	5.0
179.03493	7.6
179.09785	0.9
189.01950	1.3
190.99863	1.6
191.03497	6.8
193.01407	13.4
197.04561	1.6
203.03468	1.9
205.01460	2.8
207.02948	1.1
213.05594	1.5
215.03499	3.2
217.01410	4.1
223.02515	2.7
227.03595	1.3
229.05061	1.0
233.04495	1.3
241.04965	1.7
243.02899	1.8
247.05995	1.1
253.05115	1.5
255.45439	0.9
256.03677	1.1
257.04562	2.5
259.02444	2.2
269.04523	1.6
271.02448	1.1
275.05530	1.0
283.02289	1.0
285.03934	2.3
295.02231	1.1
296.03366	1.0
297.04004	2.3
299.05637	1.9
300.02710	2.8
301.03534	16.8
302.03888	1.1
313.03580	16.9
314.04230	10.7
315.05042	6.8
325.03436	1.3
327.05011	6.2
340.02399	0.9
341.02914	2.0
343.04568	100.0
344.04916	11.3
355.04501	7.6
357.06097	1.4
373.05630	66.8
374.05966	5.6
385.05719	3.1
403.06583	1.9
403.19760	1.0
409.05322	1.2
427.06888	1.7
438.87949	0.8
445.07742	10.5
446.07977	1.1
463.08734	69.1
464.09158	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	462.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
73.44368	3.4
89.36099	3.1
96.95978	4.1
98.20619	6.3
102.96629	3.2
120.04402	3.2
135.89619	2.9
182.37900	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	463.0886
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
55.01883	2.0
57.03448	2.0
59.01389	12.5
61.98571	1.5
61.98833	14.9
64.10191	1.6
65.00323	2.3
71.01379	4.6
73.02939	1.6
73.11665	1.1
74.81395	1.2
81.03439	2.4
83.01389	2.3
85.02956	4.0
89.02437	3.1
93.03459	3.8
95.01395	2.5
97.02956	1.3
98.69484	1.3
99.04538	2.0
101.02444	3.3
107.01395	3.9
109.02943	4.4
113.02438	2.9
121.02967	16.1
123.00909	3.3
123.04539	2.6
125.02458	17.0
133.02930	4.0
135.92737	1.3
137.02444	10.8
139.04066	3.1
145.02985	1.3
147.00906	3.5
148.01643	1.6
149.02460	38.9
150.03198	2.3
151.00368	9.6
151.03972	5.4
155.03505	2.4
163.00375	9.9
163.04013	3.4
164.01111	1.7
165.01950	14.8
167.03508	11.7
175.00356	4.5
177.01891	5.2
179.03539	7.2
184.72655	1.7
185.28085	1.2
186.40253	1.4
187.04106	2.4
189.01965	1.6
190.02696	1.2
190.99979	1.5
191.03557	7.0
193.01419	13.6
195.02972	1.7
203.03528	2.5
205.01442	3.2
213.01759	1.7
215.03517	4.4
217.01453	3.9
223.02512	3.7
225.13008	1.3
227.03319	1.5
229.05045	1.4
233.04515	2.4
247.06134	1.8
257.04581	2.7
259.02499	2.0
269.04456	2.0
271.02576	1.6
281.04391	1.7
285.04095	2.9
287.04779	2.0
289.71490	1.3
297.03998	2.5
299.05576	1.6
300.02786	2.7
301.03552	16.6
313.03598	18.7
314.04169	13.0
315.05109	9.2
325.03635	2.0
327.05096	5.3
341.02887	2.6
343.04599	100.0
344.04950	10.2
355.04474	10.1
357.06067	1.5
373.05673	74.4
374.06018	7.4
385.05682	4.2
403.06644	3.7
403.15060	3.5
403.19995	3.4
427.06833	1.9
445.07828	14.1
463.08813	74.5
464.08835	8.1
485.43756	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	462.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.7
68.66991	0.9
68.99815	2.5
69.03458	1.3
70.99514	1.4
70.99842	1.1
71.01385	13.8
72.99319	4.6
73.02948	1.9
75.00874	11.3
81.03442	1.3
81.32888	0.9
83.01415	1.4
85.02953	12.8
87.00886	4.8
89.02450	5.5
93.03435	1.5
94.06628	46.6
95.01392	2.7
97.02944	1.0
99.00874	7.5
101.02431	2.6
103.00385	1.4
106.06628	4.0
113.02460	14.7
115.00422	1.5
117.01934	1.8
119.03491	1.1
122.06110	2.6
123.04510	0.9
124.07684	45.8
125.07992	1.6
129.01901	0.9
136.07669	4.0
138.05598	6.3
138.58401	0.9
147.69353	1.0
149.02409	2.6
150.05586	1.7
151.00394	1.3
159.27771	0.9
165.01909	0.9
167.03485	1.5
168.06664	85.8
169.06987	2.5
173.04573	1.0
175.02463	2.0
179.05530	1.0
212.05644	17.8
231.05113	2.4
242.10403	1.3
249.06163	23.7
250.06622	1.1
267.07254	5.7
286.04550	1.5
313.03296	1.1
314.04041	1.4
342.03586	1.5
343.04529	5.5
373.05627	3.4
385.18777	1.6
400.12616	1.1
418.13556	40.7
419.13748	3.9
430.13693	1.1
444.11212	1.2
462.12524	100.0
463.13626	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	461.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37746	1.2
70.38118	0.7
96.96012	0.7
124.76126	0.4
135.08176	4.1
149.06100	0.7
150.06876	3.2
163.07657	100.0
164.08017	5.7
176.08395	0.9
446.33948	2.9
461.36362	52.7
462.36752	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	461.3637
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
51.88927	0.3
57.53640	0.3
59.01371	0.4
60.16630	0.3
62.53490	0.3
69.18542	0.3
69.48930	0.3
71.50808	0.5
84.95984	0.2
89.12755	0.3
94.09866	0.3
94.93176	0.3
96.96040	0.3
135.08157	3.5
136.05223	0.3
149.06088	0.5
149.88948	0.3
150.06866	1.5
162.06950	0.5
163.07654	100.0
164.07977	5.2
176.08437	1.3
177.09207	0.5
276.23560	0.3
379.36130	0.3
446.34018	2.5
447.34344	0.5
461.36386	46.5
462.36679	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	461.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.57124	3.9
61.98824	26.0
70.64614	11.0
71.01376	49.9
72.99267	5.5
73.02952	27.7
76.46834	3.7
83.01373	9.3
84.50762	4.6
85.02947	24.2
86.48130	4.9
87.00867	11.8
89.02457	46.9
93.03452	3.9
99.00848	5.0
101.02436	53.9
103.04021	15.4
109.02914	11.2
113.02445	17.2
115.00353	6.8
119.03505	16.7
121.02932	11.1
125.02445	6.7
131.03444	7.8
143.03502	13.0
145.04997	4.4
149.04489	5.4
161.02396	7.1
161.04453	5.1
163.06035	21.3
167.10820	5.3
175.02509	11.4
179.05568	5.2
189.01915	11.0
203.08203	4.8
205.07129	16.7
207.10217	6.9
208.75858	4.4
215.03510	11.8
225.11299	9.8
226.07312	5.3
228.10225	5.4
239.08217	5.0
255.11314	17.4
269.04575	7.7
278.44406	4.5
283.06607	3.8
285.03915	5.9
298.05017	4.4
299.05460	6.9
299.10403	14.7
309.04016	5.1
313.03552	10.4
315.18115	5.3
329.23282	6.9
341.03107	8.1
366.23007	4.0
417.21387	11.0
461.08582	44.6
461.15616	19.5
461.22626	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	461.1091
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
50.10192	0.4
59.01304	4.3
61.98772	0.9
69.29615	3.5
71.01299	1.3
83.01342	0.4
87.00820	0.4
89.02407	0.6
90.20393	0.4
93.03399	0.6
101.02370	0.8
105.01791	0.4
105.03387	0.7
108.02130	0.5
109.02863	0.6
111.00819	0.4
113.02360	0.4
119.03461	0.6
121.00468	0.4
121.02872	1.3
125.02379	0.6
130.08676	0.5
132.02130	0.8
133.02884	1.7
134.03783	2.4
135.00807	1.0
135.04396	0.4
136.01591	0.6
137.02393	0.6
145.02983	0.5
147.04422	0.7
149.02420	2.4
149.04558	0.5
161.02354	1.3
163.00365	3.3
164.01089	0.5
165.01999	1.8
168.03017	5.7
174.03091	0.4
175.00269	0.5
179.03439	1.0
179.05368	0.4
187.59029	0.4
189.01833	0.5
191.03415	1.8
201.01990	0.5
214.06192	0.6
225.05510	0.8
225.11288	0.4
226.06334	0.6
227.03470	1.2
229.04987	0.5
239.12770	0.6
241.01414	2.0
241.04964	1.2
242.02109	0.7
251.03485	0.5
253.04980	1.1
254.05817	0.5
255.02892	1.5
263.12537	0.4
269.04501	2.8
270.01849	1.8
270.05154	2.0
271.02411	1.2
284.03244	2.2
285.04031	2.6
296.03156	1.6
296.06415	0.4
297.04037	16.8
297.07175	0.6
298.04797	100.0
299.01849	2.0
299.05203	8.3
308.03223	0.7
309.04086	3.3
310.04587	1.1
311.05606	1.4
312.06134	0.5
313.03519	1.1
313.07095	6.8
323.05554	0.6
324.02670	0.6
325.03430	0.7
325.63315	0.4
326.04306	4.2
327.04977	0.6
330.03821	1.6
338.04349	0.8
341.06638	96.1
342.06958	9.0
342.11081	0.5
353.06570	0.8
356.05417	0.5
360.64435	0.4
371.03613	0.7
371.07748	6.9
383.07468	0.5
385.09113	0.6
461.11053	37.3
462.11652	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	461.1094
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
59.01396	1.2
61.98840	0.3
63.02423	0.4
65.00350	0.3
69.29207	0.2
69.29505	2.3
73.02939	0.3
75.00868	0.5
85.02966	0.3
89.02490	0.3
98.20589	0.6
101.02478	0.3
107.01418	0.4
118.03284	0.3
129.59283	0.3
132.02161	0.4
143.58511	0.2
151.00356	0.8
154.33606	0.2
162.51471	0.2
203.42198	0.3
211.03967	0.4
227.03426	0.4
255.03000	85.9
256.03384	6.8
268.03757	0.7
269.04510	4.2
270.05005	0.5
281.04620	0.9
283.02493	58.7
284.03149	13.8
285.03976	2.7
297.04056	12.4
298.04810	16.3
299.05576	9.3
300.05911	0.7
313.03564	5.1
314.03986	0.4
327.05322	0.6
341.06717	0.4
367.24805	0.3
446.08569	18.3
447.08850	1.7
461.10916	100.0
462.11295	11.4
486.36157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Kaempferol 5-glucuronide
Peak:m/z	Relative Intensity
52.47117	1.5
53.48854	1.6
56.66349	1.7
59.01368	4.9
65.00308	2.6
93.03488	2.4
95.01387	5.1
98.19846	2.9
107.01398	1.9
107.58671	1.8
109.02950	4.4
111.00875	4.3
119.01384	4.2
121.02960	9.9
123.00890	1.8
123.04533	2.3
125.02451	5.5
127.57986	2.1
133.02960	4.0
135.00902	4.8
137.02423	10.0
139.03955	2.4
145.02951	2.8
147.00926	3.8
149.02444	35.6
150.02798	2.2
151.00343	2.5
151.03972	4.5
153.01848	2.6
161.02432	3.4
163.00366	32.2
163.04019	2.7
165.01930	15.5
167.03491	4.9
171.04561	2.8
177.01857	8.6
187.03928	3.2
189.01935	5.0
190.99857	26.1
191.03461	4.2
193.01460	6.7
197.06039	2.6
199.03958	2.2
201.01938	2.1
202.99840	1.9
205.01384	3.5
209.39934	1.8
213.05588	3.5
214.02635	2.2
215.03474	5.8
225.05515	2.3
226.02647	1.8
227.03568	5.2
229.01518	2.5
231.02957	3.3
239.03421	3.5
239.74747	2.1
241.05061	5.1
242.02197	2.7
243.03038	3.7
251.03500	2.5
253.05130	2.2
255.03065	3.8
256.03720	3.1
257.04486	3.0
267.02994	3.4
269.04526	4.8
271.02429	4.8
273.03894	2.1
284.03244	4.9
285.04031	43.6
286.04535	2.3
295.02426	4.0
297.04141	4.5
299.02161	2.1
300.02716	1.8
301.03561	6.3
310.59314	1.9
313.03531	45.3
314.04178	6.5
315.05206	4.9
329.03400	1.9
341.03009	100.0
342.03342	10.0
343.04572	14.5
355.04578	6.6
371.04053	42.9
372.04471	5.3
373.05630	3.3
383.03973	4.2
425.05060	2.3
433.07684	5.8
443.05777	2.2
461.07266	98.0
462.07916	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	460.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
65.40292	1.7
71.50157	1.9
74.25990	1.8
101.81281	1.8
121.70750	2.0
435.26892	2.1
460.38559	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	461.0724
Annotation	kaempferol 7-O-glucuronide
Peak:m/z	Relative Intensity
53.19434	0.9
59.01383	5.2
65.00301	1.2
66.16196	1.0
66.96996	1.0
69.40517	6.5
71.01379	3.4
75.00884	1.6
83.01424	1.0
85.02963	1.8
89.02444	2.3
91.01897	1.1
93.03472	1.5
95.01385	2.1
97.02946	1.4
98.19843	1.7
99.00866	1.1
101.02470	1.6
109.02941	3.3
111.00901	1.9
113.02426	2.2
119.01373	2.8
121.02971	6.4
123.00923	2.3
123.04525	1.5
125.02409	3.3
133.02943	2.8
135.00829	1.4
137.02466	5.4
147.00847	3.0
148.01662	1.3
149.02444	17.8
149.96375	1.0
151.00368	2.4
151.03949	1.2
153.01915	1.3
161.02431	4.5
163.00388	12.1
163.03989	1.5
165.01958	6.1
167.03575	2.6
169.06667	1.1
173.02429	1.9
175.00426	1.7
175.03946	2.3
177.01906	3.2
178.99823	1.5
179.51958	1.0
183.04585	1.9
185.02377	2.1
187.04045	1.3
189.01907	2.4
189.99120	1.6
190.99831	7.0
191.03479	2.2
193.01364	4.0
197.06075	2.7
198.03220	1.8
199.03970	3.0
201.01985	3.5
201.05330	1.1
202.99826	1.4
203.03496	2.6
205.01457	1.3
211.03979	4.2
212.04819	2.0
213.02010	2.0
213.05528	4.5
214.02641	1.4
215.03455	4.3
217.01427	1.8
225.05501	2.0
226.02562	1.1
227.03458	4.5
228.04111	2.2
229.05040	1.8
230.02390	1.2
231.02948	2.4
239.03448	2.9
240.04257	2.1
241.05002	4.9
242.02277	6.3
243.02966	6.3
245.04488	1.8
251.03485	1.2
253.04980	2.6
254.02306	1.0
255.02963	7.7
256.03757	10.4
257.04462	5.9
267.02924	2.3
269.04489	6.0
269.10266	1.3
271.02515	13.9
272.03156	1.0
273.04041	4.1
279.03067	1.0
281.04462	1.4
283.02448	7.1
284.03354	8.4
285.04025	32.0
286.04330	2.2
295.02484	3.4
297.00800	1.8
297.04010	6.1
299.02054	12.5
299.05331	1.9
300.02542	1.8
301.03476	1.0
311.02014	8.4
312.02747	7.0
313.03525	35.9
314.04001	3.6
315.05133	3.7
324.02902	1.2
325.03519	5.5
327.04980	1.5
328.02124	2.5
340.02167	2.0
341.02991	76.7
342.03470	6.6
343.04565	24.2
344.05011	1.5
353.03046	3.8
355.04517	2.8
371.04056	66.5
372.04538	7.7
383.04059	2.8
401.04993	1.3
401.14465	8.0
413.05411	1.6
425.04834	2.2
433.07703	6.7
443.06161	13.5
444.06439	1.4
461.07233	100.0
462.07629	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	460.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93976	0.7
56.08805	0.7
59.01384	3.6
64.43521	0.7
67.50838	0.7
68.99814	0.9
71.01378	2.8
72.99309	1.9
73.02951	0.7
75.00874	3.3
85.02954	4.2
87.00890	1.2
89.02459	1.6
92.05130	0.9
95.01379	1.5
96.22163	0.7
97.48977	0.7
99.00877	1.7
104.05064	20.7
113.02445	3.0
117.01876	0.9
120.04579	4.0
122.06107	0.8
126.71712	0.8
148.04044	55.2
149.04382	1.7
154.44769	0.7
166.05087	100.0
167.05487	5.2
192.03014	11.8
193.03389	1.3
210.04065	74.9
211.04395	2.9
241.50923	0.7
249.06149	25.0
250.06604	1.0
284.07751	1.1
442.10013	3.2
460.10962	28.3
461.11584	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	459.3845
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
57.97421	0.3
58.98639	0.3
61.18157	0.3
62.35443	0.3
70.34697	1.1
72.81075	0.3
73.82032	0.3
80.00027	0.3
96.96066	0.4
148.58174	0.3
226.76938	0.3
336.63028	0.3
355.70709	0.4
441.38037	0.4
459.38428	100.0
460.38770	15.4
477.39484	23.3
478.39841	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	459.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15507	3.7
69.15908	1.4
75.00871	1.4
84.75661	0.5
88.74242	0.5
174.68257	0.6
194.31889	0.5
289.42215	0.5
366.32617	0.6
373.18362	0.7
459.38434	100.0
460.38760	16.3
477.39514	9.1
478.39877	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	459.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
79.10793	0.2
83.39558	0.2
87.01768	0.2
98.19948	0.7
107.05032	3.4
163.11295	12.3
164.11557	0.8
194.33632	0.2
222.66550	0.2
248.19307	0.2
282.71353	0.2
283.17032	3.1
284.17685	0.2
291.23474	0.3
295.17038	1.7
325.37134	0.3
406.21002	0.2
409.65652	0.2
443.35281	0.2
459.29242	8.6
459.38440	100.0
460.29541	1.2
460.38773	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	459.3844
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
71.14391	0.7
95.76595	0.3
99.35569	0.3
358.40097	0.4
374.83243	0.4
376.77991	0.3
382.26245	0.3
459.38452	100.0
460.38770	15.4
477.39557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3843
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
60.30450	0.2
60.57529	0.2
62.87685	0.2
98.19788	0.4
115.92061	0.4
116.92076	0.5
117.91934	0.3
151.48866	0.2
171.65703	0.2
196.93439	0.2
229.43140	0.3
342.82318	0.2
413.38016	0.2
438.08206	0.2
459.38425	100.0
460.38791	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	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.58088	0.3
57.03436	0.7
59.01375	9.4
61.98813	0.6
69.03449	1.9
71.01379	4.3
71.05027	0.7
71.44230	0.4
71.44571	0.3
72.99283	0.5
73.02943	1.9
79.94444	0.3
80.02669	0.3
83.01383	0.8
83.05004	0.7
85.02940	1.5
85.06593	0.3
87.00863	0.7
89.02444	4.4
95.01436	0.3
95.05020	0.4
97.10458	0.3
99.00907	0.4
101.02442	4.8
109.06587	0.8
110.17667	0.3
113.02449	2.1
115.12554	0.3
119.03517	0.9
130.71417	0.3
131.03525	0.3
138.90739	0.3
143.03520	0.4
148.02779	0.3
148.41563	0.3
149.04517	0.4
149.09727	0.4
153.09296	0.4
161.04488	1.5
167.10768	3.3
177.12854	0.5
179.10829	1.4
179.12996	0.4
179.14409	3.6
195.13890	9.5
196.14316	0.4
205.12317	9.7
206.12715	0.4
223.13377	100.0
224.13734	5.5
235.08202	0.7
253.09259	16.7
254.09607	0.7
270.17261	0.3
291.40784	0.3
327.18027	0.7
327.21732	2.0
423.22415	1.0
459.22458	4.1
460.22369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64705	0.5
59.01381	6.6
61.98830	100.0
71.01379	2.2
71.52858	0.7
72.99352	0.5
73.02940	0.5
73.28720	0.5
83.01414	0.5
85.02943	1.0
87.00865	0.5
89.02443	1.4
93.03474	2.2
96.95988	0.5
101.02466	1.2
109.02955	1.2
111.04567	0.5
113.02467	0.8
117.03484	0.5
119.05046	1.4
125.02435	0.9
130.08702	0.6
135.04543	1.9
151.03946	0.5
161.02422	0.7
161.04524	0.7
163.11351	1.0
164.01247	0.5
173.04527	3.2
235.08305	0.8
237.11401	0.5
279.06485	0.5
289.07224	0.7
293.04620	1.6
311.05649	1.6
323.05762	0.8
327.05136	0.6
369.06192	0.6
431.09613	0.6
459.09015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94028	0.4
62.28732	0.5
70.06585	1.7
83.86407	0.4
89.35762	0.4
96.04272	0.4
98.20638	0.5
239.33043	0.4
277.48730	0.5
391.64584	0.4
399.32468	0.5
457.36856	100.0
458.37244	16.3
458.43719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
69.91022	0.6
69.91405	0.8
72.92534	0.3
78.75070	0.3
80.38763	0.3
83.05024	0.7
87.00879	0.7
88.60559	0.3
105.30467	0.4
161.76888	0.3
182.56566	0.3
386.75333	0.4
457.36880	100.0
458.37250	15.5
458.43741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05912	1.3
56.54932	1.5
59.01375	3.1
59.65452	1.4
61.98814	1.6
97.23017	1.3
163.11285	2.6
169.67693	1.5
177.68718	1.5
252.04163	1.4
281.15549	2.1
321.31613	91.0
322.31992	8.3
365.30548	42.1
366.30960	4.5
383.31665	100.0
384.32050	8.8
457.35516	65.5
458.35950	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	457.3689
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
55.67874	0.6
61.37038	0.6
71.43581	1.1
141.38406	0.6
146.84814	0.6
152.08099	0.6
160.98595	0.5
255.63481	0.7
307.10443	0.6
457.36862	100.0
458.37210	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	457.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34594	8.2
59.01383	41.6
69.33023	67.3
71.01372	23.5
77.99284	9.3
89.02451	29.9
93.09584	7.8
97.18172	8.3
98.19913	19.5
113.95128	7.8
165.76262	9.3
179.05618	14.8
205.15816	8.6
277.21725	100.0
278.22058	10.7
337.79898	7.5
457.35928	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	457.3539
Annotation	oscr#36
Peak:m/z	Relative Intensity
50.09215	1.0
59.01372	2.3
69.24009	10.3
73.56558	1.1
75.00873	1.8
81.36774	1.2
89.02502	1.1
91.03978	1.4
100.34499	1.1
108.59910	1.0
218.35959	1.4
223.81645	1.1
321.31601	98.9
322.31912	9.5
339.32703	3.3
365.30551	46.6
366.31012	5.3
383.31647	100.0
384.32013	13.3
457.35312	62.1
458.35721	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	457.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
58.02970	2.6
59.01381	14.7
61.98816	2.3
62.76869	0.5
69.03433	0.6
71.01376	9.4
72.99324	0.7
73.02950	1.0
73.04070	12.6
82.06582	0.8
83.01392	1.3
84.04514	0.6
85.02956	1.8
87.00883	0.8
87.05638	3.8
88.04043	0.9
89.02444	9.0
93.03439	0.6
96.95993	0.7
97.02982	0.8
97.04060	4.2
98.02473	2.9
99.05634	0.7
101.02432	2.2
109.02951	2.0
110.02454	1.2
113.02464	1.1
113.06135	0.6
115.05135	34.2
115.27765	0.6
119.03481	0.7
119.05011	1.7
125.02444	1.8
125.07208	0.6
126.06748	3.3
129.10313	1.6
130.08739	72.6
131.03484	1.4
131.09084	1.9
140.07158	1.8
143.11856	0.9
144.07764	2.4
148.05302	6.8
149.04526	1.5
153.10345	2.6
155.11882	2.4
157.13474	1.3
157.38232	0.6
159.07767	0.9
161.04500	0.8
163.04024	1.7
163.07613	2.1
168.07755	3.8
168.09019	1.6
173.04544	1.0
177.01938	0.9
183.11449	3.1
186.08803	2.7
191.05568	1.3
196.14549	0.7
199.18164	12.0
200.18442	0.6
209.16626	0.8
212.14084	1.0
214.15656	1.4
225.16019	2.2
228.22469	0.7
233.06650	0.7
238.15506	1.5
239.15201	0.6
241.04991	2.0
242.05754	1.0
243.17148	3.2
245.13757	0.7
257.08102	4.1
270.21860	22.1
270.24808	1.2
271.22180	1.6
293.08881	1.3
314.20840	2.5
325.20218	1.0
327.24210	3.0
369.24985	0.8
371.23044	0.6
379.57693	0.6
384.81393	0.7
413.24026	100.0
414.24326	11.4
439.25705	2.1
457.26630	19.2
458.26938	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	457.1716
Annotation	Foliachinenoside B1
Peak:m/z	Relative Intensity
50.69796	0.8
57.03437	3.8
58.00583	3.0
59.01380	77.8
59.35082	0.9
60.01702	0.9
61.40391	0.9
61.98830	6.5
68.99800	1.3
69.03445	4.8
69.79806	4.4
71.01382	79.4
72.99300	4.3
73.02958	5.8
81.03451	3.1
83.01378	3.6
85.02943	10.4
87.00871	4.3
89.02446	100.0
90.02768	2.3
93.03480	1.2
95.01385	2.2
96.96012	1.1
97.02970	6.0
99.00855	1.6
99.04500	1.4
101.02441	17.6
109.02956	1.2
111.00857	3.4
113.02449	11.6
119.03500	5.6
123.04523	0.9
125.02441	18.7
126.02745	1.0
131.03497	18.3
135.04489	1.3
143.03435	1.7
147.04500	1.4
148.05307	60.8
149.04561	20.5
149.05602	1.6
150.04826	1.0
163.03929	1.1
163.07654	21.7
173.04443	2.7
191.05626	8.1
233.06618	2.8
266.70703	1.0
293.08789	11.0
294.09305	1.0
325.20142	3.7
337.07187	1.6
443.34808	1.2
457.17288	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	457.1715
Annotation	Foliachinenoside B1
Peak:m/z	Relative Intensity
54.19432	0.5
55.01867	1.5
57.03449	2.7
57.62338	0.5
58.00600	2.9
59.01380	78.1
60.01702	1.3
61.98832	4.1
66.45361	0.5
67.01898	0.7
67.26959	0.6
69.03457	4.9
69.48463	0.6
71.01382	81.3
71.52866	0.7
72.99313	3.0
73.02946	6.6
75.00877	0.7
75.04323	0.5
79.01852	0.6
81.03448	3.5
83.01405	3.2
85.02953	9.3
86.00068	0.6
86.82568	0.5
87.00883	4.6
89.02445	100.0
90.02773	2.4
93.03458	0.9
95.01382	1.7
97.02959	6.6
98.20515	0.6
98.63040	0.6
99.00880	1.6
99.04525	1.2
101.01790	1.2
101.02443	15.8
106.05824	0.5
107.01430	1.4
107.19951	0.5
109.02949	1.9
111.00915	3.6
111.04479	0.6
113.01729	0.9
113.02460	10.7
115.04062	0.9
119.03508	3.6
121.02949	0.9
125.02449	22.2
130.08771	1.2
131.02557	1.1
131.03502	18.3
135.04550	0.9
137.02452	0.6
139.03998	0.9
143.03481	2.5
147.04504	1.0
148.05315	59.8
149.04578	21.5
149.05646	2.5
150.03247	0.6
150.04842	0.8
161.04599	1.0
163.04034	0.9
163.07658	20.8
164.07896	0.9
173.04619	3.3
177.01888	0.6
179.10776	0.8
191.05623	6.8
197.11771	0.9
205.04884	0.6
233.06653	3.5
262.19611	0.6
279.92639	0.6
293.08789	9.4
309.07266	1.1
316.41074	0.6
325.20251	2.6
337.06918	1.9
413.27817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77153	0.4
58.00571	0.6
59.01381	20.3
62.13043	0.4
66.98747	0.4
71.01377	0.8
72.99312	2.3
84.99335	1.2
87.00880	3.4
98.19867	1.1
103.00380	5.5
105.26192	0.6
112.98156	0.4
112.98818	13.2
119.05032	69.8
120.05370	1.9
130.99857	1.7
131.47157	0.5
148.64125	0.6
163.04012	100.0
164.04330	3.5
177.31085	0.5
201.43936	0.5
284.88077	0.5
325.09274	19.0
326.09445	1.3
406.91251	0.6
457.09818	3.4
457.16235	1.1
467.65887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76822	0.4
53.09704	0.4
59.01389	2.4
64.60175	0.5
66.04407	0.5
71.01402	1.4
72.99294	0.5
73.02946	0.8
85.03019	0.6
89.02454	0.8
93.03486	0.7
99.00887	1.6
101.02473	0.7
112.98829	0.8
117.03468	0.9
119.05035	100.0
120.05354	4.0
139.39253	0.5
145.02942	2.1
163.04016	53.5
164.04399	2.0
192.92337	0.5
205.05000	1.1
229.57162	0.7
253.28348	0.5
325.09354	1.9
421.20847	0.5
457.13519	55.6
458.13879	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	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42283	0.4
59.01377	4.9
66.02121	0.4
67.16545	0.4
69.24306	1.3
69.24726	2.6
71.01374	0.5
72.99310	1.1
78.95889	0.5
84.99335	0.7
87.00874	4.9
93.03473	0.6
96.96011	2.2
96.96985	1.0
103.00369	3.0
112.98810	8.6
119.05028	88.6
120.05363	3.1
130.99854	1.3
135.04514	3.9
144.83385	0.4
147.24782	0.4
163.04005	100.0
164.04347	4.5
173.04520	1.0
173.41109	0.4
177.19263	0.4
179.03529	1.0
185.08546	0.4
191.05644	0.6
297.09863	1.0
325.09271	14.5
326.09595	0.9
457.09525	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.2
59.01382	61.7
60.01715	0.8
61.33701	0.7
68.11527	0.8
69.11141	0.7
71.01375	1.7
71.28074	1.6
72.57542	0.7
72.99303	5.6
78.80925	0.7
84.99330	4.1
87.00879	12.2
87.17109	0.7
89.02450	2.8
96.68555	0.9
96.95992	0.8
101.02446	2.1
103.00377	24.5
103.01078	1.3
112.98817	59.6
113.02465	1.3
113.99160	0.8
119.05031	64.3
120.05401	2.2
130.99873	8.7
139.58298	0.8
158.79617	0.7
163.04015	100.0
164.04359	3.9
189.12843	0.9
277.11060	0.9
325.09320	8.8
457.09995	6.3
457.17252	7.8
458.10107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01374	2.3
61.98833	100.0
62.83524	0.6
65.26977	0.6
71.01375	1.1
78.44031	0.5
88.46537	0.6
98.19857	1.7
107.62497	0.5
113.02464	0.6
151.76334	0.5
153.31375	0.6
228.16972	0.7
271.08252	0.6
289.34299	0.6
396.19492	0.9
456.15482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27141	0.6
59.01377	10.4
59.98568	0.6
71.01378	1.6
72.99307	2.2
78.95893	4.8
84.99304	1.3
87.00871	7.1
89.02436	1.0
96.96012	14.3
96.96946	6.3
98.19890	1.5
103.00392	5.5
110.00519	0.7
112.98808	20.3
113.02482	1.3
114.93468	0.6
119.05026	76.7
120.05347	2.8
123.04523	4.9
130.99864	2.9
135.03494	1.4
135.04521	25.0
149.02521	0.7
153.05579	6.7
161.22075	0.7
162.84590	0.6
163.04007	100.0
164.04352	3.8
173.40057	0.6
191.05524	1.1
197.04535	0.9
274.65073	0.6
297.09830	1.3
325.09164	4.2
329.08890	1.1
337.89432	0.7
359.09796	11.7
360.10040	1.0
364.82330	0.6
452.94153	0.8
457.10013	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	456.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98835	100.0
69.43901	3.0
71.01396	0.8
77.78368	0.4
93.24347	0.4
100.54403	0.4
109.40534	0.4
133.80235	0.5
173.04607	0.4
181.40547	0.5
282.05460	0.6
311.05710	1.5
411.97565	0.5
457.11472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1711
Annotation	Kushenol G
Peak:m/z	Relative Intensity
52.43290	1.2
59.01363	3.6
61.98822	5.0
64.01266	1.2
69.74369	1.1
71.52335	1.2
81.03490	1.1
82.54818	1.1
83.01391	2.7
83.05035	1.3
90.66270	1.3
93.03487	1.4
95.05028	3.7
97.02940	2.4
107.05026	2.1
108.02185	1.8
109.02948	26.3
119.05029	1.4
121.02956	2.5
121.06584	2.6
122.03714	1.4
123.04527	38.6
125.02457	2.8
135.04559	1.4
139.03938	1.3
145.02930	1.9
145.06606	1.2
147.04558	2.4
149.02432	10.1
149.06029	1.1
151.04013	13.6
159.04527	1.6
161.02443	4.3
161.05960	2.6
163.04007	4.8
165.01918	2.3
165.05579	5.5
175.03995	2.0
177.01900	1.5
177.05602	2.7
187.03986	1.6
189.01907	8.9
189.05553	4.3
190.02660	2.4
191.03497	2.7
193.05075	2.4
203.03497	3.1
203.07109	1.9
205.05032	9.7
207.06560	1.2
215.03535	2.4
233.04572	6.1
247.06093	1.9
249.10947	1.1
285.11337	2.0
291.12323	4.7
303.12347	2.3
313.07123	4.8
331.11874	19.1
339.08798	3.9
345.13449	2.6
393.13553	2.6
455.17105	100.0
456.17490	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	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	0.5
61.98830	100.0
66.85831	0.3
68.78905	0.4
71.14862	0.9
80.96508	0.6
96.96068	0.4
184.91364	0.4
240.49419	0.4
408.33945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44744	0.4
57.03450	100.0
58.03793	1.0
59.01381	97.9
59.07336	0.5
60.01723	0.8
61.98831	6.6
62.84240	0.4
71.01390	3.1
71.52793	0.5
71.53181	0.7
73.02953	1.4
81.03460	3.0
83.01405	1.1
85.02956	2.2
99.04520	97.5
100.04877	1.9
101.02443	17.9
109.02930	1.2
113.02422	1.1
125.02448	36.9
126.02746	0.5
135.04407	0.4
142.14381	0.5
143.03488	2.1
145.52641	0.5
149.02478	0.4
161.04565	1.3
173.04509	0.8
216.00705	0.6
224.67668	0.5
269.10220	1.9
311.11301	1.5
381.05807	1.4
477.41193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77983	0.5
55.60558	0.5
61.98832	100.0
92.06499	0.5
93.64375	0.5
98.20663	1.3
204.91245	0.5
217.09764	0.6
229.17419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
57.03434	5.5
58.00588	4.8
59.01381	100.0
61.98832	9.6
71.01384	88.9
72.99320	12.1
73.02950	21.8
81.58727	2.2
83.01392	13.6
85.02947	34.6
86.00134	2.4
87.00876	6.4
89.02449	72.2
95.01392	7.9
97.02914	2.4
98.20647	6.0
99.00877	8.2
101.02445	98.1
113.02457	38.5
119.03495	32.2
119.45710	2.3
119.53554	2.2
123.04510	2.1
124.71993	2.3
125.02448	4.7
131.03490	4.9
137.02414	2.9
143.03455	7.8
149.04605	2.7
159.03001	2.6
161.04524	13.4
179.05576	11.5
202.14833	2.3
236.38803	3.0
291.18124	41.3
292.18552	3.4
313.73880	2.4
453.23425	79.3
454.23773	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	451.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01495	1.5
54.55732	1.5
59.01379	100.0
61.98838	2.9
67.97154	1.5
71.06407	2.0
71.06749	2.9
73.80634	1.4
78.95874	2.6
80.96516	2.9
81.03464	3.7
83.05028	13.4
96.96009	3.4
120.55102	1.6
131.38551	1.4
178.66850	1.8
259.15494	2.1
278.59390	1.4
346.10358	1.6
391.29630	37.5
392.29971	4.7
451.15787	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	452.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93535	1.4
53.87943	1.3
61.98830	100.0
68.76218	1.3
70.48673	4.7
98.55122	1.4
165.12825	7.0
183.13901	18.5
184.14197	1.9
227.10736	3.0
227.12891	42.5
228.13239	1.5
389.18079	4.6
444.80087	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	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35072	0.3
65.88815	0.2
70.44543	0.9
78.95904	21.7
122.00114	0.8
134.98558	0.3
140.01196	4.7
142.73749	0.2
152.99602	2.1
171.00652	0.4
191.21230	0.2
196.03789	9.5
197.04210	0.2
209.80614	0.2
214.04848	2.0
237.71938	0.3
255.23286	100.0
256.23639	8.5
258.40451	0.2
452.27814	26.4
453.28152	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39919	0.4
58.23900	0.5
59.01367	1.1
60.01313	0.4
61.98799	0.9
71.52053	0.7
78.95901	100.0
94.60987	0.5
96.96953	7.8
140.01170	0.5
151.07454	0.5
152.99574	17.0
171.00638	18.8
210.64140	0.5
214.04874	0.8
255.23329	5.8
256.23645	0.6
378.24243	2.3
452.27808	59.1
453.28137	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	451.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62385	1.1
59.01380	100.0
61.98827	3.4
70.08192	1.6
70.08532	4.5
78.95911	1.6
80.96497	2.0
81.03465	3.1
83.05027	12.4
95.35854	1.1
96.96008	3.5
101.34500	1.1
105.71198	1.1
114.14954	1.3
269.46527	1.4
389.27011	2.2
391.29636	39.8
392.29843	4.5
451.27017	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	451.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04295	1.6
57.03458	2.9
59.01381	21.7
60.56037	1.4
61.98831	48.4
62.46134	1.5
67.01905	2.5
69.03454	2.5
69.20482	10.4
69.20905	6.3
70.70250	1.7
71.01382	5.7
71.05010	1.7
81.03469	5.1
83.01391	10.4
83.05065	3.1
85.02967	6.1
89.02458	3.0
93.03481	8.1
95.01417	4.1
95.05045	4.9
97.02956	12.2
98.20605	3.2
99.00933	2.4
101.02448	3.6
101.84219	2.0
107.05058	2.3
108.02196	7.4
109.02950	77.0
110.03309	3.0
110.68587	1.5
113.02431	2.3
119.05041	4.3
121.02949	10.7
122.03770	9.5
123.04532	39.4
124.01711	2.2
125.02444	28.7
126.61503	1.7
127.04066	1.5
133.02991	6.4
134.03737	23.2
135.04538	23.2
137.02451	45.6
138.03227	3.6
139.04005	14.1
145.03020	5.9
146.03723	4.8
147.04561	7.1
149.02437	26.5
149.06047	18.5
150.03209	3.6
151.04016	35.2
152.07097	2.3
159.04509	7.9
160.05321	3.9
161.02449	17.6
161.06050	12.9
162.03154	3.7
163.04024	12.3
164.01166	7.3
164.04764	2.3
164.07048	1.9
165.01932	17.2
165.05531	3.0
167.03546	2.6
173.04578	13.9
173.05991	2.2
174.03261	2.1
175.04008	4.8
175.07704	4.8
176.01166	3.3
177.01924	21.5
177.05550	3.5
179.03514	23.8
185.06049	2.7
187.03992	9.4
188.04752	9.8
189.01907	15.5
190.02704	5.5
191.03540	11.3
191.05637	22.5
197.06075	3.1
199.07739	3.0
201.05573	3.0
202.06384	7.2
203.03535	5.1
203.07118	25.8
205.01393	2.3
205.05031	23.5
213.05598	6.4
215.07106	32.2
216.00706	2.8
216.07587	1.8
217.01451	7.1
217.08681	2.6
219.03053	3.4
221.08279	3.8
225.05537	2.1
227.07181	5.1
231.03003	7.0
245.08170	23.6
246.08684	2.6
247.05992	4.0
257.08157	11.6
271.09735	2.3
283.06308	1.8
283.09811	2.0
287.09354	4.4
289.07178	100.0
290.07611	7.4
297.07855	2.5
299.09250	2.2
301.07153	72.3
302.07547	5.1
305.33563	1.7
306.41672	1.8
315.08743	15.5
327.08752	2.2
341.06674	40.2
341.10358	3.2
342.07080	3.7
353.08640	4.4
407.15015	6.8
451.14142	72.8
452.14508	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
61.98824	1.6
69.16796	6.2
71.53739	0.5
81.03476	0.9
91.01881	0.6
93.03469	1.0
95.05029	1.1
97.60901	0.6
98.20617	1.0
101.02474	0.6
108.02168	0.8
109.02956	31.2
109.14776	0.6
110.03291	1.0
117.03448	1.1
119.04987	0.8
121.02973	1.3
123.04532	12.0
125.02460	0.7
130.33246	0.5
133.02982	7.0
134.03751	4.3
135.04535	1.8
137.02437	4.9
145.02989	1.0
147.04535	1.8
149.02432	1.8
151.04016	8.8
159.04541	1.9
161.02455	9.4
161.06122	0.6
162.03210	9.1
163.04002	8.0
173.02414	0.6
173.04564	0.7
175.03993	1.1
176.01151	0.9
177.01933	42.4
178.02275	1.6
187.04018	4.0
188.04877	2.8
189.01933	41.5
190.02693	16.6
191.03458	3.2
203.03496	0.7
216.00662	7.4
217.01413	12.7
218.02049	2.6
219.02969	7.2
222.01707	1.7
227.07246	1.6
229.05008	0.8
229.08684	2.6
231.02928	3.8
232.03764	1.1
237.05463	0.9
254.05949	0.8
255.06660	0.9
257.04483	1.9
264.04169	0.7
265.05096	0.6
269.08307	1.4
279.06555	0.6
281.04529	12.5
282.05252	1.4
287.05658	5.5
289.07114	2.7
297.07663	7.1
299.05609	26.8
300.05893	2.4
323.05777	0.9
341.06659	100.0
342.06958	9.7
451.10358	19.2
452.10681	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98825	0.4
58.13095	0.4
69.31798	4.1
71.48337	0.4
83.01351	0.5
91.01891	0.6
95.04976	1.0
103.05469	0.5
105.03477	0.7
109.02952	24.0
117.03497	0.5
118.55965	0.5
119.05014	0.7
121.02924	0.8
123.03634	0.6
123.04517	11.4
131.05064	0.5
133.02953	4.4
134.03781	0.5
135.00902	0.5
135.04475	1.0
137.02408	1.7
145.02928	1.8
145.08127	0.5
147.04541	2.7
148.01746	0.5
148.46507	0.5
150.03172	1.1
151.04030	6.5
159.04514	0.8
161.02446	5.8
162.03232	2.5
163.04001	2.6
175.03966	0.6
176.01158	1.0
177.01932	25.7
178.02205	1.4
187.03978	2.1
188.04735	0.6
189.01935	46.0
190.02679	12.1
191.03506	8.6
192.03729	0.6
203.03473	4.4
216.00633	7.5
217.01405	24.9
218.02061	2.2
219.02985	10.5
227.07072	0.7
229.08647	0.7
231.02974	7.5
233.04520	1.1
237.05533	0.7
245.08127	0.7
254.05716	0.5
257.04639	0.7
264.04526	0.6
279.06879	0.5
279.18048	0.5
281.04575	4.4
287.05566	1.4
289.07239	1.8
297.07654	2.9
299.05667	5.7
300.06046	0.7
318.08752	0.5
323.05621	1.2
341.06653	100.0
342.07004	9.6
450.65286	0.6
451.10352	21.4
452.10828	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17764	0.3
59.01380	4.1
61.98827	3.9
63.10191	0.3
64.53682	0.3
65.00325	0.6
70.75919	0.3
71.01375	2.7
71.53030	0.4
73.02943	0.9
76.62762	0.3
80.96542	0.3
81.03435	0.5
83.01393	0.5
85.02962	1.2
88.88719	0.3
89.02429	1.3
89.03959	0.5
91.01910	0.4
93.03465	0.9
94.88878	0.3
95.01382	0.4
95.05008	1.2
97.02939	0.4
101.02442	1.7
103.05541	0.5
105.03410	0.3
108.02158	0.7
109.02951	29.1
110.03264	1.5
113.02456	1.0
117.03447	1.4
119.05025	1.7
121.02976	1.2
122.03745	0.4
123.04526	13.2
124.04798	0.3
125.02451	1.0
133.02957	4.6
135.00916	0.4
135.04518	3.2
136.04906	0.4
137.02417	0.9
139.03961	0.3
145.02957	2.1
147.04526	4.5
149.02422	1.0
150.03226	1.6
151.00343	1.0
151.04012	6.4
152.00691	1.0
153.01961	0.4
157.06561	0.6
159.04530	1.5
161.02444	5.9
161.04579	0.9
162.03075	0.6
163.03979	1.3
171.17262	0.3
173.04549	2.0
175.03943	0.7
176.01146	1.0
177.01921	27.5
178.02206	1.6
179.03476	1.4
187.03990	1.4
188.04718	0.4
189.01923	59.9
190.02652	11.6
191.03502	10.9
191.05539	1.5
192.03838	0.5
201.01909	0.7
201.15114	0.4
203.03479	5.7
204.03757	0.4
216.00620	8.4
217.01398	34.7
218.01915	3.6
219.02972	13.5
220.03297	0.7
231.02994	10.2
232.03535	1.7
233.04495	0.9
245.08189	0.4
281.04465	1.1
287.05627	1.1
288.05981	0.5
289.07104	3.1
289.12015	0.8
297.07617	0.9
299.05582	2.9
319.11868	0.9
323.05496	1.6
329.06924	0.3
341.06641	100.0
342.06943	10.3
391.23318	0.6
451.10367	25.7
451.15750	0.9
452.10663	4.4
452.16354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86834	0.4
56.18290	0.4
57.67394	0.4
69.38915	1.6
69.39342	1.9
84.09882	0.5
95.05035	0.9
103.05590	0.6
105.03467	0.6
108.02217	0.8
109.02947	25.1
110.03288	0.7
117.03432	0.7
121.02965	0.8
122.03707	0.7
122.35928	0.4
123.04539	8.8
125.02478	0.6
131.05054	0.4
133.02954	4.2
134.03773	0.5
135.04492	0.5
145.02951	1.4
147.04530	2.3
149.02423	1.4
151.03999	7.2
159.04518	1.3
161.02431	7.3
161.06129	0.5
162.03198	2.0
163.03920	0.9
175.03967	0.7
176.01143	1.6
177.01927	25.1
187.03983	3.3
188.04750	1.8
189.01926	26.9
190.02699	8.9
191.03470	4.5
203.03528	2.3
213.05486	0.6
216.00600	6.3
217.01411	16.1
218.02036	2.6
219.02991	7.2
220.03439	0.6
222.01747	1.3
227.06909	0.9
229.08698	2.2
231.02974	5.2
232.03743	1.0
245.08110	0.8
253.05006	0.8
265.04929	1.0
269.08160	0.5
279.06509	0.5
281.04526	8.2
282.05157	1.4
289.07150	2.0
297.07639	5.5
299.05545	2.1
314.18472	0.5
323.05753	1.0
341.06641	100.0
342.06989	11.0
451.10300	13.6
452.10678	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	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10688	0.8
53.63299	0.8
54.82183	1.1
57.34266	0.9
61.98808	0.9
62.87064	0.8
72.99697	0.8
93.03445	0.9
93.61506	1.0
95.04982	1.4
103.05554	1.1
109.02956	29.0
115.35507	0.8
117.87130	0.8
121.02988	1.5
123.04545	14.9
130.64580	0.9
133.02957	3.8
145.02940	2.1
147.04546	5.1
151.04015	6.5
159.04524	1.1
161.02495	7.8
162.03214	1.1
176.01181	1.6
177.01936	25.3
178.02293	1.8
189.01942	62.3
190.02661	13.7
190.64183	0.9
191.03506	11.4
193.47673	0.9
203.03537	6.9
211.45415	0.9
216.00629	10.4
217.01414	41.2
218.02010	5.1
219.02992	17.0
220.03329	1.0
226.05666	0.8
231.00958	1.2
231.03015	14.9
232.03416	1.9
233.04451	1.4
289.07224	1.7
323.05649	2.6
341.06662	100.0
342.07050	8.7
451.10309	22.6
452.10715	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31148	0.4
59.01377	0.7
60.61958	0.5
61.98830	0.6
69.41742	1.0
69.42157	2.7
70.68430	0.4
84.21033	0.5
89.03955	0.7
95.05039	1.0
108.02155	0.7
109.02952	28.0
110.03288	0.8
117.03456	0.8
119.05014	0.6
121.02950	0.9
123.04527	12.7
133.02979	3.2
135.04500	1.1
137.05104	0.5
145.02946	1.7
147.04521	3.2
149.02437	0.6
150.03229	1.3
151.00307	0.7
151.04019	7.1
153.00883	0.7
159.04497	1.8
161.02451	6.1
163.03955	0.5
176.01210	0.9
177.01933	24.4
178.02278	0.8
187.04012	1.5
189.01935	55.6
190.02669	12.2
191.03490	11.3
192.03873	0.6
203.03482	6.1
204.03786	0.7
212.90614	0.5
216.00633	8.2
217.01410	35.3
218.02054	3.0
219.02988	12.8
220.03294	1.0
231.02974	10.7
232.03481	1.2
233.04512	1.0
266.76547	0.5
281.04453	0.7
287.05508	0.8
288.05844	0.5
289.07251	2.6
323.05569	1.7
341.06650	100.0
342.07001	9.9
445.16370	0.7
451.10345	25.2
451.32730	1.3
452.10666	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	451.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95891	0.3
79.95753	1.8
85.02934	0.4
86.89868	0.2
96.96009	100.0
105.02688	0.2
109.02928	0.5
123.04479	0.3
135.04533	3.0
137.02451	0.2
161.02486	0.4
163.79910	0.2
179.03496	2.2
189.01976	0.3
191.05615	4.6
203.07045	0.2
217.01453	0.2
229.16118	0.3
289.07050	0.4
337.81381	0.3
341.06662	0.9
353.08774	4.5
368.34961	0.2
407.38654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18716	0.3
59.01375	0.8
71.01384	0.7
71.52187	0.4
78.92875	0.3
79.95723	2.1
85.02954	0.7
93.03456	2.7
94.71393	0.3
96.96010	100.0
97.95952	0.6
98.95589	0.4
109.02956	1.1
111.04515	0.3
114.60931	0.3
115.92110	0.3
123.04547	0.7
125.02422	0.5
133.02956	0.7
135.04515	6.1
136.04878	0.4
137.02428	1.1
155.03491	0.4
161.02452	0.5
161.06024	0.6
173.04538	10.8
174.04886	0.4
177.01900	0.4
179.03493	7.2
180.03769	0.3
191.05623	4.3
191.36269	0.3
203.07101	0.6
245.08157	0.8
289.07147	4.1
306.07516	0.3
331.08170	0.7
353.08752	7.0
389.01196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
71.01383	0.7
78.95925	0.3
79.95737	2.7
85.02953	1.2
87.00873	0.4
93.03471	1.2
96.96014	100.0
97.02933	0.4
98.20741	0.7
99.92544	0.4
101.02445	0.3
109.02953	1.2
111.04519	0.4
113.02464	0.6
115.92105	0.4
123.04551	0.8
125.02468	0.4
133.02921	0.7
135.04506	2.8
137.02463	1.1
151.04007	0.6
160.04031	0.9
161.02461	0.7
173.04558	3.7
177.01932	0.5
179.03526	2.8
182.61533	0.3
187.03918	0.4
189.01886	0.4
191.05612	10.9
203.07146	0.5
205.04999	0.3
234.78676	0.3
245.08176	0.5
249.06050	0.3
260.96988	0.3
267.07123	0.5
289.07159	2.8
341.06705	1.2
353.08804	4.7
354.09305	0.5
451.09558	0.5
451.14740	0.5
451.32065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
60.01756	0.2
61.98833	14.5
65.00319	1.4
66.00653	0.5
67.01912	0.2
69.29794	1.5
71.01381	0.7
81.03461	0.7
83.01398	0.7
83.05042	1.6
83.28501	0.1
85.02988	0.2
87.00886	0.2
89.02455	0.2
89.03985	0.6
90.20139	0.2
91.01894	0.3
93.03484	0.4
95.05035	1.0
101.02459	0.5
103.05520	0.4
105.03463	0.4
107.01402	2.6
108.01717	0.6
108.02291	0.5
109.02960	22.5
110.03286	0.2
116.05073	0.3
117.03460	1.1
119.05031	0.9
121.02979	0.9
122.03725	0.3
123.04535	11.1
125.02460	0.9
127.04041	0.2
133.02963	4.0
134.03699	0.4
135.00894	0.7
135.04532	9.8
136.04858	5.4
137.02481	0.3
137.05107	0.2
144.04570	0.6
145.02948	1.9
146.03828	0.2
147.04521	3.9
148.01672	0.4
149.02431	0.7
150.03210	0.9
151.00380	10.4
151.04013	5.5
152.00729	5.4
152.02005	0.2
153.00821	0.2
158.03828	0.2
159.04538	1.2
161.02457	6.2
161.04510	0.3
161.05954	0.2
162.03204	0.6
163.04008	0.5
173.02444	0.5
173.04544	0.3
175.00356	0.7
175.03990	0.6
176.01048	1.2
177.01939	21.5
179.03479	0.3
187.03970	1.2
188.01167	0.4
188.04788	0.2
189.01939	50.0
190.02722	10.4
191.03506	10.0
201.01866	0.4
203.03510	6.2
203.08273	0.7
205.05037	0.4
207.14987	0.2
216.00641	7.6
217.01421	33.1
218.02228	1.8
219.02983	12.6
224.17775	0.3
225.16010	0.6
227.07112	0.2
228.13235	0.4
231.02986	9.9
232.03735	0.8
233.04597	1.2
243.09380	0.2
245.08089	0.3
252.86832	0.2
255.06573	0.3
279.06516	0.2
281.04535	0.8
286.04321	0.3
287.05652	5.5
287.14926	0.7
288.05972	12.6
288.15292	1.0
289.07031	1.9
297.07672	0.8
299.05469	0.3
305.04770	0.3
323.05612	1.2
333.22977	0.2
341.06659	100.0
355.16739	0.2
390.21777	0.3
391.23404	0.3
409.79614	0.2
433.31863	0.3
450.10309	0.9
451.10376	23.9
451.32913	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
60.01756	0.2
61.98833	14.5
65.00319	1.4
66.00653	0.5
67.01912	0.2
69.29794	1.5
71.01381	0.7
81.03461	0.7
83.01398	0.7
83.05042	1.6
83.28501	0.1
85.02988	0.2
87.00886	0.2
89.02455	0.2
89.03985	0.6
90.20139	0.2
91.01894	0.3
93.03484	0.4
95.05035	1.0
101.02459	0.5
103.05520	0.4
105.03463	0.4
107.01402	2.6
108.01717	0.6
108.02291	0.5
109.02960	22.5
110.03286	0.2
116.05073	0.3
117.03460	1.1
119.05031	0.9
121.02979	0.9
122.03725	0.3
123.04535	11.1
125.02460	0.9
127.04041	0.2
133.02963	4.0
134.03699	0.4
135.00894	0.7
135.04532	9.8
136.04858	5.4
137.02481	0.3
137.05107	0.2
144.04570	0.6
145.02948	1.9
146.03828	0.2
147.04521	3.9
148.01672	0.4
149.02431	0.7
150.03210	0.9
151.00380	10.4
151.04013	5.5
152.00729	5.4
152.02005	0.2
153.00821	0.2
158.03828	0.2
159.04538	1.2
161.02457	6.2
161.04510	0.3
161.05954	0.2
162.03204	0.6
163.04008	0.5
173.02444	0.5
173.04544	0.3
175.00356	0.7
175.03990	0.6
176.01048	1.2
177.01939	21.5
179.03479	0.3
187.03970	1.2
188.01167	0.4
188.04788	0.2
189.01939	50.0
190.02722	10.4
191.03506	10.0
201.01866	0.4
203.03510	6.2
203.08273	0.7
205.05037	0.4
207.14987	0.2
216.00641	7.6
217.01421	33.1
218.02228	1.8
219.02983	12.6
224.17775	0.3
225.16010	0.6
227.07112	0.2
228.13235	0.4
231.02986	9.9
232.03735	0.8
233.04597	1.2
243.09380	0.2
245.08089	0.3
252.86832	0.2
255.06573	0.3
279.06516	0.2
281.04535	0.8
286.04321	0.3
287.05652	5.5
287.14926	0.7
288.05972	12.6
288.15292	1.0
289.07031	1.9
297.07672	0.8
299.05469	0.3
305.04770	0.3
323.05612	1.2
333.22977	0.2
341.06659	100.0
355.16739	0.2
390.21777	0.3
391.23404	0.3
409.79614	0.2
433.31863	0.3
450.10309	0.9
451.10376	23.9
451.32913	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50863	0.6
57.32631	0.5
59.01107	1.0
59.01385	13.8
60.01718	1.1
60.98684	0.5
61.98833	100.0
64.84068	0.5
71.01385	4.0
72.01704	0.6
73.02957	0.8
78.37717	0.5
85.02955	1.0
89.02446	2.8
99.46003	0.7
101.02472	2.2
103.30735	0.5
109.25562	0.5
113.02466	1.0
119.03510	1.2
135.04544	0.9
151.00432	0.7
161.04512	0.9
164.04213	0.6
173.04546	1.5
264.19861	0.6
300.05389	0.6
328.05634	1.0
329.06055	0.7
330.06070	1.9
331.75784	0.6
341.06781	1.0
360.07220	0.7
389.21799	0.7
390.22137	5.3
391.23679	0.7
450.10941	1.8
451.10419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.1
59.01380	10.2
61.98833	100.0
62.71165	0.8
70.26998	1.8
70.27373	1.4
71.01373	1.2
81.03438	2.2
83.01383	0.9
89.02433	1.5
93.03503	1.8
99.04529	2.5
101.02424	1.1
109.02966	1.1
114.72807	0.8
117.03456	1.4
118.03747	0.8
125.02450	5.1
126.02734	2.2
137.02409	1.5
167.03511	12.4
168.03813	6.6
168.92509	0.9
173.04555	7.6
174.04846	4.2
197.04536	2.2
198.04871	1.5
232.24939	0.8
276.68079	0.9
330.06961	2.5
360.07925	1.2
390.22070	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15368	0.5
55.88571	0.5
59.01381	17.1
60.01714	0.7
61.01804	0.6
61.98831	100.0
69.95116	1.8
69.95527	1.0
70.21318	0.5
71.01398	1.5
85.02973	0.8
89.02453	0.8
98.19967	0.8
101.02447	0.8
102.02787	0.5
109.02986	1.1
113.02416	0.7
113.52531	0.5
125.02406	0.5
133.02966	3.1
134.03328	1.7
135.03513	0.7
135.04538	1.1
161.04611	0.6
167.03542	0.8
178.79829	0.5
213.91008	0.7
228.06578	0.6
285.03867	0.9
286.04266	1.3
287.04559	2.1
288.04987	1.8
297.04150	0.9
297.57822	0.5
298.04391	2.4
299.04999	3.2
300.05402	4.7
301.05927	4.2
302.06277	3.0
313.06210	1.0
314.06583	1.0
327.05023	1.1
328.05438	8.5
329.05658	6.2
330.05920	14.2
331.05930	0.8
340.05386	0.8
341.05603	0.7
342.06033	2.1
358.06427	3.6
359.06888	3.1
360.06955	11.9
361.06982	0.7
389.07922	0.6
390.21524	1.3
391.23465	1.1
432.09201	2.1
450.10129	18.0
451.10397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73007	0.7
56.41723	0.7
59.01380	5.6
60.01701	0.7
61.60899	0.8
61.98831	100.0
62.61132	0.7
69.34024	0.8
71.01400	1.7
85.02971	1.0
87.00928	0.6
93.03448	0.9
94.40408	0.8
101.02480	1.1
109.02949	3.5
123.04510	1.4
133.03011	1.0
135.04544	1.4
137.02446	1.0
149.02484	1.2
151.00381	0.7
151.04047	1.1
156.12386	0.7
161.02449	1.4
162.83942	1.1
163.03983	0.8
173.04594	1.7
177.01936	1.7
189.01945	1.3
190.02684	0.7
235.18976	0.7
244.15425	1.5
262.45557	0.8
287.14017	1.4
288.14447	2.5
289.07111	1.7
329.06650	2.8
330.05954	0.9
341.06726	2.5
451.10614	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	450.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	12.1
59.01369	11.5
61.98529	1.3
61.98825	5.7
65.00329	13.5
66.00666	2.6
66.03479	1.4
68.05077	1.7
69.21969	4.7
69.22401	7.4
71.01402	2.1
71.18791	1.1
71.66644	1.2
74.02477	18.0
82.02966	2.3
83.01386	5.6
84.01731	2.4
86.02471	11.6
87.05618	2.3
88.65769	1.3
89.02455	3.8
93.03469	1.6
97.04081	2.2
99.05646	20.1
101.02402	2.2
101.07203	3.5
102.05611	3.9
107.00713	2.3
107.01395	23.5
107.05040	1.9
108.01717	7.9
109.02984	11.3
109.04086	4.5
110.03325	3.0
111.05631	2.4
112.04059	2.3
113.04311	5.9
123.04529	3.4
125.02454	5.6
125.03596	3.3
127.05154	3.8
128.03545	55.1
131.01390	3.1
132.01700	1.7
133.02925	2.2
135.04539	80.4
135.05629	6.2
136.04860	42.5
137.07181	1.9
141.06715	2.1
143.04622	65.2
143.05757	3.3
145.06175	3.0
146.04642	6.7
151.00374	93.8
151.03906	2.2
151.99483	2.5
152.00717	44.3
153.00821	2.2
153.06689	4.0
155.08183	2.1
161.02446	1.8
166.09904	2.1
167.04616	2.9
167.08261	3.0
170.03331	1.4
171.04024	1.6
175.00391	7.1
176.00700	5.1
177.01930	10.7
177.09561	9.4
178.02336	1.7
179.04630	18.7
180.05052	1.7
181.06160	2.2
185.05649	3.2
189.01956	16.5
190.02757	3.5
191.03427	3.2
192.07776	2.7
197.05624	4.8
203.03542	2.7
210.08849	16.9
210.12129	3.0
216.00520	2.3
217.01385	13.0
219.02966	3.1
228.09993	1.7
231.02954	3.1
236.06772	1.6
254.07846	32.8
269.14059	3.4
270.14346	9.5
272.08878	30.5
285.03635	5.4
286.04242	7.6
287.05692	42.7
288.05963	100.0
289.06256	4.6
321.14777	2.7
341.06659	27.7
432.18066	5.6
450.10211	16.9
450.19312	33.6
451.10425	7.3
451.19598	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	449.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	4.9
69.72651	7.6
93.47865	1.8
96.96040	8.9
111.22016	1.8
135.51692	1.8
139.37192	2.1
173.55736	1.9
193.07176	2.5
255.23288	100.0
256.23654	10.1
329.05753	2.7
449.29703	2.7
449.36224	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05233	0.6
57.55711	0.7
58.47683	0.6
59.01382	79.6
60.01690	0.9
61.98832	10.9
63.02393	2.1
65.00324	7.8
65.03437	0.7
71.01379	3.8
71.52268	1.1
72.87244	0.7
73.02927	1.5
83.01382	3.8
85.02947	1.1
87.04481	1.0
89.02454	2.1
101.02453	2.7
107.00726	1.1
107.01402	15.4
109.02960	7.4
113.02428	2.1
115.61629	0.8
123.04479	1.2
125.02466	4.7
133.02962	1.4
133.58174	0.9
134.03711	1.3
135.04529	62.1
136.04854	2.1
141.15054	0.9
151.00374	100.0
152.00706	3.6
161.02483	2.3
161.04541	1.8
169.01375	0.9
173.04597	1.2
177.01936	5.2
189.01936	1.4
189.32341	0.8
217.01297	1.0
234.95326	0.8
250.38516	0.8
255.02924	1.3
266.12500	0.7
269.04562	1.1
285.04004	1.1
286.04062	1.6
287.05615	79.5
288.05975	6.1
311.05472	1.1
327.05151	1.5
328.05524	1.1
329.05634	4.2
339.05307	2.0
341.06488	1.6
359.06686	2.7
359.20770	2.9
389.21909	4.1
407.07657	2.0
447.31180	0.8
449.10669	13.3
450.11224	1.1
457.85294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01380	100.0
60.01724	1.2
61.98826	2.0
68.16785	0.4
69.03443	0.4
71.01382	6.9
71.01772	0.4
72.99313	0.9
73.02940	1.0
75.00871	1.0
83.01436	0.7
85.02947	2.8
85.06596	0.6
87.00881	0.7
89.02440	8.1
89.02948	0.6
91.19775	0.4
93.03494	1.1
95.01414	1.1
96.96014	1.4
98.19930	0.9
99.00882	0.8
99.04547	0.4
101.02439	4.9
109.02942	2.4
111.04523	0.5
113.02449	4.8
119.03517	2.8
121.02950	2.5
123.04543	0.6
124.99181	1.0
125.02470	1.4
131.03497	0.3
134.01709	0.4
135.04549	1.0
135.09422	0.3
137.02493	0.7
138.81383	0.4
138.95102	0.4
143.03520	0.9
149.02451	0.5
149.04541	0.4
151.04031	0.4
155.10765	0.6
157.06821	0.4
161.02504	0.5
161.04549	3.4
165.01938	2.2
167.03479	0.5
173.04585	1.3
175.03915	0.4
177.01959	1.8
179.05667	1.4
191.05637	1.0
216.04405	0.6
227.16600	1.0
231.06737	2.8
249.06128	1.3
267.07269	1.2
275.05655	2.0
280.00629	0.4
282.18204	0.4
287.05646	1.6
317.19742	0.6
389.21808	5.7
433.20163	0.4
449.10748	1.3
449.16757	3.2
449.24512	0.6
450.17114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78903	0.5
56.91899	0.5
57.03441	1.0
59.01377	100.0
61.98824	1.5
64.35827	0.5
70.27124	1.0
71.01386	4.5
73.02955	1.2
77.08780	0.5
83.01417	1.4
85.02958	2.2
89.02465	0.8
93.03473	1.0
95.01391	0.6
98.20042	0.6
101.02431	4.0
109.02957	1.2
110.88520	0.5
113.02441	1.9
125.02441	7.2
135.04425	0.8
151.00391	1.3
161.04546	4.5
173.04535	5.5
178.99959	0.8
227.16423	0.6
259.06119	4.7
269.04565	4.6
275.05670	0.7
287.05579	3.4
316.75302	0.6
325.58978	0.6
329.06140	0.7
389.21735	4.9
449.10876	5.4
449.16296	0.8
450.11261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.2
59.01380	100.0
61.98831	20.1
63.60929	0.6
65.00333	1.4
67.01890	1.2
69.74890	3.0
71.01378	8.9
71.04975	0.7
73.02953	3.0
81.03468	1.8
83.01376	3.9
85.02936	3.4
89.02459	3.5
93.03460	6.2
94.03799	0.9
95.01457	0.8
95.05042	0.7
97.02996	1.2
98.20544	0.9
99.04546	0.6
101.02449	6.4
107.01420	1.0
109.02996	3.1
109.88415	0.6
111.04546	1.4
113.02442	4.4
117.03455	1.5
119.03526	1.6
121.02967	1.0
123.04510	1.0
124.01645	0.7
125.02448	31.2
126.02799	1.0
133.02936	0.8
135.04530	2.1
137.02487	1.5
139.03986	0.9
143.03503	0.9
149.02440	2.7
151.00374	8.8
152.01048	1.4
153.01962	2.2
154.26584	0.6
155.03535	0.9
155.10800	2.4
159.03018	0.9
159.04483	0.8
161.04553	9.0
163.00360	0.7
165.01942	1.1
165.95250	0.7
167.03513	3.7
173.04555	18.3
173.06027	1.6
174.04942	0.8
177.01978	0.8
177.05600	1.0
178.99847	4.3
179.03496	1.3
191.05679	2.0
193.01442	1.1
201.05476	1.0
215.07115	1.5
216.04166	0.6
225.05580	1.6
227.16479	4.8
231.06676	1.8
239.51053	0.6
243.06526	0.7
259.06091	21.1
260.06345	1.0
269.04538	20.4
269.07236	1.2
270.04733	0.6
275.05725	1.8
287.05600	17.1
287.08600	1.3
288.06088	0.9
297.53381	0.7
329.06433	3.2
359.07104	0.8
389.21817	8.7
431.10071	0.8
449.10895	22.3
450.11121	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01383	100.0
60.01714	1.6
60.88935	0.4
61.98848	2.6
66.15150	0.5
67.01895	1.2
69.52702	2.7
69.81990	0.5
71.01385	6.4
72.99320	1.0
73.02951	1.8
75.00896	1.6
83.01403	1.5
83.64180	0.5
85.02966	5.0
87.00888	1.0
89.02439	2.6
89.23561	0.5
93.03477	1.8
95.01395	1.2
96.96024	1.0
99.00915	1.2
99.04536	1.9
101.02457	5.3
109.02963	7.9
111.04519	0.8
111.08160	1.0
113.02459	4.9
119.03532	1.9
121.02959	3.1
123.04535	0.8
125.02469	1.5
135.04565	2.3
137.02454	1.1
155.03641	0.6
159.03032	0.7
161.02432	0.5
161.04594	4.7
163.04083	1.2
165.01987	1.7
173.04599	3.4
187.04068	1.7
188.04820	1.6
191.05650	4.5
216.04291	2.4
231.06674	8.6
232.07167	0.6
249.06169	2.3
259.06061	1.0
267.07324	2.1
275.05582	9.5
276.06104	0.9
287.05740	1.2
317.19699	0.8
333.04208	0.7
389.21805	16.0
389.26526	0.9
390.22256	2.1
431.15933	1.7
449.10843	3.2
449.16977	7.3
449.23584	1.1
450.17316	1.2
450.80161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01378	2.3
59.27617	0.3
62.96408	24.5
69.48568	1.9
69.48972	0.8
78.95904	62.9
80.97469	34.0
96.96017	0.7
127.55530	0.3
149.00092	16.2
150.00450	0.4
150.89450	0.4
151.01678	0.6
179.01158	1.6
181.02766	0.4
205.15961	9.3
206.16238	0.7
242.98253	5.4
284.66095	0.4
285.12570	2.0
304.94052	0.4
329.05606	1.0
355.16782	20.2
356.17126	2.1
359.06772	0.7
385.17838	24.8
386.18140	2.5
449.14975	100.0
450.15295	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	449.1501
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01391	1.1
62.81210	0.5
62.96412	25.2
66.71215	0.5
67.02431	0.4
69.49759	0.5
71.06491	0.7
71.06802	0.5
78.95908	64.8
80.40668	0.4
80.97472	36.3
90.66418	0.5
108.75189	0.5
113.57130	0.4
133.86960	0.5
141.48251	0.5
149.00104	15.7
150.00452	0.5
179.01169	2.2
205.15968	8.2
241.16272	0.6
242.98315	5.5
285.12579	1.1
355.16797	19.8
356.17136	1.6
385.17856	22.8
386.18213	2.1
449.14963	100.0
450.15305	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	449.1097
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
54.79790	0.9
59.01383	15.6
61.98825	1.8
63.02404	1.2
65.00330	8.6
70.82721	1.9
71.01387	2.8
74.02464	1.7
83.01392	4.4
86.02467	0.8
87.00880	0.9
89.02452	1.9
96.96628	0.8
99.04527	1.5
101.02460	2.0
107.01392	16.4
109.02959	3.4
113.02368	1.1
123.92884	0.9
125.02455	4.8
128.03535	4.3
131.01430	1.6
133.02995	1.9
134.03740	1.5
135.04529	80.5
136.04852	2.8
143.04617	4.7
151.00374	95.8
152.00711	3.2
161.02480	1.8
165.12828	1.1
175.00357	6.8
175.04060	1.1
177.01906	2.7
177.09521	1.1
179.04576	0.9
193.01447	1.3
207.13879	1.6
209.11905	4.4
210.08847	1.7
254.07881	3.0
269.13937	15.9
270.14310	1.5
272.08902	1.8
284.03253	5.5
285.03879	15.6
286.04022	17.1
287.05618	100.0
288.05960	9.9
296.89435	0.9
299.05481	1.1
311.05417	1.5
329.05984	3.1
431.72189	0.9
449.09882	29.7
449.19864	8.7
450.19135	4.3
451.91861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24120	0.3
55.16596	0.2
59.01385	0.3
63.02406	1.6
65.00329	10.1
66.00677	0.2
71.00369	0.6
83.01392	4.4
83.36646	0.2
107.01400	17.1
108.01664	0.3
108.02257	0.4
109.02974	1.3
109.03593	0.2
125.02465	4.4
125.03354	0.4
134.03745	1.1
135.04533	72.6
136.01698	0.4
136.04871	3.2
151.00378	100.0
152.00722	3.3
159.04565	0.5
161.02452	1.4
164.01152	0.7
165.01886	0.5
169.01427	0.6
174.03218	0.3
177.01952	0.7
196.00055	0.4
201.01877	0.3
201.05540	0.3
233.91997	0.2
269.04495	0.5
287.05624	74.1
288.05984	6.2
297.09741	1.4
297.34363	0.3
385.23535	0.2
449.10895	21.6
450.11237	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01385	7.2
61.01790	0.5
61.98832	10.3
62.28988	0.5
68.99799	0.4
69.70260	1.5
69.70667	1.2
71.01388	0.9
71.05030	1.2
75.72147	0.5
81.03458	11.6
83.01385	2.8
84.58550	0.5
85.02937	0.7
89.02486	0.7
93.03458	1.7
95.01383	0.7
95.05035	5.5
97.02962	3.8
99.04527	10.7
101.02489	0.5
109.02986	0.6
109.18555	0.5
111.04536	2.1
113.02443	0.7
117.03472	11.1
123.04517	5.6
124.04914	0.4
125.02450	31.4
126.02805	1.2
133.02924	0.5
135.04565	1.3
137.02452	4.6
139.04048	2.8
149.02489	0.8
151.00337	1.8
151.04010	1.4
152.40363	0.4
154.33365	0.5
161.02451	2.3
165.01941	0.6
165.05583	0.5
167.03496	100.0
168.03804	3.7
173.04547	0.6
179.03543	2.5
193.01392	1.6
197.04552	21.0
198.04886	1.2
209.04567	1.8
235.02455	5.2
265.03555	0.7
269.06726	1.3
287.05322	0.6
287.07834	6.3
301.06021	0.6
327.05161	0.7
329.06635	15.9
330.06808	2.3
354.48822	0.5
355.77734	0.5
359.07544	4.0
360.07712	1.1
389.21396	0.7
449.10239	3.1
461.09653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71455	0.3
58.10005	0.3
59.01363	1.6
61.98831	0.5
63.02394	1.5
65.00323	9.2
66.00632	0.4
69.31896	1.6
69.32304	0.8
83.01392	3.4
101.02431	0.5
102.17017	0.3
107.01392	16.9
108.01692	0.4
108.99372	0.3
109.02937	2.1
124.00713	0.3
125.02448	4.6
130.89967	0.3
133.03012	0.4
134.03752	0.4
135.04526	67.1
136.04868	2.4
137.02448	0.4
151.00368	100.0
152.00700	3.0
161.02475	1.1
165.01854	0.5
169.01425	0.6
177.01953	0.9
201.05508	0.4
269.04465	0.7
285.04211	0.4
287.05603	85.0
288.05945	6.1
346.59271	0.3
421.49625	0.3
432.04727	0.3
449.10889	12.2
450.11472	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	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01381	27.8
60.01707	0.9
61.98832	65.3
63.02407	0.7
65.00317	1.0
67.63602	0.6
71.01385	3.9
71.52535	1.3
72.99324	0.8
73.02939	1.3
77.03944	1.0
81.03459	0.8
83.01376	1.2
85.02946	1.6
87.04513	5.7
89.02428	2.2
91.05630	0.7
97.02946	1.3
101.02456	1.3
107.01357	1.2
109.02948	3.4
110.03316	1.1
113.02444	1.4
119.03524	0.7
119.05022	1.2
121.02937	1.1
122.03315	1.2
125.02443	1.8
127.38888	0.6
127.41628	0.6
133.02957	15.7
134.03259	6.3
134.32208	0.9
135.00848	0.8
135.04523	5.3
145.02965	1.0
147.04547	1.3
149.02391	0.7
151.00348	4.7
158.80748	0.6
161.02414	2.9
161.04570	1.8
162.02773	2.3
162.04897	0.6
163.00386	3.1
163.03987	2.3
164.00751	1.2
164.04388	1.4
165.01912	1.6
165.07820	0.7
166.02261	1.0
175.03998	2.1
176.04341	2.6
177.01897	2.1
178.02249	0.7
178.44888	0.7
191.03572	1.7
192.03889	1.3
193.01543	0.8
194.01912	0.8
197.05728	0.7
199.03912	1.7
200.04367	1.2
201.01921	1.3
202.02272	1.2
204.03728	0.7
212.04430	1.3
214.05832	1.0
223.19518	0.6
227.03419	1.3
227.12895	2.7
227.16370	0.9
228.03995	1.4
239.03549	0.7
241.04736	1.1
242.05434	1.5
252.04089	0.8
253.04865	1.0
254.05466	0.9
255.03012	1.4
256.03522	1.4
256.06879	1.0
257.03946	0.7
268.06961	1.0
269.04425	1.1
270.04932	1.7
284.03329	4.3
285.03790	20.2
286.04376	20.4
287.05566	3.5
297.04037	8.9
298.04428	26.6
299.05298	16.8
300.05927	17.9
301.06213	1.2
310.04303	1.6
312.05945	5.1
317.19644	0.7
325.03244	1.1
326.03796	1.8
327.05096	25.0
328.05432	100.0
329.05661	8.3
339.04919	1.6
340.05389	6.9
342.07056	1.1
357.06140	8.6
358.06485	52.7
359.06595	4.0
369.06186	1.1
370.06537	5.6
382.66760	0.8
388.20850	0.7
389.21976	1.4
394.06311	2.8
407.07657	0.9
430.08682	2.2
448.09641	19.4
449.09595	1.7
452.30066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.2
60.01707	1.3
61.98831	100.0
71.01385	2.7
71.28693	1.5
71.29044	0.8
73.02967	0.9
73.23170	0.7
78.61552	0.8
83.01405	0.8
85.02986	0.7
89.02489	1.4
95.11185	0.7
97.02957	1.4
101.02470	2.3
113.02427	0.8
113.46838	0.7
120.79465	0.7
133.02971	4.8
134.03342	3.0
135.04549	1.4
149.04521	0.8
151.00462	1.0
161.04593	1.8
185.08920	0.7
188.29303	0.8
192.33885	0.9
201.02103	0.9
210.06583	0.7
226.15318	1.0
228.64909	0.8
229.82083	0.8
270.04837	1.1
284.03381	1.7
285.03641	5.9
286.04340	4.8
287.05310	0.8
297.03995	2.5
298.04471	6.7
299.05341	9.1
300.05966	7.2
301.06400	0.9
312.06003	1.6
327.05078	9.8
328.05432	41.7
329.05664	4.0
339.05212	0.9
340.05460	2.0
357.06213	3.2
358.06470	15.8
359.06808	1.1
370.06125	1.0
389.21976	3.6
394.05881	0.8
430.08517	0.9
448.09622	18.6
449.09784	1.6
473.18585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
57.23085	0.6
58.09836	0.5
59.01382	36.5
60.01700	2.3
60.08551	0.5
60.96326	0.5
61.54536	0.6
61.98831	47.0
65.00327	0.8
70.80899	1.4
71.01385	6.4
73.02931	2.8
75.00881	0.8
79.01862	0.8
83.01392	1.7
85.02931	3.2
86.03245	0.7
87.00866	1.4
88.98801	0.8
89.02435	3.4
93.03449	1.3
95.01362	0.7
96.96030	0.8
99.00881	1.0
101.02439	4.6
103.63758	0.5
105.03439	0.7
107.01377	1.3
108.08197	1.3
109.02988	3.5
113.02467	4.0
114.02773	1.0
118.34234	0.5
119.03478	1.2
119.05011	0.6
121.02968	1.6
125.02442	2.4
125.48541	0.6
133.02963	7.8
134.03259	4.1
135.04518	2.6
137.02426	1.4
147.04507	0.8
148.04936	0.6
149.02400	1.7
151.00406	3.2
151.03918	1.0
152.00700	1.8
152.07198	1.6
153.07568	0.8
155.10826	0.6
159.04401	0.8
161.02412	1.3
161.04597	3.2
161.05722	0.6
162.02815	0.6
162.04884	0.9
163.00346	1.4
163.04030	1.0
164.00713	0.7
164.04359	0.9
164.36792	0.6
165.05577	0.9
173.04578	1.5
175.03992	2.1
176.04417	1.4
177.01942	2.0
179.03432	0.6
184.04915	1.2
187.07666	1.5
189.01907	1.3
192.03714	0.6
199.03932	1.5
200.04367	1.0
201.01973	1.0
202.02248	0.7
211.04056	0.7
212.04442	1.1
213.05434	0.9
227.03499	15.7
228.03841	25.0
229.04063	1.5
231.06700	1.0
240.04036	0.8
241.04836	1.2
242.05405	0.9
254.05511	0.8
255.02979	18.7
256.03345	33.4
257.04010	5.5
267.03183	0.6
269.04480	0.9
270.04828	1.2
275.09201	1.2
284.03259	20.5
285.03714	58.9
286.04364	36.6
287.04568	3.2
287.09460	0.8
287.12845	2.3
297.04013	4.2
298.04428	12.1
299.05246	9.7
300.05920	11.6
301.06003	0.8
310.04483	0.9
311.05438	1.0
312.05890	2.7
317.19885	1.0
325.03186	1.2
326.03711	0.7
327.05115	12.2
328.05441	46.1
329.05637	3.2
339.05026	1.7
340.05405	3.1
357.06244	4.4
358.06506	23.0
358.10959	1.4
359.06821	1.5
370.06522	2.5
388.20630	1.3
389.21674	3.9
406.21677	1.1
407.07605	0.9
430.08441	2.2
448.09641	100.0
449.09863	10.5
449.15869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64048	0.4
59.01382	18.9
60.01726	0.8
61.98831	100.0
71.01382	4.3
71.52054	0.8
72.99333	2.5
73.02966	0.8
75.00863	1.0
76.42838	0.4
79.73866	0.4
83.01409	0.4
85.02969	1.3
89.02447	3.7
93.03442	0.5
99.70387	0.4
101.02470	2.3
113.02459	1.9
119.03524	1.2
125.09740	1.8
161.04550	0.6
165.02129	0.5
173.04567	1.2
222.11415	0.5
225.11479	0.5
247.90048	0.4
328.05576	0.9
358.06296	0.8
388.20520	0.8
405.17645	10.7
448.09714	0.5
449.16443	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
58.00599	0.6
59.01379	100.0
60.01717	0.6
61.98829	13.2
69.74236	3.3
71.01381	12.3
73.02948	10.5
74.90197	0.5
83.01382	3.0
85.02947	2.8
87.00904	0.5
89.02443	8.2
95.01347	1.2
99.00893	0.6
99.04539	0.8
101.02441	9.8
109.02987	1.0
113.02442	6.2
119.03498	3.1
125.02531	0.9
131.03471	0.7
133.02930	4.4
135.04562	0.8
143.03537	1.4
149.09737	3.0
150.10130	0.7
161.04520	3.4
163.04021	0.9
167.10796	6.0
179.05627	1.3
181.05045	3.5
193.77296	0.5
193.86693	0.5
196.07356	2.8
211.09698	5.2
225.15092	1.0
241.04950	0.7
269.04474	0.7
270.05490	0.7
284.03366	1.8
285.04221	2.3
297.04102	4.6
298.04791	3.2
299.05563	7.5
311.05731	1.8
315.18161	0.8
317.93500	0.6
327.05054	24.7
328.05600	1.7
339.05298	1.8
357.06100	10.6
357.10217	0.7
358.06494	0.8
359.30603	0.7
369.06253	0.7
387.20233	8.4
394.84940	0.6
429.08737	1.5
447.09305	12.5
448.09683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30632	0.4
59.72169	0.3
62.96412	1.0
65.13689	0.3
71.43410	0.5
78.95906	38.8
96.96964	3.1
133.02942	0.8
138.60057	0.3
149.00092	18.6
158.92548	2.4
179.01183	2.4
205.15961	1.2
297.03995	0.5
298.04779	0.5
299.05722	0.7
327.05099	3.0
347.08234	0.6
357.06189	1.3
417.12390	0.9
431.10324	3.0
447.13428	100.0
448.07535	0.6
448.13788	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87238	0.5
59.01379	100.0
60.01721	1.2
60.85510	0.6
61.98848	0.6
69.16996	5.8
69.17343	0.6
71.01394	5.7
72.99278	0.6
85.02960	1.7
85.59118	0.6
89.02441	7.2
89.97770	0.5
101.02440	4.7
113.02474	2.2
117.51368	0.6
119.03531	3.0
143.03552	0.8
155.99924	0.7
156.37827	0.6
161.04588	2.4
179.05710	0.9
189.12880	1.4
191.91844	0.6
207.13890	0.9
221.99199	0.6
261.74637	0.5
299.05756	0.7
317.26544	0.6
327.05267	1.6
357.06363	0.8
387.20218	5.4
441.20779	0.6
447.09821	1.0
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
57.03420	0.8
59.01379	100.0
60.01730	0.9
61.98839	2.2
65.75888	0.6
71.01384	7.1
71.28687	1.3
72.99335	1.1
72.99773	0.6
73.02946	1.7
77.21123	0.6
83.01393	0.7
85.02978	1.7
87.00873	0.6
87.57616	0.7
89.02444	7.8
94.31536	0.6
97.41577	0.7
101.02460	4.7
113.02464	2.7
119.03481	3.2
133.02933	0.8
161.04549	3.2
179.05637	2.0
189.12889	0.9
287.00296	0.6
297.04111	1.2
298.04916	1.2
299.05716	2.2
327.05118	7.8
335.36115	0.7
357.06161	3.0
387.20203	11.0
388.20795	1.2
447.09494	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	447.0934
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.81386	0.6
59.01387	3.0
63.02404	1.2
65.00347	0.7
70.82449	1.2
74.51308	0.4
79.02908	0.4
79.89356	0.4
83.01396	0.9
83.90476	0.4
85.15165	0.4
100.02316	0.4
101.02436	0.6
107.01405	3.4
109.02977	0.9
120.57536	0.5
121.02929	0.6
132.02225	0.4
133.02971	5.6
134.03746	0.7
135.04607	0.6
149.02409	1.5
151.00371	4.8
163.04008	0.5
171.04457	0.5
175.04002	2.2
177.01909	0.5
187.85733	0.4
194.93140	0.4
198.03215	0.6
199.03996	2.4
200.04675	0.4
207.95644	0.4
211.04005	1.3
212.04753	0.6
213.05432	0.7
214.02643	0.5
215.03491	0.7
215.19818	0.4
217.05104	1.0
221.67772	0.4
227.03452	1.5
239.03540	0.8
241.05026	0.8
243.02969	0.6
251.44719	0.4
255.03079	0.7
256.03763	3.5
257.04437	0.5
283.02487	0.5
284.03259	58.5
285.04016	100.0
286.04373	6.3
297.03836	2.4
298.04721	1.4
299.05539	2.5
327.05072	9.9
328.05646	0.5
339.05090	0.8
357.06146	3.7
400.37274	0.4
429.08231	0.5
447.09293	77.6
448.09610	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
65.00318	0.9
65.11893	0.8
79.01890	1.6
97.02974	1.3
109.02946	2.4
119.05028	1.2
121.02965	1.9
124.73327	0.8
127.24185	0.9
132.02180	1.0
133.02956	14.8
134.03622	1.0
135.04533	1.8
137.02399	1.0
148.92444	0.9
151.00293	1.1
161.02458	2.3
163.00410	2.5
163.03973	2.0
165.01875	2.0
171.51292	0.8
175.04015	3.1
177.01996	1.5
193.01396	1.3
199.03978	2.1
201.01927	1.1
201.64244	0.9
213.05540	1.3
225.05594	0.9
229.05087	1.1
230.72884	1.0
255.06537	1.2
269.04507	1.2
284.03198	4.7
285.04041	13.4
286.04233	1.0
297.04037	21.3
298.04742	15.4
299.05573	25.8
300.05896	2.2
309.04074	1.8
311.05579	5.8
312.02515	0.9
325.03397	1.9
327.05087	100.0
328.05438	10.4
330.04047	1.1
339.05115	8.7
340.05618	1.1
341.06671	2.0
357.06149	60.0
358.06561	5.8
369.06244	2.0
386.50818	1.0
387.07224	1.8
407.90091	0.9
411.07120	1.3
429.08316	10.2
440.21783	0.9
447.09293	72.1
448.09613	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
62.86171	0.4
65.00323	0.6
70.82037	1.0
73.13630	0.4
77.03973	0.6
79.01903	0.6
83.01372	0.8
93.03440	0.6
97.02950	0.7
105.03439	0.9
107.01399	0.7
107.71180	0.4
109.02957	2.7
119.05006	1.1
121.02985	2.1
121.03661	0.4
125.02428	1.8
133.02948	17.3
134.03680	0.5
135.04503	2.0
137.02449	0.8
147.04532	1.5
149.02429	1.8
151.03983	0.7
161.02480	2.2
163.00420	2.4
163.04012	4.1
165.01903	2.0
175.00388	0.5
175.03998	3.8
176.71036	0.4
177.01942	0.9
191.03526	1.8
193.01443	1.6
196.62531	0.4
199.03966	1.5
201.01924	1.7
209.06105	0.5
211.03983	1.0
212.04628	0.6
213.05507	1.1
215.03430	0.6
225.05632	1.1
227.03531	1.0
231.06706	0.6
237.39415	0.5
239.03433	0.7
240.04279	1.1
241.05074	0.8
243.02943	0.5
251.03596	0.6
253.05016	1.5
255.02969	0.7
255.06680	0.6
256.03607	0.7
262.28116	0.4
269.04584	1.4
270.05334	0.7
271.06027	0.5
281.04672	0.6
284.03244	10.1
285.04022	6.6
297.04031	13.7
298.04791	8.7
299.05591	15.9
300.05881	0.7
309.03885	0.9
311.05725	2.3
324.02853	0.7
325.03564	0.7
327.05084	100.0
328.05460	8.5
339.05130	2.6
341.06635	0.7
357.06146	30.9
358.06522	2.2
369.06128	3.8
370.06772	0.7
387.20236	0.6
393.06024	1.5
447.09305	26.6
448.09567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
53.21344	0.3
55.74543	0.3
59.01112	0.3
59.01384	3.9
61.98769	0.2
63.02402	0.3
65.00320	0.8
69.49589	0.8
69.50018	1.0
70.82310	0.3
72.58611	0.2
75.88003	0.2
83.01364	0.4
90.28144	0.3
93.78869	0.3
98.20602	0.5
104.74972	0.3
105.03485	0.3
107.01400	1.5
109.02927	0.5
121.02979	0.4
125.02401	0.3
129.25926	0.3
133.02959	9.8
134.03230	0.4
135.04523	0.5
141.79718	0.3
149.02470	1.8
151.00368	5.1
163.03970	0.3
171.04466	0.4
175.04010	3.0
177.01871	0.4
197.06049	0.5
198.03247	0.5
199.03967	2.4
201.01891	1.0
213.05597	0.8
215.03432	0.5
217.05150	1.3
223.04024	0.3
227.03407	0.3
229.05064	0.4
241.05016	1.3
243.03073	0.9
253.04990	0.4
255.02843	0.3
256.03790	2.0
257.04395	0.7
267.02872	0.3
269.04498	0.4
270.45227	0.3
284.03275	6.2
285.04044	100.0
286.04376	8.7
297.04044	3.1
298.04660	2.2
299.05640	3.5
311.05698	0.7
325.03235	0.4
327.05087	13.6
328.05350	1.2
335.85773	0.3
339.05048	0.7
357.06174	6.0
358.06421	0.7
369.06250	0.6
370.83884	0.3
429.08322	0.6
447.09305	24.0
448.09720	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	446.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65441	0.4
53.14115	0.5
55.07772	0.4
56.06731	0.5
59.01380	17.3
63.02397	0.6
65.00331	1.4
67.01907	0.7
69.03439	0.7
71.01381	7.9
72.99290	2.0
73.02940	1.9
74.27807	0.4
75.00865	4.1
77.03996	0.5
79.01904	0.9
81.03461	0.5
82.14095	0.4
83.01380	1.9
85.02940	5.5
87.00862	1.9
89.02450	2.4
95.01363	1.5
97.02942	0.9
99.00870	3.0
99.95865	0.5
101.02441	1.3
103.00420	0.5
105.03475	0.8
107.01400	2.2
108.02145	0.9
108.08194	45.2
109.02969	4.5
109.08510	1.4
111.00822	0.5
113.02454	6.9
115.00327	0.6
117.01932	0.7
119.03505	0.7
119.04997	0.8
121.02914	3.2
123.00865	0.5
125.02432	1.4
131.04979	0.5
133.02950	19.0
134.03717	1.0
135.00871	0.9
135.04494	2.0
141.27568	0.5
145.02983	0.5
146.03606	0.5
147.04466	1.0
148.01691	0.6
149.02422	2.2
151.00371	6.4
151.04008	0.5
152.07166	40.1
153.07472	1.2
161.02399	2.8
161.04536	0.7
163.00365	4.9
163.03951	2.8
164.01103	0.5
165.01910	2.6
171.04488	0.7
173.02383	0.6
173.05972	0.6
175.02625	0.8
175.03975	4.0
177.01904	1.5
178.99840	2.5
179.03481	0.7
185.06102	0.5
187.03955	0.8
191.03479	1.8
193.01398	1.0
196.06161	14.5
197.06276	1.1
198.03180	0.5
199.04063	2.8
201.01915	1.8
203.03473	0.9
211.03952	1.4
212.04845	0.9
213.05553	1.6
215.03476	0.8
224.04822	0.5
225.05583	1.5
226.02608	0.6
227.03494	9.7
229.01329	0.9
229.04948	1.3
231.04987	0.8
239.03462	0.8
240.04187	1.1
241.04990	1.7
243.03041	2.8
243.06641	0.7
245.04482	0.7
249.06125	11.2
251.03342	0.6
252.04155	0.5
253.04984	1.5
255.02972	17.3
256.03772	1.6
267.07034	2.8
269.04523	1.9
270.05237	1.0
271.02472	14.1
271.05478	1.0
281.04755	0.7
283.02478	1.1
284.03247	24.9
285.04028	32.2
297.04025	25.4
297.07547	0.6
298.04788	15.8
299.02158	1.2
299.05582	24.4
300.02728	23.9
300.05524	0.4
301.03503	19.6
309.03970	0.7
309.90607	0.5
311.05670	5.3
324.02771	1.2
325.03372	1.0
327.05066	100.0
330.03787	1.0
339.05084	8.6
341.06512	1.6
357.06125	56.9
369.06107	3.2
384.12689	1.2
387.06927	1.2
387.20316	1.1
393.06189	0.6
399.07343	0.9
402.14035	15.1
403.14383	0.9
405.21405	0.8
411.07053	1.0
428.11539	0.6
429.08160	6.2
446.12994	34.0
447.09210	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10944	0.5
57.03459	0.6
59.01381	100.0
59.76749	0.5
60.01726	0.6
65.13744	0.4
69.45143	1.2
69.45564	2.1
71.01389	10.1
72.99284	0.6
73.02956	1.4
83.01392	1.0
85.02939	2.7
87.00895	0.7
89.02449	15.2
101.02441	7.3
101.03014	0.6
113.02454	4.0
119.03499	6.0
125.02430	0.6
131.03499	0.7
142.15704	0.5
143.03522	1.0
146.17020	0.4
149.04576	0.6
151.06017	0.5
157.84299	0.4
161.04605	1.6
163.11317	0.6
179.05658	1.3
179.10863	1.3
196.55272	0.5
205.12321	5.3
223.13498	0.5
269.04660	2.0
285.34982	0.5
294.87164	0.5
297.04089	2.1
325.03909	0.8
353.37924	0.5
385.18439	2.6
403.19775	1.0
445.07602	2.6
445.21002	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.43374	1.0
64.98674	1.1
70.77799	1.2
70.85428	2.4
71.01382	17.3
73.02897	1.0
79.54224	1.1
83.05017	2.3
83.50675	1.0
85.02946	3.0
87.00917	1.2
88.57577	1.1
89.01932	2.2
89.02447	28.4
101.02444	8.4
113.02451	8.4
119.03486	12.0
143.03487	2.9
161.04549	3.0
170.53548	1.1
179.05615	17.5
180.05865	1.1
234.45560	1.1
276.70306	1.1
370.47940	1.1
400.60965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
57.87387	1.0
59.01380	100.0
60.31221	0.8
61.58825	0.9
61.98829	2.3
62.81504	0.9
69.51341	6.4
70.65137	1.0
71.01382	30.4
72.99329	2.1
73.02953	5.8
83.01387	1.9
85.02956	8.4
87.00838	1.2
89.02445	18.9
95.01390	1.5
97.02999	1.2
99.00882	2.6
101.02447	16.3
113.02460	11.6
119.03513	8.0
123.04569	1.3
125.02444	1.9
134.03687	1.3
137.02426	1.4
138.06874	3.6
143.03477	2.7
147.24936	1.0
149.02394	1.1
149.04611	1.3
151.04024	1.5
151.07625	3.8
152.08440	6.6
153.09207	19.7
153.10353	1.8
159.03062	1.4
161.04559	12.7
161.09691	2.3
163.11278	1.1
179.05710	5.2
179.10826	3.3
196.19850	1.1
205.12355	12.4
223.13374	11.5
241.14525	2.9
275.10266	1.0
289.06998	1.3
327.04971	1.3
385.18677	18.1
386.19025	2.4
403.19711	4.2
408.09521	0.9
445.12561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16182	0.5
59.01379	100.0
61.81479	0.6
61.98848	1.1
70.01901	2.6
71.01383	0.9
78.95892	4.1
87.00896	0.9
98.19929	0.9
103.00380	1.8
112.98816	1.3
121.02993	0.7
149.00075	6.6
205.15959	7.0
268.03729	1.0
269.04535	5.6
297.04053	4.1
325.03699	1.9
327.05115	1.0
355.04819	1.1
355.16776	22.3
355.20932	1.4
356.17297	2.2
385.17828	12.5
386.18179	1.3
445.07404	5.0
445.20233	2.6
445.29486	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	444.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18920	0.5
55.01884	0.9
56.52924	0.5
57.03445	1.3
59.01384	14.9
67.01884	0.7
67.75816	0.6
68.99842	0.7
69.03472	0.9
69.27905	4.7
71.01385	11.2
72.01694	0.5
72.63061	0.5
72.99314	4.1
73.02949	2.3
74.20704	0.5
75.00880	8.8
83.01419	1.1
85.02953	8.5
87.00895	3.0
89.02444	3.2
93.03462	1.0
95.01395	2.0
98.20678	1.0
99.00871	5.4
101.02457	1.6
103.00417	0.6
106.06632	100.0
107.06973	3.0
113.02457	9.9
115.00372	1.0
117.01955	1.4
129.01962	1.0
150.05611	68.6
151.05963	2.9
161.04547	0.7
175.02487	1.1
185.94014	0.6
189.04031	0.6
194.04581	22.2
195.04970	1.1
224.09320	2.2
231.05116	1.6
249.06155	20.3
250.06470	1.0
255.03070	2.5
267.07288	3.6
269.04578	3.2
283.02441	1.5
285.03986	0.8
297.04050	2.0
325.03455	1.3
327.05328	0.8
382.11703	1.1
400.12497	25.4
401.12830	3.0
444.11496	52.4
444.19495	6.7
445.07462	2.1
445.12839	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	443.3376
Annotation	oscr#34
Peak:m/z	Relative Intensity
57.03456	0.9
59.01376	2.3
69.62402	0.4
71.05024	0.5
72.09600	0.4
75.55526	0.4
80.02714	0.4
89.02436	0.8
91.03994	1.1
110.03912	0.5
120.00841	0.5
126.31860	0.4
171.76459	0.4
279.26886	1.0
305.28461	1.6
307.30054	98.6
308.30420	10.7
325.31152	2.4
351.29031	48.4
352.29388	5.4
369.30078	100.0
370.30435	11.1
406.35626	0.4
424.69751	0.4
443.33765	57.7
444.34143	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	443.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96283	0.5
57.03447	1.3
59.01390	1.6
67.74354	0.5
74.56809	0.5
83.75269	0.5
84.16922	0.5
89.02459	1.3
91.04029	1.4
94.58793	0.5
97.16389	0.5
150.21458	0.5
165.24615	0.5
197.65657	0.5
219.77292	0.5
283.67099	0.5
305.28476	1.5
307.30072	100.0
308.30399	10.1
325.31085	2.5
351.29059	45.0
352.29459	4.7
369.30087	93.3
370.30447	11.9
443.33792	52.6
443.40326	1.2
444.34061	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01381	14.1
68.99813	1.2
69.03455	0.8
71.01381	9.2
71.28537	1.6
72.99300	3.3
75.00863	6.6
81.03465	0.7
83.01370	1.0
83.60673	0.6
85.02956	6.8
87.00896	2.0
89.02456	3.1
93.03462	0.8
95.01391	2.1
99.00875	3.8
99.08019	0.7
101.02454	1.0
106.06628	100.0
107.06954	4.5
113.02454	7.2
117.01932	0.8
124.60098	0.7
150.05602	55.0
151.05916	2.3
153.59137	0.7
166.45757	0.6
177.69472	0.7
194.04593	26.6
195.04997	1.3
205.41811	0.8
212.79094	0.6
224.09418	0.8
231.05083	1.3
249.06139	14.3
250.06506	0.7
255.02936	0.9
267.07169	6.2
269.04492	2.1
297.04013	1.3
298.76492	0.6
307.55780	0.8
325.03558	1.5
382.11298	1.7
400.12457	25.2
401.12820	1.5
418.49252	0.8
444.11472	49.6
445.12543	5.0
445.20547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70608	0.3
70.07680	1.4
74.99057	0.9
96.96010	0.7
114.53921	0.4
148.05325	0.3
159.08452	4.6
159.89388	0.6
161.06360	1.0
201.46265	0.4
207.15202	0.4
217.07185	1.3
261.04404	1.0
275.05844	0.8
277.07596	2.7
343.12003	0.4
345.13763	1.0
357.13757	2.3
358.13550	0.5
359.15329	100.0
360.15488	14.8
425.19989	0.9
427.21564	52.9
428.21738	9.3
443.24658	8.7
444.24878	1.6
445.22641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01875	1.2
57.03454	2.8
58.00602	0.9
59.01380	60.3
60.01717	0.7
61.98810	0.4
69.03446	0.5
69.29207	1.1
69.29636	1.4
71.01380	23.1
72.99307	1.6
73.02945	14.2
75.00883	0.8
75.98163	0.3
83.01389	5.2
85.02950	9.9
85.03464	0.6
86.00097	0.6
87.00896	1.6
89.02448	6.7
93.03493	0.4
95.01367	1.9
97.02974	0.7
98.19936	0.7
99.00881	2.6
101.02444	18.0
101.57743	0.3
102.02780	0.4
106.06628	6.2
113.02451	8.4
119.03502	2.8
123.08155	3.3
125.02442	0.7
130.08762	0.4
131.03461	0.4
135.04532	0.6
143.03532	1.0
150.05606	4.1
151.07692	0.7
151.11288	0.5
159.03004	0.7
159.84332	0.3
161.04587	3.3
161.05811	0.5
161.09802	0.4
174.21967	0.3
174.83784	0.3
177.12874	5.1
178.13165	0.3
194.04599	1.2
195.13890	2.8
201.12779	0.3
213.81741	0.4
219.13931	0.6
221.11819	4.5
249.06197	1.2
332.07861	0.3
347.32919	0.3
357.19287	2.7
383.17044	0.9
400.12479	1.6
401.18274	1.6
443.19199	100.0
444.11572	2.9
444.19562	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03436	4.2
59.01382	25.3
59.08204	0.9
61.98840	5.2
67.01872	1.8
68.99841	2.1
69.03457	2.1
69.41751	7.3
71.01381	28.0
72.99302	6.6
73.02933	3.4
75.00871	19.6
81.03460	1.2
83.01392	1.7
85.02952	32.7
87.00875	12.0
87.11655	0.9
89.02443	9.6
89.03978	2.2
93.03455	4.4
95.01376	6.7
98.19895	1.4
99.00891	15.3
100.98589	0.9
101.02422	2.3
103.00372	3.8
109.02980	2.4
111.00881	1.6
111.04572	0.9
113.02449	37.7
115.00365	3.3
117.01945	3.0
117.03490	7.2
129.01942	2.8
130.99797	1.0
132.02159	1.5
133.02951	3.0
134.03745	91.9
135.04597	10.6
136.54736	0.9
137.02443	1.0
139.49602	0.9
144.86571	1.0
146.72083	0.9
149.06067	9.5
157.01454	1.0
160.01660	6.7
161.02438	3.8
173.04532	9.7
175.02435	2.5
175.03990	8.9
179.03497	4.2
189.04056	1.2
191.05627	2.8
193.05052	45.4
194.05435	1.9
205.07132	0.9
207.05006	1.9
231.05098	2.5
242.05716	1.6
249.06145	34.0
250.06511	2.2
253.07191	2.1
253.49081	1.0
263.25958	1.0
265.26773	0.9
267.07159	100.0
268.07486	5.6
271.09879	1.7
356.08923	0.9
359.07947	1.1
383.10208	1.1
383.17789	1.5
388.83871	1.1
411.09186	1.7
425.10974	5.6
443.11935	77.9
444.12155	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01884	1.3
57.03447	3.6
58.00599	0.9
59.01382	59.6
60.01707	0.5
61.98822	0.5
62.80740	0.2
68.99804	0.2
69.03474	0.7
71.01382	22.8
71.52426	0.2
72.01730	0.3
72.99309	1.4
73.02947	14.3
75.00882	0.7
83.01392	5.5
85.02953	9.1
86.00114	0.5
87.00893	1.4
89.02452	6.6
91.04604	0.2
95.01392	1.5
97.02974	0.8
99.00893	2.7
99.04541	0.3
101.02445	17.9
102.02797	0.3
106.06638	2.1
107.05032	0.3
109.06607	0.3
111.00875	0.3
113.02450	8.2
119.03505	2.7
121.06585	0.4
123.08159	3.7
125.02452	0.9
129.01942	0.5
130.08792	0.3
131.03604	0.4
135.04553	0.4
137.09698	0.3
143.03526	0.9
149.09726	0.3
150.05640	1.7
151.07657	0.8
151.11339	0.4
159.03009	0.7
161.04570	3.9
161.09729	0.7
165.05536	0.2
173.04506	0.3
177.12848	5.5
179.03502	0.5
179.05595	0.4
194.04597	0.5
195.13895	2.3
204.11606	0.3
205.05058	0.3
219.13905	1.0
221.11836	5.3
249.06087	0.5
320.41797	0.2
339.18042	0.3
347.68881	0.2
357.19177	2.2
362.72501	0.2
383.16940	0.6
399.26050	0.3
400.12375	0.4
401.18106	2.0
402.18784	0.3
443.19211	100.0
444.11713	0.7
444.19550	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3737
Annotation	Cerin
Peak:m/z	Relative Intensity
53.93006	0.4
55.87755	0.4
70.95445	1.0
87.31432	0.5
152.44827	0.4
168.00186	0.5
263.23557	0.5
284.83151	0.5
441.37360	100.0
442.37723	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	443.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50119	2.2
57.03422	2.5
59.01380	25.0
60.99310	18.4
71.01391	20.2
73.02960	3.0
85.02957	8.6
87.00844	3.1
87.43520	2.5
88.98804	100.0
89.02428	11.7
93.03472	17.0
95.01395	3.1
98.20669	5.0
101.02440	15.7
109.02938	3.3
111.04518	3.4
113.02412	6.6
119.03471	6.6
135.04515	40.8
137.02434	3.4
155.03453	6.4
161.02277	2.3
173.04533	67.4
179.03496	41.6
191.05569	28.6
226.01277	3.0
247.54636	2.2
329.82870	2.5
341.77222	2.4
353.08713	49.7
354.09085	4.3
394.08786	2.3
419.27206	2.4
439.28241	2.4
443.13147	4.3
443.19177	49.6
444.19690	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	443.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51091	2.0
59.01368	3.9
60.99304	16.5
67.01891	4.0
69.69027	12.9
71.01380	3.9
76.88475	2.3
79.54295	2.0
82.45673	2.1
85.02937	4.4
88.98803	100.0
93.03458	18.6
98.19897	2.5
99.13657	2.3
107.50209	2.3
108.41449	2.3
109.02918	4.2
111.04533	3.0
114.45593	2.5
117.10457	2.2
117.71226	2.0
119.48116	2.4
135.04521	37.0
136.04790	2.0
137.02419	2.8
155.03409	4.7
161.02322	2.6
164.27579	2.3
173.03151	3.7
173.04555	69.3
178.83719	2.3
179.03487	40.0
191.05643	26.3
193.05083	3.7
204.56285	2.2
259.10797	2.3
300.87640	2.0
353.08749	42.5
354.09045	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	441.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52500	10.7
59.01380	11.5
61.98839	12.1
65.13987	9.0
69.24017	100.0
71.01388	19.7
93.03468	13.2
119.05045	18.5
124.46660	10.3
144.04558	20.2
146.06033	12.4
163.03970	35.3
165.03983	15.8
173.04530	17.6
181.70085	9.5
190.05084	26.3
245.00598	8.7
441.19022	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	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03458	4.4
58.00585	1.4
59.01379	50.0
61.98813	1.0
69.03448	0.9
69.16943	1.7
69.17349	6.0
71.01381	26.7
72.99286	1.8
73.02953	1.2
74.50385	0.7
79.05521	0.8
81.03445	1.4
83.01369	2.0
83.05035	3.0
84.02155	1.5
85.02940	6.1
87.00855	1.3
89.02445	28.3
93.03446	0.9
95.01382	2.2
95.05015	2.2
97.02930	1.4
97.06584	1.8
99.00877	1.0
99.04522	1.6
101.01789	1.2
101.02441	17.0
107.05032	0.8
109.02938	1.6
111.04533	1.3
113.02443	9.9
119.03507	15.7
121.06589	6.5
123.08164	2.2
125.02441	0.7
125.06061	2.8
131.03488	1.8
131.06308	0.8
133.06636	1.0
135.04541	1.4
135.08185	1.1
136.05290	1.9
137.06027	0.7
139.07640	2.1
143.03467	1.8
147.08156	1.3
147.11789	3.6
149.04500	1.1
149.06190	0.8
151.07648	21.5
151.11272	3.6
152.08322	0.9
156.09454	1.1
159.08125	1.5
161.04581	5.0
161.05882	0.8
165.09253	1.0
167.07082	3.8
171.11771	2.3
173.09726	4.2
174.98950	0.8
175.11255	2.5
179.05582	13.9
179.07156	5.3
179.10881	1.8
184.08949	7.6
185.09305	0.8
187.07680	1.2
187.11258	4.5
189.09177	1.3
189.12840	9.1
199.11253	7.5
201.09201	7.6
202.09901	4.5
203.10535	1.0
205.12292	1.8
215.10681	4.9
217.12321	49.5
218.12610	4.9
235.13394	8.6
243.15927	1.2
251.11459	1.1
261.11261	4.6
279.12405	2.7
306.25323	0.7
441.17627	100.0
442.17969	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	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65132	0.3
70.08708	1.4
70.34754	0.4
78.95908	42.4
79.95737	2.4
96.96004	100.0
96.96952	90.9
108.48682	0.3
149.00890	0.8
175.61664	0.3
195.90311	0.3
349.02106	0.4
409.09000	0.3
439.08301	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	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44215	0.3
69.26920	2.7
78.95905	45.1
87.00919	0.3
96.96044	15.9
96.96962	100.0
101.18327	0.3
116.87151	0.2
132.75613	0.3
149.00916	1.7
159.85889	0.3
211.08531	0.3
319.97647	0.3
333.19427	0.3
439.08688	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	439.088
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11200	0.4
63.96315	0.4
70.16441	1.0
70.16826	0.9
78.95904	49.1
79.95732	1.6
96.96012	61.8
96.96960	100.0
98.19923	0.5
117.40428	0.4
149.00929	0.5
439.08630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46554	4.2
55.01863	5.1
57.03452	5.6
58.92820	3.9
59.01380	100.0
61.98829	63.0
65.34473	4.7
69.21730	44.1
71.01379	69.3
72.99306	10.6
73.02949	20.0
75.00868	13.4
77.20920	4.5
83.01395	10.9
85.02964	25.9
87.00888	9.3
89.02444	46.4
93.03455	5.2
95.01373	6.5
96.96001	6.5
96.96998	7.5
97.02930	5.9
99.00890	11.2
101.02440	56.6
107.76749	5.4
109.02960	14.7
111.00865	13.6
113.02455	25.3
115.04044	6.2
119.05032	6.5
123.04537	14.7
125.02421	26.8
131.03505	17.6
135.02980	31.9
135.04539	6.2
137.02457	24.7
138.84262	4.7
149.04491	5.2
151.04004	20.0
161.02426	8.3
161.04564	16.9
163.04001	8.0
173.04510	7.5
175.03957	5.5
180.29407	4.8
183.32326	4.6
191.05507	7.0
199.04012	4.7
203.07111	6.4
233.06615	6.9
289.07025	21.6
307.17621	74.5
439.17175	79.2
439.21988	49.1
440.17410	9.8
440.22791	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	438.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
60.03925	0.5
61.98829	100.0
71.01378	0.6
71.09824	0.7
74.27936	0.5
78.54829	0.5
85.00537	0.5
96.14682	0.5
109.02964	0.5
133.02965	0.6
177.01965	0.6
200.48265	0.5
217.34554	0.5
316.87924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71742	6.4
53.45615	6.7
59.01377	52.4
61.98821	13.7
65.31215	6.6
71.01391	24.2
71.52233	6.5
73.02922	8.4
75.87509	7.4
85.02953	18.7
85.16375	7.2
85.60143	7.3
89.02456	15.4
101.02434	30.2
113.02448	16.6
125.02324	8.9
161.02510	7.9
161.04579	12.7
191.05609	12.7
231.06624	19.8
269.10190	21.8
401.14514	100.0
402.14841	11.5
437.12076	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
57.03448	4.6
58.00589	1.5
59.01380	34.6
61.98818	0.8
63.13049	0.3
63.91641	0.4
68.99806	0.5
69.03453	1.3
69.19802	3.1
69.20218	0.6
71.01382	47.5
72.01729	0.8
72.99313	3.0
73.02947	23.1
74.03297	0.5
75.00871	1.0
77.48827	0.3
81.03460	0.7
83.01389	19.0
83.05039	0.4
83.94118	0.4
84.21316	0.3
85.02953	29.9
86.00102	1.5
86.03297	0.7
87.00876	3.0
87.04495	0.4
89.02448	7.1
95.01384	3.6
97.02952	2.7
99.00882	7.2
101.02444	58.6
102.02806	1.5
103.03999	2.6
109.02984	0.4
111.00888	1.9
113.02451	19.9
119.03456	1.6
125.02469	2.5
127.11270	0.8
129.01935	1.1
129.12930	0.4
131.03470	0.5
141.01913	0.6
143.03516	2.6
145.05067	1.6
148.37465	0.3
151.57774	0.3
159.02995	3.4
161.04556	22.1
162.04942	0.8
163.06110	1.3
173.04558	0.6
194.33197	0.3
199.13403	1.2
205.03506	0.9
206.53848	0.4
229.07176	1.1
247.08199	1.3
291.18130	100.0
292.15381	0.5
292.18500	7.0
313.92145	0.4
335.16995	1.0
437.23920	25.3
438.24179	3.0
440.82227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58412	0.3
59.01379	3.9
61.98830	100.0
67.29793	0.5
67.65578	0.4
71.01398	0.4
71.52763	0.5
76.94604	0.4
85.02962	0.7
94.06653	0.6
96.78546	0.4
104.05084	1.1
107.03793	0.8
108.04575	1.6
109.03003	0.5
113.02417	0.4
122.06139	5.1
124.07674	0.5
132.04553	11.0
132.05495	0.7
133.04904	1.1
134.06174	0.7
138.63004	0.4
144.04605	0.4
148.04057	1.1
151.04016	0.4
152.07166	15.1
153.07520	0.7
161.02451	0.5
176.03465	2.1
208.06201	0.5
232.29910	0.4
238.10960	1.2
269.13092	1.4
273.12503	1.1
296.28781	0.4
297.12442	6.5
303.21912	1.4
304.22125	3.5
313.12015	1.0
341.11401	19.6
342.11765	1.8
373.13998	19.9
374.14401	2.2
433.95483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46307	1.6
59.01380	100.0
61.91278	1.7
61.98832	3.1
80.96517	27.2
85.02997	1.8
96.96017	5.3
222.76511	1.8
276.91434	2.7
412.08817	1.9
435.19992	2.2
435.29987	3.5
435.34744	9.9
436.34909	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01208	0.6
57.03426	0.7
59.01381	100.0
60.01716	2.1
61.01804	0.9
61.98832	13.2
62.39142	0.6
69.42764	4.4
71.01385	3.1
71.05040	0.7
72.99311	0.7
73.02947	1.6
81.03464	0.9
83.05039	0.6
85.02971	2.3
87.00898	1.7
89.02464	1.8
93.03465	1.4
96.96026	1.3
101.02467	1.8
109.02991	1.3
112.98811	0.7
113.02480	1.3
119.05028	0.8
123.04559	0.8
125.02422	0.8
135.04512	0.9
149.09808	0.7
151.04102	0.6
161.02530	0.7
161.04584	0.7
164.07187	0.9
167.03531	0.6
173.04639	1.4
177.01996	1.1
179.03470	0.8
183.17603	0.6
185.11801	1.4
189.01967	1.1
217.01430	1.2
249.06137	0.7
267.07291	0.9
283.19067	0.7
285.20850	1.2
297.04214	1.0
303.21774	33.5
304.22171	2.8
333.19235	1.3
341.06812	1.5
361.16815	1.0
405.21912	1.1
435.11932	1.0
435.18356	1.8
435.23029	1.2
435.29947	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	435.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47561	0.8
55.01867	1.7
55.59171	0.9
57.03454	8.0
59.01385	34.1
61.98836	15.9
68.99821	1.5
69.03457	2.4
71.01020	1.1
71.01389	20.1
72.99310	5.6
73.02934	3.6
75.00874	17.8
80.42384	0.9
81.03448	3.0
83.01400	2.4
83.04986	1.0
85.02959	22.0
87.00874	8.6
89.02458	7.1
93.03449	2.8
95.01416	5.4
97.02944	0.9
99.00339	1.2
99.00888	10.5
101.02461	2.9
102.10113	0.9
103.00359	2.9
109.02945	2.4
111.00883	1.2
111.04603	0.9
113.01728	1.6
113.02460	25.7
115.00367	1.9
117.01930	3.3
119.04992	3.2
123.04531	5.1
124.06731	0.8
125.02418	2.9
127.07629	1.9
129.01955	2.5
131.03482	1.8
147.02936	1.0
149.02373	1.3
167.03510	9.1
173.04471	2.9
175.02510	2.4
179.03470	1.8
185.11833	28.9
186.12169	1.3
191.03392	1.7
191.05621	1.2
205.07054	1.5
216.79970	0.8
227.12888	4.7
231.05048	3.2
249.06152	23.9
250.06274	0.9
267.04300	1.6
267.07214	31.9
268.07578	1.8
269.13901	1.5
273.07715	12.6
274.07983	1.3
285.20642	1.1
287.15051	8.9
288.15045	0.9
303.18250	1.5
303.21777	28.8
304.22098	2.6
341.06583	1.6
388.30814	0.9
396.06845	1.1
417.17554	2.0
435.18643	100.0
436.19089	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	435.1297
Annotation	Nothofagin
Peak:m/z	Relative Intensity
57.03431	1.3
59.01380	14.3
60.01722	0.5
61.98835	5.1
62.69899	0.4
65.00326	0.6
67.01874	1.1
68.99811	1.3
69.03450	1.1
69.27433	0.8
69.27840	3.4
71.01378	1.8
71.79160	0.4
72.99300	0.6
73.02935	0.7
81.03457	11.5
81.71178	0.4
82.58745	0.4
83.01393	4.3
83.05022	0.6
85.02935	1.9
87.00872	0.8
89.02431	0.9
90.64592	0.4
93.03456	7.0
95.01371	1.5
95.05032	11.3
97.02950	5.2
98.19905	0.6
99.04514	5.0
101.02479	0.6
105.03432	0.8
106.74532	0.4
107.01382	0.6
107.05017	0.6
108.02168	0.7
109.02938	1.9
109.06596	0.5
111.04517	1.1
113.02448	1.7
119.05020	8.2
121.02931	1.4
122.03732	1.3
123.00896	0.7
123.04527	16.0
124.04868	0.7
125.02445	22.0
126.02865	0.5
133.34697	0.4
135.04515	1.7
137.01524	0.6
137.02460	3.5
137.05118	0.8
137.06091	11.2
138.06410	0.5
139.04001	3.9
141.05612	0.9
147.04507	2.1
149.02365	0.9
149.06027	1.0
150.03227	0.6
151.00444	0.7
151.03987	1.9
153.05568	0.5
155.03467	1.0
161.02492	0.6
163.00404	0.7
163.03998	0.6
164.07076	0.4
165.01926	1.5
165.05569	8.0
166.02643	0.5
167.03493	51.4
168.03871	2.2
173.04517	0.9
177.01930	1.0
177.05516	0.9
179.03487	9.3
180.03986	0.4
181.05080	2.8
185.11894	0.5
188.11810	0.5
189.02080	0.5
189.04004	0.6
189.05557	4.7
191.03561	1.0
193.05072	1.3
197.04538	4.1
206.02275	1.0
207.02934	0.5
209.04556	15.2
210.04863	0.8
219.02934	0.5
221.04584	2.6
229.08694	0.8
231.06703	0.7
239.05658	0.8
247.09773	0.6
273.07706	9.9
274.07898	0.8
285.07706	2.3
303.21759	9.8
304.21924	1.0
315.08734	100.0
316.09079	10.5
327.08792	1.1
341.06766	0.7
345.09790	25.3
346.10129	2.9
357.09885	1.4
381.37097	0.5
399.10660	0.6
417.12088	2.1
435.13223	4.7
435.22479	1.2
435.29593	2.1
436.13251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	SCHEMBL110262
Peak:m/z	Relative Intensity
57.03452	2.2
59.01143	0.3
59.01392	3.0
61.98836	0.8
63.02403	0.3
65.00319	1.2
65.99619	0.2
69.03475	0.4
69.34091	0.4
69.34497	1.6
71.01408	0.4
76.23891	0.3
79.01930	0.3
81.03458	12.5
82.03810	0.4
83.01390	4.8
85.02962	0.2
91.55557	0.2
93.03465	9.0
95.01393	0.5
95.05053	0.8
98.20686	0.5
99.04533	0.5
107.01399	1.5
109.02969	1.5
111.04543	0.4
113.02493	0.3
119.05038	10.5
120.05389	0.6
121.02985	0.5
122.03748	0.4
123.04537	34.4
124.04858	1.2
125.02461	17.7
126.02775	0.4
133.02948	0.3
135.04559	1.1
137.02467	0.3
139.04071	0.4
145.02956	0.8
147.04501	0.4
149.02458	2.6
151.00385	3.7
151.03989	0.8
154.97961	0.3
159.88959	0.3
163.04012	0.4
165.05600	0.4
166.02795	0.3
167.03511	80.9
168.03848	3.0
169.06618	0.6
171.04541	0.3
176.01228	0.2
177.01898	1.9
179.03523	8.3
180.03938	0.4
187.04016	0.4
187.07657	0.8
189.01920	2.7
189.05637	1.9
190.02682	0.9
191.03516	1.7
203.03397	0.3
211.07750	0.4
216.00638	0.5
217.01411	1.6
219.03009	0.6
221.72557	0.3
229.08714	0.9
231.03015	0.5
255.06682	0.7
271.06122	0.7
273.07693	100.0
274.08035	9.1
274.11032	0.5
281.04681	0.7
289.07220	0.4
297.07602	1.3
303.21762	0.8
315.09085	0.3
341.06631	8.9
342.07047	1.0
384.21136	0.3
435.11053	1.4
436.11838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20779	0.5
57.00492	0.4
57.03437	0.8
59.01382	16.4
60.01708	1.0
61.01780	0.6
61.27514	0.4
61.98830	12.2
65.00330	0.6
67.48193	0.5
69.65643	0.4
70.14332	1.3
70.14713	0.8
71.01390	3.7
72.40464	0.4
72.99295	0.7
73.02949	1.1
81.03454	1.3
83.01375	1.7
85.02949	1.6
85.33759	0.4
86.64188	0.4
87.00859	0.7
87.04510	2.8
89.02444	1.3
89.04007	0.5
93.03460	10.2
95.01363	0.8
95.05026	1.7
96.96038	0.5
99.00887	0.5
99.69231	0.5
101.02446	2.7
103.05532	0.5
105.03474	0.6
108.02225	0.6
109.02230	0.9
109.02956	16.0
110.03316	0.8
111.04464	0.7
113.02431	1.3
113.03570	0.6
117.03446	2.0
119.05019	2.8
121.02967	1.3
122.03707	0.6
123.04527	17.6
124.04850	0.5
125.02488	2.1
130.77792	0.4
133.02969	2.7
135.00851	0.6
135.04526	1.7
135.31752	0.5
137.02415	0.7
145.01881	0.8
145.02954	8.7
147.04510	3.6
149.02411	1.3
150.03195	1.3
151.00363	0.6
151.03998	6.9
159.04485	1.8
161.02429	1.9
161.04678	0.8
161.05977	0.7
162.03178	0.9
163.03990	1.1
165.01862	0.4
167.03484	5.4
173.04561	0.6
175.03978	1.0
176.01122	1.3
177.01939	22.9
178.02235	0.8
179.03465	1.2
187.04010	1.7
188.04799	1.0
189.01935	49.0
190.02672	12.2
191.03505	11.2
192.03841	1.0
197.11682	0.5
201.02058	0.5
202.28592	0.5
203.03461	5.9
203.06987	0.4
205.05014	0.6
213.05516	0.5
213.14830	0.6
216.00621	7.6
217.01410	35.4
218.01961	3.3
219.02972	13.8
220.03282	0.8
224.83975	0.4
227.07227	0.8
229.04964	0.9
231.02980	11.2
232.03609	1.0
233.04463	1.5
241.05038	1.6
245.08057	0.7
249.06168	1.1
255.06752	0.7
262.62384	0.4
269.04541	1.2
271.06052	3.0
273.07690	8.2
273.17160	0.8
281.04517	1.7
283.06064	1.7
289.07239	4.3
289.16608	1.6
297.07635	1.5
303.21765	9.1
304.21936	0.8
305.04654	0.5
311.05634	5.5
313.06622	0.5
323.05524	1.7
325.07205	1.1
341.06650	100.0
342.06952	10.6
435.10849	33.1
435.19891	0.7
436.11261	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	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.3
61.98836	2.5
69.30950	3.7
71.01385	1.5
73.02960	0.5
83.01394	1.2
85.02967	0.7
87.04537	1.7
89.02449	0.8
93.03460	8.1
95.05046	1.1
101.02448	1.4
103.04047	1.4
106.80270	0.5
108.02159	0.6
109.02957	17.6
112.70332	0.4
113.02466	0.6
117.03484	2.1
119.05035	3.0
121.02975	1.2
122.03738	0.5
123.04533	13.1
124.04867	0.6
124.17962	0.5
125.02386	2.1
133.02994	3.0
134.03764	0.8
135.04556	1.2
137.02412	0.9
143.05061	0.6
145.02943	8.3
147.04533	2.0
148.01721	0.8
149.02411	2.3
150.03229	0.9
151.04007	8.3
159.04553	1.9
161.02464	2.1
161.04765	0.4
161.06096	1.5
162.03215	1.3
163.04010	1.3
173.02393	0.7
175.04025	1.2
176.01099	0.5
177.01927	23.5
178.02269	1.5
183.13919	1.0
185.06021	0.6
187.03949	2.7
188.04761	1.5
189.01929	28.7
190.02669	8.5
191.03510	6.5
195.13873	0.8
203.03551	2.4
203.07178	1.4
205.05106	0.8
213.05688	0.5
213.14957	12.5
214.15233	0.6
216.00627	5.7
217.01411	18.9
218.02156	2.5
218.04079	0.5
219.02979	9.0
220.03397	0.7
222.01665	0.8
227.07162	1.4
229.05013	2.4
229.08664	1.5
231.02959	6.2
232.03725	1.1
233.04541	0.6
237.05562	0.7
241.04993	1.1
243.06546	1.0
245.08182	0.7
253.04958	0.5
255.06752	1.3
269.04440	0.7
271.06091	5.9
273.20786	1.8
279.06622	0.7
281.04575	7.0
282.05273	1.0
283.06039	2.7
289.07236	4.5
297.07657	4.6
311.05667	2.5
314.82922	0.5
323.05682	1.3
325.07031	1.1
341.06644	100.0
342.06961	8.9
435.10818	17.2
435.26181	5.6
436.11035	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	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09629	0.4
59.01389	1.9
59.45071	0.4
61.98827	1.4
65.00337	0.4
65.03992	0.4
68.99828	0.4
69.03413	0.4
69.31741	1.5
69.32161	1.5
71.01373	1.2
85.02938	0.6
89.03988	0.5
93.03462	10.5
94.03809	0.4
95.05042	0.9
98.20732	0.4
99.37373	0.4
101.02432	1.0
103.05569	0.6
105.03452	0.7
108.02204	0.7
109.02952	15.7
110.03272	0.7
113.02454	0.6
117.03439	2.0
119.05009	1.6
121.02958	0.9
123.04524	15.3
124.04857	0.6
125.02457	1.1
133.02966	2.2
135.04521	0.5
137.02414	0.8
143.05055	0.4
145.02957	8.4
147.04520	3.8
149.02451	1.0
150.03238	1.1
151.04019	7.4
159.04491	1.8
161.02377	2.2
161.06119	1.0
162.03214	0.7
163.00546	0.4
163.03976	0.8
175.03946	0.7
176.01163	0.9
177.01936	22.7
178.02272	1.2
186.12665	0.4
187.04028	1.8
188.04700	0.5
189.01939	53.7
190.02684	11.5
191.03517	10.2
192.03726	0.6
203.03484	6.4
215.98576	0.5
216.00647	7.9
217.01413	35.4
218.01967	3.5
219.02975	12.9
220.03201	0.5
227.07220	0.6
229.05112	0.8
231.02972	11.2
232.03586	1.6
233.04532	1.4
240.16231	0.4
241.05069	1.6
243.06844	0.5
245.08084	0.6
269.04550	0.8
271.06079	3.0
273.20529	0.5
281.04517	2.0
283.06113	1.8
285.11450	0.5
289.07211	5.3
289.16501	1.1
297.07730	1.5
305.04694	0.4
311.05591	5.1
311.15860	0.5
312.05936	0.5
320.03665	0.6
323.05551	1.5
325.07162	0.6
341.06647	100.0
342.06989	11.1
435.10831	32.9
435.26364	0.7
436.11206	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	435.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20018	0.4
59.01371	8.1
59.01639	0.5
60.01738	0.6
61.36347	0.4
61.98825	9.0
61.99113	0.6
66.83076	0.4
69.39647	2.0
69.40070	0.9
71.01390	2.6
72.26562	0.4
73.02969	1.1
75.14406	0.3
79.96179	0.4
81.03426	0.5
83.01403	1.1
85.02955	0.6
87.04502	2.8
89.02438	0.7
89.03995	0.6
91.01918	0.5
93.03462	8.8
95.01413	0.5
95.05056	1.8
98.19801	0.6
101.02438	2.4
103.05555	0.4
105.03510	0.6
105.84196	0.4
108.02183	0.7
109.02944	17.2
110.03297	0.8
113.02471	1.3
117.03459	2.2
119.04995	2.0
121.02985	1.0
122.03706	0.5
123.04517	14.7
123.05373	0.7
124.04900	0.4
125.02464	1.4
133.02962	3.0
135.00928	0.5
135.04527	1.2
136.11064	0.4
137.02454	0.7
139.94992	0.4
145.02937	7.0
147.04517	4.4
148.01732	0.6
149.02440	1.2
150.03220	1.3
151.04010	7.4
159.04468	1.8
161.02448	2.1
161.04597	0.6
161.06084	0.6
162.03206	0.5
163.00467	0.5
163.03969	0.9
167.03514	1.5
173.02472	0.7
175.03946	0.8
176.01141	0.7
177.01920	24.1
178.02269	1.4
187.03990	2.0
189.01921	51.6
190.02661	12.2
191.03484	11.5
199.13431	0.5
203.03487	6.8
204.03877	0.5
205.05034	0.6
216.00638	8.3
217.01402	34.5
218.01991	3.3
219.02975	13.5
220.03395	0.5
229.04916	0.7
229.08696	0.7
231.02972	12.0
232.03549	1.5
233.04572	1.6
241.05107	1.1
245.08183	0.5
249.22324	0.4
255.06685	0.5
264.04355	0.4
269.04517	1.0
271.06046	2.7
273.07806	1.9
279.06702	0.5
281.04550	1.6
283.06171	1.5
284.06659	0.4
289.07132	4.1
289.16571	2.2
290.07687	0.5
297.07687	1.6
303.21756	1.6
311.05609	5.7
312.05914	0.7
323.05673	1.7
325.07132	1.0
341.06628	100.0
342.06949	9.7
435.10800	36.7
436.11340	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.6
59.01115	0.8
59.01383	10.3
61.98833	5.7
65.00329	1.1
71.01378	1.1
71.07311	1.8
71.07648	0.7
73.02930	1.4
85.02944	1.2
87.00880	0.9
88.33900	0.7
89.02437	1.1
91.01830	1.0
93.03459	10.2
95.05035	1.3
97.68903	0.8
99.04500	1.0
101.02419	1.2
109.02954	16.1
113.02440	1.3
117.03466	2.6
119.05034	3.5
120.05399	1.3
121.02982	1.7
121.70356	0.9
122.03731	1.2
123.04535	15.8
125.02447	1.5
133.02950	2.4
145.02948	9.6
147.04517	4.3
150.03162	1.0
151.00391	3.3
151.04028	8.2
152.00705	1.5
159.04515	2.2
161.02422	3.0
161.05971	0.7
162.03207	1.0
164.04416	0.8
177.01941	23.2
185.06093	0.8
187.04137	1.7
188.04797	0.9
189.01930	54.0
190.02676	12.9
191.03525	11.2
203.03513	6.1
216.00591	9.6
217.01408	35.9
217.03549	1.5
218.02022	3.9
219.02962	12.9
227.07066	1.1
229.04901	1.0
231.02995	11.0
232.03653	1.2
233.04446	1.4
241.05074	2.1
269.04584	1.3
271.06128	6.7
272.06458	2.8
273.06754	4.5
281.04523	1.5
283.06076	2.0
285.20599	1.0
289.07193	3.7
297.07660	1.5
301.20099	1.4
303.21774	29.3
304.22159	1.4
311.05655	5.7
312.06143	1.0
313.74796	0.8
323.05524	1.9
341.06647	100.0
342.06943	12.1
375.23929	0.9
411.49945	0.9
435.10834	34.3
435.29877	4.3
436.11099	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	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55657	0.4
54.76367	0.5
59.01385	9.1
60.01720	0.9
61.01823	0.7
61.98835	100.0
62.98532	0.5
68.45168	0.5
69.68853	2.5
71.01392	0.6
85.02985	0.7
93.56976	0.6
99.00791	0.6
105.15741	0.6
120.05261	0.5
131.94275	0.5
146.62521	0.5
217.66164	0.5
272.06418	1.1
296.42432	0.5
303.21609	0.9
375.23947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.46547	3.4
66.34678	3.4
69.51393	23.9
95.89250	3.3
96.96030	8.0
154.23911	3.6
163.76842	4.5
174.81020	3.5
175.68640	3.7
206.26770	3.5
211.17574	3.3
261.00568	3.4
445.57303	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	434.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.0
59.01378	34.4
62.73472	1.1
64.53564	1.2
64.91959	1.0
65.71001	1.1
66.98806	0.9
67.01864	1.6
68.99826	1.8
69.03456	3.2
70.02991	1.5
70.77388	1.1
71.01381	33.4
72.99301	7.0
73.02931	3.3
74.02475	1.9
75.00875	19.8
77.55826	1.3
81.03403	1.2
83.01365	1.7
85.02949	23.8
87.00873	9.8
89.02450	7.6
91.04040	1.3
93.03456	2.6
95.01375	6.9
95.44684	1.1
95.52638	1.1
99.00888	13.8
100.01244	1.4
101.02461	1.6
103.00352	2.6
109.02916	2.1
110.02438	1.7
111.00921	1.4
112.01676	1.6
112.04049	33.9
113.02452	31.8
115.00368	2.6
117.01912	3.5
117.82131	1.1
120.01256	1.2
122.06139	3.4
124.04040	30.0
128.03535	3.7
129.01910	3.4
129.67857	1.1
140.07176	12.5
143.04605	5.0
157.01471	1.4
166.05093	36.1
167.05501	1.6
173.04568	3.7
175.02460	3.3
180.91579	1.1
184.06155	41.8
185.06519	1.7
191.05742	1.4
207.05083	1.5
210.08914	1.4
231.05064	3.9
249.06146	68.1
250.06479	3.2
254.07837	1.6
258.09793	1.8
264.25031	1.1
267.07208	42.8
268.07541	2.8
272.08859	3.2
306.07590	8.6
416.11868	2.6
420.52945	1.2
434.12994	100.0
435.13480	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	434.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	9.0
59.01372	5.1
63.22620	1.4
63.76783	1.3
70.54921	2.9
70.55283	2.9
71.01384	4.8
72.99281	1.9
74.02095	1.5
74.02473	19.1
75.80363	1.2
78.50435	1.2
82.02964	2.3
83.05021	1.5
84.04571	1.5
85.02936	2.5
86.02482	8.6
86.99083	1.2
87.05640	5.4
89.02414	1.9
90.00193	1.6
93.03490	2.1
98.04438	1.4
99.05627	16.1
102.05571	2.7
109.04033	1.6
112.04032	4.0
113.02459	3.0
122.06178	1.4
124.04025	2.9
127.04004	3.8
127.05104	3.2
128.03543	45.3
135.05634	2.3
140.07164	2.6
141.06668	3.8
143.04620	57.2
145.06158	3.7
146.04588	5.3
153.06659	3.0
160.00749	16.9
166.05075	3.1
166.09773	1.5
167.04559	3.4
167.08211	2.0
173.04530	4.6
177.03387	6.1
179.04616	9.9
184.06155	2.8
185.05673	3.6
192.07797	1.3
197.05736	1.8
210.08873	9.3
242.07875	1.8
249.06119	4.8
254.07799	16.5
267.07187	3.7
272.08835	29.9
273.09158	1.8
288.06662	6.9
306.07651	100.0
307.07819	5.2
434.13187	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	433.332
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
59.01374	0.6
61.98830	0.3
69.38484	1.5
70.41969	0.2
77.04433	0.2
78.95905	0.8
87.31909	0.2
93.73799	0.1
95.98536	0.2
96.96032	0.3
105.64405	0.2
117.91962	0.2
138.55421	0.2
143.74498	0.2
164.18436	0.2
165.17078	0.2
266.35690	0.2
364.18286	0.2
364.99341	0.2
389.34286	0.3
393.08289	0.2
415.32062	1.1
416.32019	0.2
433.33200	100.0
434.33527	15.0
451.34268	18.2
452.34613	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	433.3321
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
51.95198	0.4
55.61890	0.2
59.01378	1.6
60.09915	0.2
61.98802	0.3
66.26865	0.2
70.45084	0.6
70.45460	0.4
74.51849	0.3
75.74874	0.3
78.95905	18.2
81.37396	0.2
96.95929	0.4
96.96973	1.5
105.37470	0.3
107.56776	0.2
140.99191	0.2
150.97977	0.4
152.99586	26.9
171.00584	0.9
293.70883	0.3
299.99216	0.3
343.07645	0.4
415.32440	0.3
433.23569	3.5
433.33191	100.0
434.24249	0.6
434.33514	14.4
451.34265	35.8
452.34659	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	434.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85057	1.6
57.03449	1.6
58.02976	8.6
59.01382	18.8
60.78812	1.4
63.82015	1.4
64.81425	1.4
65.37574	1.5
66.03482	1.6
70.73804	3.2
70.74134	2.0
70.85585	1.5
71.01376	14.5
72.00862	2.7
72.99310	2.5
73.94361	1.4
74.02471	18.4
75.00873	8.8
82.02964	2.6
83.05031	4.7
85.02956	11.8
86.02486	7.6
87.00848	3.2
87.05636	5.4
89.02486	4.0
90.00212	2.5
93.03478	2.9
95.01385	2.7
97.04091	2.7
99.00856	4.6
99.05645	15.4
101.07205	2.4
102.05569	2.7
109.04124	1.8
111.00855	1.8
112.04014	12.4
113.02451	12.2
116.92861	2.1
120.01199	2.4
122.06122	2.1
123.05619	3.5
124.04021	12.4
125.03572	2.3
127.04002	3.0
127.05183	2.8
128.03545	47.6
135.05630	5.2
140.07184	6.0
141.06700	4.3
143.04626	60.7
145.06154	3.3
146.04585	5.9
153.06671	4.4
160.00755	14.9
165.72670	1.5
166.05090	12.8
166.09885	2.9
167.04552	2.4
173.04515	3.7
177.03412	5.2
179.04599	10.4
180.04886	2.0
184.06200	12.8
184.11061	1.7
185.05685	2.0
191.05612	2.9
197.05563	1.7
210.08897	11.4
231.05147	1.9
239.78168	1.7
242.07860	1.9
249.06126	27.8
254.07808	16.3
267.07162	18.4
272.08890	35.1
273.08905	1.6
288.06573	8.2
306.07642	100.0
307.07944	7.1
434.13004	31.9
435.13434	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	433.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01381	4.5
61.98861	0.6
65.17091	0.6
68.03968	0.6
71.52229	0.7
94.90807	0.6
97.06592	0.5
117.03461	16.3
118.03802	0.9
119.05029	27.4
120.05338	1.3
121.02928	1.5
133.03001	0.7
145.02953	100.0
146.03304	4.8
163.04015	15.9
164.04344	1.2
178.76634	0.6
226.81763	0.6
227.82945	0.6
265.62952	0.7
269.21161	2.5
269.43311	0.6
287.22272	7.8
291.23300	0.7
299.99155	1.1
300.99756	0.8
313.06140	1.2
337.16290	0.6
345.28030	0.6
415.24957	0.7
433.03983	0.9
433.10168	1.0
433.25845	33.4
434.26248	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.99308	0.3
53.46062	0.2
57.40333	0.2
58.53149	0.2
59.01375	1.2
61.98808	0.2
62.96411	0.3
65.53973	0.3
71.51695	0.4
71.52106	0.3
78.95903	54.6
80.30378	0.2
85.44527	0.2
96.95999	0.4
96.96962	6.4
121.98648	0.2
134.93504	0.3
136.27159	0.3
150.97990	1.8
152.99582	100.0
153.19943	0.3
153.99921	1.6
171.00636	3.8
193.27182	0.2
268.98853	0.3
270.21024	0.2
279.23267	0.9
299.99179	0.5
433.23499	5.6
433.32898	0.5
434.23785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99588	0.8
57.03470	0.9
59.01381	100.0
60.01702	2.1
61.98827	1.9
70.38249	1.9
70.38647	1.5
71.01391	9.7
85.02956	2.5
89.02448	6.4
95.01357	1.1
98.11161	1.0
99.00883	0.9
101.02445	5.0
109.82436	0.8
113.02443	3.8
119.03486	2.5
125.02418	0.8
126.30122	0.8
161.04556	6.8
180.91182	0.8
243.02911	1.0
283.06042	1.2
284.06598	0.9
285.06601	2.4
301.23743	2.5
311.05515	1.0
313.06183	4.8
343.07297	2.1
373.22299	16.8
374.22589	1.7
424.38235	0.9
433.10217	4.7
442.08685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01370	3.8
59.24986	0.4
61.98835	0.9
70.65013	1.7
88.81041	0.5
90.93829	0.5
117.03470	17.5
119.05030	27.8
120.05338	1.2
121.02966	1.9
133.02930	0.6
135.04527	1.2
145.02956	100.0
146.03291	4.4
163.04007	17.9
164.04353	1.2
221.62828	0.6
222.69411	0.5
224.57442	0.5
234.62267	0.6
269.21194	1.6
287.22296	7.7
288.22507	0.7
299.99081	1.4
300.99835	1.1
313.06244	1.1
433.04218	0.6
433.10309	1.2
433.25854	37.5
434.26279	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	433.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15592	1.1
59.01382	8.3
61.98833	12.6
80.05066	6.0
87.12555	1.1
92.05093	1.4
94.06623	7.7
96.00900	1.3
96.08157	1.2
97.01714	6.0
98.19892	4.6
102.70847	1.3
104.05054	1.7
106.06639	3.0
108.04540	1.5
109.05333	2.0
120.04583	6.2
121.05361	2.1
122.06126	29.2
124.03989	1.3
124.07686	32.7
136.04053	12.9
138.05548	1.9
140.07121	1.8
148.04048	63.3
149.04372	2.9
150.05612	22.9
166.05106	17.7
168.06723	7.7
169.07016	1.3
178.12256	1.4
194.04597	3.8
210.04117	3.9
210.07999	1.2
215.08374	1.5
215.11804	1.9
223.62038	1.3
228.09300	1.4
230.10463	1.6
231.11371	5.2
240.09244	1.6
243.11320	4.3
245.12852	1.6
255.11417	1.7
273.09460	2.4
273.12445	37.7
274.12747	5.9
283.05746	1.9
284.06223	1.3
285.06851	2.3
291.13501	41.8
292.13742	2.6
301.20163	4.0
307.56213	1.5
311.05664	2.1
311.86810	1.5
312.05878	1.4
313.06165	6.5
317.11386	11.4
334.11734	4.9
335.12485	100.0
336.12814	9.6
369.01547	1.4
389.20779	5.7
433.10474	4.6
433.19635	15.5
437.25336	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	433.1146
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.05122	0.5
59.01110	0.7
59.01384	11.1
61.98829	1.2
63.02402	3.6
65.00328	10.1
65.03948	0.5
71.01379	1.6
73.02941	0.9
73.50967	0.5
77.03953	0.5
82.75498	0.5
83.01392	9.3
83.05541	0.5
84.01725	0.5
85.02935	0.6
89.02448	0.9
93.03463	5.2
95.01389	0.8
98.19823	0.8
99.12704	0.5
101.02454	1.7
102.02814	0.5
105.03483	0.5
107.01396	17.2
108.99308	0.4
113.02455	0.8
117.03489	2.8
117.93211	0.5
119.05029	33.8
120.05370	2.0
121.02988	0.7
125.02448	3.8
125.53219	0.4
133.02917	0.6
133.78938	0.5
134.04659	0.6
137.02391	0.7
143.05066	1.1
145.02959	5.3
149.02435	1.1
151.00372	60.3
152.00720	1.9
161.02457	0.6
161.06032	1.4
165.01952	5.6
169.01450	3.1
177.01965	4.5
185.06075	2.4
187.03940	3.2
193.01349	0.6
197.11800	0.5
199.07719	0.6
209.06383	0.5
227.07164	3.8
229.05153	0.7
229.43153	0.6
269.04337	0.7
271.06122	100.0
272.06491	9.2
283.06110	2.6
284.06381	2.4
285.06650	4.4
295.06204	0.5
309.48679	0.5
311.05563	3.9
312.05923	3.4
313.06049	14.9
314.06177	0.8
343.07193	1.6
433.11243	12.0
434.11298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
61.98830	100.0
70.50759	2.1
70.65777	2.2
70.92924	6.5
76.74821	2.5
78.95911	4.7
84.06689	2.3
89.83298	2.3
139.91428	2.3
198.53679	2.3
312.05878	5.5
376.89664	2.7
430.05539	2.7
432.09875	3.1
433.33258	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	433.1139
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.25100	0.6
55.01857	0.5
57.03420	0.5
57.22840	0.5
59.01382	6.2
63.02369	0.8
65.00330	5.1
68.99779	0.9
69.03403	1.5
69.25971	4.9
71.01331	2.2
75.00852	0.9
77.03941	0.7
79.01850	1.4
81.03468	2.7
83.01381	2.9
85.02935	0.7
89.02409	1.0
90.96754	0.5
93.03461	6.4
95.01347	2.3
95.04957	0.6
96.95954	1.1
97.02962	4.8
101.02435	0.7
105.03401	1.8
107.01399	6.1
109.02914	2.1
111.04472	0.6
113.02386	0.9
117.03413	0.8
119.05032	38.9
120.05298	2.0
121.02960	7.3
123.00807	2.3
123.04459	1.7
125.02454	15.3
126.02721	0.7
133.02898	0.6
135.04451	0.8
136.01588	1.4
137.02481	4.5
143.05066	3.3
145.02936	3.9
148.01578	0.6
149.02461	5.8
150.20450	0.6
151.00385	13.0
151.03978	1.1
155.03474	1.1
159.04453	0.7
161.02393	0.9
161.06027	1.9
163.00380	6.0
163.03923	1.3
164.01128	1.2
165.01935	11.1
167.03470	3.1
173.04564	2.6
177.01967	2.9
179.03520	2.4
185.06184	2.4
187.04022	3.7
189.99019	0.6
190.99792	0.7
191.03465	2.0
193.01421	25.5
194.01772	1.4
205.01340	2.0
207.02913	1.9
208.77176	0.5
210.65495	0.5
219.02933	2.3
223.02538	3.4
227.07027	1.6
229.05087	0.6
237.73564	0.5
241.08611	1.1
251.87454	0.6
267.06918	0.9
269.08157	2.1
271.06122	11.0
272.06482	0.9
283.06100	2.0
285.07550	0.6
301.20227	3.7
313.07169	100.0
314.07532	9.5
325.07114	2.2
337.63422	0.5
343.08215	26.0
344.08514	2.9
344.12601	1.4
355.08194	1.7
359.15115	2.5
397.09409	0.8
415.10376	2.3
433.11450	18.1
433.17026	1.2
434.11606	2.2
434.47668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.9
61.98831	100.0
67.63791	0.7
69.57059	4.4
71.66886	0.7
75.39791	0.6
76.39233	0.6
76.93130	0.8
117.03498	2.0
118.03792	1.0
122.06197	0.8
124.07682	0.9
128.10710	0.7
147.08929	0.6
148.04027	1.4
161.02524	1.0
161.04518	0.7
245.78581	0.6
248.63425	0.7
270.05014	0.7
273.12543	1.0
282.04797	0.7
283.06070	3.4
284.06412	8.1
296.06503	0.6
311.05551	4.9
312.05957	16.7
312.09286	1.0
313.06531	1.3
324.06180	1.3
335.12680	2.2
341.06631	0.8
342.06903	3.6
432.10220	13.8
432.15607	1.2
433.10745	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	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29299	0.7
52.77726	0.8
59.01385	8.1
59.78751	0.7
61.98833	100.0
69.22440	5.7
69.22847	1.9
71.01378	1.1
76.71032	0.7
117.03462	1.9
121.02991	1.0
135.48782	0.8
135.59734	0.7
152.01369	0.6
167.03435	1.3
213.57701	0.8
261.24219	0.8
269.04526	1.1
281.04517	1.0
282.05106	2.4
283.06027	4.8
284.06445	10.3
311.05576	5.2
312.05954	22.3
313.06314	1.6
324.06155	2.1
342.07083	5.6
383.28616	0.9
432.10233	15.0
433.10873	1.5
433.20966	0.9
450.15588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01392	2.6
60.95966	0.2
69.26876	2.2
78.95907	56.0
79.37991	0.3
88.08770	0.2
96.96964	6.9
98.20744	0.3
117.03436	1.5
121.02927	0.3
135.04579	0.4
144.23332	0.2
149.02382	0.3
149.34789	0.2
150.98062	1.7
152.99591	100.0
153.99939	1.8
155.03835	0.3
161.02434	0.4
163.00471	0.2
163.04146	0.5
166.41272	0.2
171.00665	3.8
183.04422	0.3
197.06018	0.2
237.05653	0.3
239.07030	0.5
268.03818	0.3
269.04590	1.2
277.21704	0.5
281.04510	0.9
282.05399	0.6
283.06100	6.7
284.06516	0.5
293.04404	0.3
295.06216	0.6
298.85175	0.3
311.05609	11.1
312.05972	1.0
323.05716	0.7
341.06647	3.2
349.20541	0.3
371.29218	0.4
413.08734	0.3
431.09811	6.1
431.22632	5.0
431.31638	28.3
432.09955	0.9
432.22430	0.7
432.31717	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	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03443	3.0
59.01378	14.3
67.01876	0.6
68.99818	1.3
71.01009	1.2
71.01380	18.2
71.51760	1.1
71.79563	0.6
72.99291	2.9
73.02941	1.2
75.00461	1.2
75.00870	11.6
80.14966	0.6
81.03439	0.9
83.01395	0.6
85.02950	17.1
87.00880	6.3
89.02446	7.3
93.03449	1.5
95.01386	3.3
95.05034	0.9
97.02955	0.6
99.00877	5.8
101.02422	0.9
103.00386	1.7
104.72014	0.6
109.02946	0.7
110.02452	0.9
111.00914	0.6
113.02451	23.5
115.00378	1.0
117.01928	1.4
122.02499	0.9
123.03269	13.9
123.04274	0.7
125.02435	2.9
129.01949	1.8
131.03513	1.1
136.36964	0.7
137.04820	0.6
138.05611	68.5
139.05946	2.5
149.04567	0.8
151.03923	0.6
164.03551	5.7
167.23451	0.6
175.02419	2.2
186.36635	0.7
191.05611	1.0
249.06151	22.2
250.06451	1.3
256.08215	1.1
267.07208	100.0
268.07544	5.8
432.11081	11.0
432.17188	0.6
433.11740	0.9
433.17557	0.7
459.64423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01381	27.2
68.99258	0.6
69.03461	1.7
69.31885	4.1
71.01382	11.5
71.05012	0.5
73.02950	13.0
79.01897	0.7
83.01379	2.7
85.02956	2.2
89.02459	1.3
91.94515	0.6
93.03509	0.6
95.01347	0.6
96.47662	0.4
97.02975	0.9
97.06569	0.5
101.02440	9.2
111.08168	3.9
113.02453	4.7
114.19481	0.5
116.86925	0.5
117.03487	2.8
119.03513	0.9
121.02948	0.7
123.41949	0.6
125.02449	1.0
131.03458	0.6
135.04529	1.0
143.03481	1.2
144.20694	0.5
149.04573	1.0
155.03529	1.0
159.04482	0.7
161.02464	1.5
161.04549	1.9
165.12852	41.6
166.13133	2.7
181.12329	0.6
183.13899	80.9
184.14240	4.3
191.10768	1.0
197.15411	0.9
203.05600	1.3
207.13982	4.4
209.11816	4.7
225.14865	1.2
227.12892	100.0
228.13232	7.1
249.15001	0.7
251.12878	14.7
252.13277	1.1
254.05833	0.6
263.13016	1.2
265.14615	0.9
268.03854	1.0
269.04559	1.5
269.13928	1.3
276.73822	0.6
281.04639	1.7
282.05283	1.9
283.06140	15.5
284.06396	1.6
293.13943	3.5
295.05869	1.2
311.05606	23.4
312.05859	2.2
323.05695	1.9
324.06039	0.6
335.14990	1.8
341.06662	6.0
347.48059	0.5
431.05017	0.5
431.09778	12.1
431.18799	1.0
432.10333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14967	1.5
52.76664	1.6
57.03447	4.3
59.01382	61.2
61.84573	1.4
61.98838	3.6
67.01897	1.8
68.99825	2.0
69.03450	1.7
70.72363	1.4
71.01378	34.3
71.50670	1.6
72.99297	8.5
73.02951	2.3
75.00874	23.8
81.03480	3.1
82.63421	1.8
83.01405	1.9
85.02952	29.3
87.00890	10.6
88.98817	4.1
89.01972	1.5
89.02442	9.2
89.05084	1.6
93.03454	21.3
95.01392	6.7
96.96029	2.4
99.00890	14.6
101.02472	4.3
103.00402	5.1
109.03008	2.5
112.98802	4.5
113.02450	36.2
115.00405	2.8
117.01952	2.4
117.03461	3.2
119.05026	22.5
120.01258	5.0
121.02966	98.5
122.03329	4.9
123.04531	3.0
125.02443	11.9
127.52460	1.6
128.03590	2.0
129.01901	3.2
130.08748	2.6
137.02460	32.3
137.03516	2.2
138.05620	8.0
138.65034	1.4
145.02962	11.1
149.02325	1.7
151.04004	7.0
161.02554	3.1
163.04002	19.6
165.01984	2.0
167.04633	2.6
173.04623	2.8
175.02515	3.3
181.04994	10.1
182.05304	1.7
191.07111	2.2
195.06612	3.8
210.05247	4.6
225.11406	2.0
231.05054	2.2
237.07654	4.7
245.08252	1.9
249.06163	57.2
250.06493	3.1
267.07202	57.3
267.09940	3.3
268.07559	3.1
283.06207	4.2
289.28189	2.0
299.07721	3.3
309.08221	14.9
311.05603	7.0
341.14734	7.0
413.10919	34.6
413.15915	1.2
431.11996	100.0
432.12543	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	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89902	0.3
59.01387	1.6
61.98825	0.6
63.02406	1.1
65.00327	0.7
69.23871	0.7
69.24274	2.3
77.03965	0.3
78.56570	0.4
83.01408	0.7
83.22971	0.4
87.25607	0.3
88.11651	0.3
107.01411	2.2
117.03456	3.7
121.02959	0.7
130.87894	0.3
135.04538	0.6
149.02441	1.5
149.99568	0.7
151.00377	3.0
159.04547	0.9
161.02420	1.0
171.04510	0.7
172.05287	0.4
184.05286	0.5
195.04420	0.4
196.05283	1.3
200.04790	0.7
201.05711	0.4
211.03998	1.5
212.04669	0.7
224.04729	0.4
239.03500	3.6
239.07292	0.6
240.04282	4.6
241.04643	0.5
253.05139	0.6
253.08853	0.4
267.02957	2.0
268.03775	100.0
269.04477	32.2
270.04947	2.0
281.04568	1.2
282.05286	1.1
283.06122	8.2
284.06277	0.4
293.04739	0.7
295.06210	0.6
311.02069	0.8
311.05630	15.0
312.05859	1.2
323.05679	1.4
327.05334	0.6
341.06668	4.0
353.06964	0.5
431.09842	83.6
432.10190	9.7
453.57410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88326	0.8
62.75595	0.6
63.01899	0.6
63.45876	0.7
65.00303	0.6
70.27173	1.6
70.27568	1.7
77.03977	3.3
79.01888	2.5
82.89798	0.6
90.94298	0.7
93.03432	2.2
96.69872	0.6
105.03468	1.2
117.03468	14.2
118.03734	0.9
119.04984	0.8
121.02983	3.3
135.04532	2.6
149.02409	2.0
159.04543	2.0
161.02495	3.7
163.00409	0.8
163.04066	4.2
165.01959	1.4
171.27486	0.7
173.02464	1.4
183.04366	0.8
189.01886	0.8
191.03485	1.2
197.06097	1.3
203.03317	1.0
210.58846	0.8
211.07671	0.7
225.05409	1.1
227.96521	0.8
239.07117	2.2
240.04256	0.7
268.03668	3.0
269.04523	3.5
281.04623	5.3
282.05350	2.6
283.06119	52.2
284.06445	4.4
293.04645	2.0
295.06204	2.7
311.05609	100.0
312.06012	14.7
323.05545	4.4
341.06677	17.4
342.06964	2.3
353.06650	1.1
413.08829	1.3
431.09824	57.7
432.10153	12.3
447.06699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
71.29218	0.6
77.03971	3.0
79.01903	1.3
88.80827	0.5
93.03451	2.6
105.03452	1.2
107.01348	0.6
109.26122	0.4
117.03465	11.4
119.05016	1.5
121.02952	3.3
123.04469	0.6
135.04532	3.6
145.02934	0.9
147.04590	0.8
148.01680	0.5
149.02464	1.5
159.04485	2.5
161.02463	5.1
163.00380	1.2
163.04031	4.4
165.01900	1.4
173.02472	0.6
175.00392	0.6
179.03514	0.8
182.03680	0.7
183.04521	0.7
191.03494	1.5
196.05191	0.7
197.06061	1.4
203.03491	0.8
211.07626	1.2
224.04742	1.2
225.05550	0.6
239.07106	2.3
241.04947	0.5
253.05061	0.9
268.03766	2.9
269.04535	2.4
281.04596	5.3
282.05283	2.4
283.06119	58.1
284.03223	2.6
284.06433	4.7
285.03952	1.6
293.04550	2.7
295.06152	2.2
309.03909	0.6
311.05606	100.0
312.05920	8.1
314.04221	0.7
323.05557	4.5
325.07132	0.5
341.06598	14.1
342.06921	1.4
413.08957	0.6
431.09808	43.5
432.10178	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	429.3007
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
50.33357	0.8
50.33670	0.9
50.57943	0.8
59.01381	63.1
60.01718	1.1
61.98830	1.1
71.05018	1.4
79.52470	0.8
98.20672	2.1
110.60686	0.8
112.99316	0.8
116.31965	0.9
127.93584	0.9
177.06328	0.8
349.49194	0.9
351.26889	1.3
399.28876	1.4
401.75223	0.9
405.65149	0.8
416.53455	0.8
429.30072	100.0
430.30414	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	429.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90865	0.4
66.38628	0.5
69.92070	0.9
69.92480	1.5
72.99312	13.4
73.02947	8.1
75.00875	79.2
76.01229	0.8
92.47289	0.4
94.04506	0.4
108.89798	0.4
166.22798	0.4
309.31631	1.0
334.19540	0.5
337.34735	0.8
429.35818	100.0
430.36172	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31974	0.4
55.01880	0.8
56.92657	0.4
57.03455	0.6
59.01379	100.0
60.01719	1.0
60.98777	0.4
69.30392	0.8
69.30792	3.1
69.81060	0.4
71.01383	15.0
72.99317	0.7
73.02947	3.4
83.01395	2.3
85.02959	5.1
87.00888	1.2
89.02442	9.7
95.01392	1.6
95.60080	0.4
98.19938	0.9
99.00900	0.9
101.02453	8.9
113.02452	8.8
119.03472	3.4
125.02464	0.7
137.09714	1.0
139.25348	0.4
143.03528	0.7
161.04573	2.8
163.11288	1.2
179.05659	1.4
189.12930	0.8
191.09499	0.4
207.14044	0.9
223.13446	1.3
225.14960	3.0
250.99680	0.5
267.12415	1.8
369.19189	11.3
369.23621	0.7
370.19629	1.0
387.20203	14.9
388.20636	1.4
429.21445	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88081	0.4
55.01880	0.7
57.03429	0.4
58.00587	0.6
59.01379	100.0
60.01728	1.1
69.28049	1.1
69.28466	2.0
71.01381	11.7
72.99309	0.6
73.02937	2.0
79.48568	0.3
83.01390	0.8
85.02952	3.8
87.00902	1.0
89.02444	13.3
95.01430	0.9
99.00865	0.9
101.02437	7.9
113.02451	6.6
113.03155	0.5
119.03504	4.8
131.03540	1.1
137.09752	1.8
143.03557	1.0
148.56349	0.4
161.04544	3.0
163.11240	0.4
164.31969	0.4
179.05637	3.0
225.15045	1.3
267.12268	0.5
369.19080	4.8
387.20178	8.0
388.20816	0.7
429.08710	0.5
429.21710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
51.78552	0.6
54.04789	0.5
55.01876	1.2
57.03452	2.6
58.00595	1.0
59.01383	100.0
60.01728	1.0
60.93089	0.5
69.89601	2.7
71.01386	23.1
72.99310	1.0
73.02946	8.3
75.00814	0.5
83.01380	3.2
85.02959	9.1
87.00885	2.2
89.02452	11.4
95.01389	3.0
99.00922	1.7
101.02452	17.2
113.02449	8.8
119.03491	5.2
125.02479	0.9
131.03531	0.7
135.04631	0.6
137.09694	0.6
143.03548	1.8
161.04601	2.5
163.11234	0.6
179.19240	0.5
195.13808	0.6
197.15532	1.5
205.12326	0.9
207.13960	1.9
209.15474	0.6
225.14966	9.6
309.04156	0.7
369.19174	31.9
370.19510	3.2
387.20258	46.6
388.20621	5.0
429.21347	11.2
430.21848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.2
71.21539	0.4
86.92698	0.2
99.00876	0.3
99.92583	5.2
100.92706	0.3
100.93365	6.7
101.93373	0.4
115.92077	100.0
116.92085	5.4
116.92870	6.2
117.92959	0.2
132.92331	1.0
142.94434	0.3
172.95461	5.4
173.95613	0.2
212.88150	0.2
255.23175	0.8
309.61465	0.2
336.50040	0.2
355.15851	0.5
356.16531	0.2
371.15167	0.3
381.17499	0.7
411.18411	0.3
429.19489	3.6
430.19769	0.7
439.61499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88081	0.4
55.01880	0.7
57.03429	0.4
58.00587	0.6
59.01379	100.0
60.01728	1.1
69.28049	1.1
69.28466	2.0
71.01381	11.7
72.99309	0.6
73.02937	2.0
79.48568	0.3
83.01390	0.8
85.02952	3.8
87.00902	1.0
89.02444	13.3
95.01430	0.9
99.00865	0.9
101.02437	7.9
113.02451	6.6
113.03155	0.5
119.03504	4.8
131.03540	1.1
137.09752	1.8
143.03557	1.0
148.56349	0.4
161.04544	3.0
163.11240	0.4
164.31969	0.4
179.05637	3.0
225.15045	1.3
267.12268	0.5
369.19080	4.8
387.20178	8.0
388.20816	0.7
429.08710	0.5
429.21710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	70.1
69.16673	35.7
70.45718	100.0
75.18546	27.0
89.49980	27.2
96.96001	48.2
134.96472	26.0
196.92966	37.0
290.65643	32.6
409.09985	44.2
431.31638	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35880	0.5
57.03451	2.6
59.01380	14.9
61.98819	1.4
68.99831	0.9
69.03455	0.9
69.67912	1.5
69.68319	1.8
71.01383	19.3
72.99316	2.8
73.02973	0.6
75.00874	11.4
82.61168	0.5
83.01395	0.8
84.47414	0.6
85.02952	20.0
87.00879	8.9
89.02453	7.0
95.01379	3.4
99.00881	6.0
101.02474	1.0
103.00381	2.1
111.00903	0.6
112.01665	0.7
113.02453	32.7
114.02810	0.7
115.00352	1.3
116.49052	0.5
117.01933	1.8
129.01942	1.3
131.03465	1.0
133.02980	7.3
134.03705	1.9
135.04530	22.8
136.04832	0.9
149.15063	0.6
157.01405	0.7
161.02448	25.8
162.02751	1.5
169.93071	0.5
175.02443	1.3
179.03513	10.6
180.03864	0.6
207.05083	1.8
249.06136	4.7
253.07205	1.6
267.07208	100.0
268.07544	4.5
281.14008	1.4
372.31342	0.6
411.08911	0.8
429.10339	42.8
430.10757	5.1
433.04361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10753	0.4
55.01879	1.2
57.03453	1.1
58.00601	1.3
59.01381	100.0
61.98838	0.5
69.03471	1.4
69.54884	2.5
71.01385	34.7
72.01738	0.5
72.99321	1.2
73.02950	41.9
74.03288	0.8
75.00898	0.6
83.01388	10.1
85.02951	5.4
87.00898	2.0
89.02447	13.7
95.01402	1.9
97.03004	0.6
99.00894	1.1
101.02448	36.4
102.02818	0.8
113.02452	14.6
113.30358	0.4
119.03500	5.0
123.08166	1.8
125.02477	1.8
125.09682	0.6
131.03508	3.1
135.08215	0.8
138.88448	0.4
143.03481	3.6
147.08211	1.6
149.04565	2.7
151.69121	0.4
153.09222	9.2
154.09572	0.8
155.03497	0.7
161.04552	8.5
161.05902	0.6
165.09229	0.5
173.04674	0.5
179.05637	2.0
179.10744	0.6
186.98155	0.4
187.11336	1.7
189.09259	0.7
190.10030	0.5
203.05748	0.6
205.12331	11.9
206.12674	0.9
221.06775	1.0
223.13422	2.4
247.90396	0.4
367.17670	3.8
368.17993	0.6
383.17197	0.5
385.18726	5.9
386.19077	0.6
427.19745	3.1
428.19901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01380	47.0
69.32024	7.6
71.01377	11.4
73.02956	4.8
83.01418	1.6
85.02933	4.9
87.00848	1.1
89.02456	3.2
89.94231	1.1
97.75223	1.0
98.20716	1.8
99.00880	1.1
99.04548	1.4
101.02411	5.1
106.85461	1.0
109.02949	3.9
109.06589	2.1
113.02463	3.3
120.40643	1.0
120.79292	1.0
123.04555	1.5
125.02436	2.0
125.06114	1.1
125.09708	1.9
128.89799	1.0
133.06577	1.5
135.08147	3.1
137.06056	7.2
143.98882	1.0
151.07611	9.4
151.11310	1.2
153.09209	100.0
154.09601	4.9
161.04527	2.3
161.09717	1.3
165.09189	3.8
166.85960	0.9
177.12859	2.0
179.10721	1.2
187.11240	1.6
205.12325	44.1
206.12610	4.2
223.13388	53.3
224.13692	3.0
290.36746	1.1
293.08673	1.3
315.14349	2.8
330.37482	1.0
357.15555	39.2
358.15875	3.1
409.18649	1.7
427.19849	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01379	100.0
60.01704	1.4
61.98815	1.9
62.81098	1.0
69.03446	1.1
69.44033	7.3
71.01384	32.4
72.99291	1.6
73.02944	30.1
75.00864	1.0
83.01379	9.9
83.05003	1.3
85.02942	5.6
87.00879	1.1
89.02453	14.2
93.03410	1.4
95.01385	1.9
99.84411	1.0
101.02442	29.6
109.02914	1.3
113.02453	14.7
119.03495	6.4
119.27077	0.9
123.08163	1.9
125.02433	1.8
131.03542	2.2
135.04466	1.2
135.08163	1.3
137.02318	0.9
143.03473	2.6
148.29240	1.0
149.04591	1.9
153.09181	6.3
155.03525	1.2
161.04549	6.1
163.11237	1.4
173.04559	2.7
179.05592	2.1
179.10800	1.8
181.12180	1.0
187.11304	1.8
192.66713	1.1
205.12296	16.0
206.12605	1.3
221.06573	1.5
223.13405	1.8
281.38831	1.2
288.51883	1.0
346.83844	1.3
346.89828	1.0
362.61288	1.0
367.17551	1.3
383.13278	1.0
385.18658	2.7
386.18842	1.1
427.20215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60806	0.6
55.01859	0.7
55.49571	0.6
57.03450	1.4
58.00610	0.9
59.01385	100.0
59.20089	0.7
60.01715	1.1
61.98848	1.1
69.03461	0.8
69.14890	3.0
69.15316	4.1
71.01388	29.8
72.99328	1.3
73.02953	30.1
73.39673	0.6
75.00899	1.0
81.03500	0.8
83.01392	7.5
85.02969	6.8
87.00887	1.7
89.02451	11.8
95.01399	1.7
97.02992	1.5
99.00892	1.2
101.02455	31.6
107.05096	0.8
113.02459	16.5
119.03515	4.1
123.08167	1.6
125.02468	1.6
128.75911	0.7
131.03517	1.7
134.54002	0.7
143.03548	2.8
147.08133	1.4
149.04581	2.6
153.09230	8.4
153.10361	1.0
155.03500	1.2
161.04555	8.4
173.04634	1.3
179.05682	2.9
179.10789	0.8
184.88504	0.6
187.11322	2.8
190.10075	1.0
191.05728	1.0
203.10762	0.9
205.12340	12.6
206.12541	0.8
221.06577	0.9
223.13451	1.2
367.17865	1.4
385.18793	2.7
427.19901	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	427.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.1
57.03440	4.3
58.45874	2.1
59.01109	3.2
59.01384	46.6
60.99312	6.3
69.58294	15.6
71.01385	29.1
72.99288	3.1
73.02941	10.3
74.95707	2.2
83.01382	7.5
85.02944	15.4
87.19133	2.2
88.98808	40.3
89.02438	13.1
97.02984	3.1
99.00894	6.9
101.02447	36.6
109.02934	2.9
113.02451	11.1
115.91956	2.7
131.03534	13.0
133.02972	3.1
149.04550	4.2
161.04601	3.9
173.04503	4.3
219.75868	2.8
220.03748	6.8
235.06108	4.4
235.11899	33.9
243.21916	2.3
265.07169	13.0
357.69897	2.5
367.16064	100.0
368.16394	7.7
427.02197	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.0
61.98831	100.0
70.97069	5.2
70.97388	2.8
77.99739	2.6
88.66955	2.9
138.09308	2.8
138.82823	2.7
148.13344	2.9
162.82057	3.3
360.70255	2.9
391.21234	2.8
427.28513	7.7
427.35126	2.7
454.44485	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13190	2.9
58.00581	3.7
59.01384	49.7
60.99306	12.8
61.98827	7.2
65.45961	3.1
65.59042	2.9
69.03436	2.8
70.82983	7.2
71.01397	30.5
72.99308	4.0
73.02940	12.4
78.95904	3.5
83.01382	8.7
85.02967	14.3
87.00867	5.7
88.98810	97.5
89.02457	16.7
89.99161	2.6
96.95999	12.9
99.00868	6.8
101.02464	31.4
109.02944	3.4
113.02458	11.9
115.92085	3.8
119.05000	6.6
125.02470	3.6
131.03496	10.8
133.02942	6.8
135.04469	5.9
137.02415	3.6
161.04558	6.2
163.04042	3.5
163.60777	3.2
173.04564	6.0
220.03766	27.7
235.06059	13.5
235.11870	35.0
250.04672	3.4
256.15820	3.6
265.07199	38.2
332.85727	3.3
367.16135	100.0
368.16397	4.8
409.08197	5.8
427.02203	6.6
427.12726	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	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42968	0.9
55.01878	1.6
57.03453	72.8
58.03779	1.2
59.01385	100.0
61.98825	1.8
70.35087	1.8
71.01384	20.1
72.99323	1.8
73.02948	12.4
78.64569	1.0
81.03474	2.1
83.01395	5.1
85.02968	7.3
89.02453	8.4
95.01419	1.4
99.04530	60.0
100.04854	1.2
101.02448	24.7
109.02965	0.9
113.02473	9.6
119.03503	3.6
123.04511	1.8
125.02448	21.8
126.02777	1.2
126.36363	1.0
130.08783	1.6
143.03490	2.5
149.04568	1.3
153.09145	1.3
161.04558	6.0
179.05542	2.2
181.12306	1.3
183.93019	0.9
187.11226	3.0
189.12808	1.1
190.09900	1.8
193.89012	1.0
200.14117	1.0
205.12305	5.8
233.11835	1.9
283.11890	5.1
312.32733	1.1
427.19516	3.0
427.29047	1.8
449.28323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82682	1.6
57.03452	98.7
58.95779	1.5
59.01383	100.0
60.51667	1.5
69.35034	1.9
69.35436	11.2
71.01383	18.5
73.02946	4.6
85.02959	5.2
89.02445	14.4
92.58078	1.9
95.01401	1.5
98.20734	1.7
99.04523	92.4
100.04852	2.7
101.02443	23.6
113.02457	9.1
119.03505	4.8
123.04507	2.2
125.02453	32.8
131.19444	1.4
143.03537	2.0
149.04558	2.0
152.99667	1.7
153.09209	4.2
154.22903	1.6
161.04526	5.4
179.05644	3.0
205.12340	12.2
223.13474	3.6
259.21060	1.5
281.08475	1.7
296.14786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88517	1.0
59.01374	8.6
71.01380	12.4
71.50845	1.4
72.99310	2.5
73.02943	3.9
78.95905	9.2
83.01347	2.0
85.02956	4.0
89.02450	3.9
93.03468	1.2
96.96014	53.8
96.96937	8.2
99.04510	1.8
101.02438	7.9
108.02149	1.6
109.02951	2.0
113.02458	7.0
119.03532	1.4
121.02949	2.8
122.03737	100.0
123.04613	11.1
135.04524	2.6
137.02431	1.7
137.06064	1.9
143.03477	2.4
147.04515	1.9
159.03032	1.4
161.04558	14.2
162.89375	1.1
165.04356	1.1
165.05536	5.6
173.04660	1.5
177.05592	2.3
190.51619	1.0
191.05420	1.3
191.08296	1.2
221.09317	1.4
224.69800	0.9
226.08794	1.0
279.10825	7.6
285.09842	4.7
295.10202	1.3
329.08783	42.9
330.09000	4.3
424.75540	0.9
427.14194	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	427.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14219	0.3
55.27121	0.4
58.41359	0.3
59.01383	2.5
60.99308	12.2
61.98837	2.0
69.03453	0.3
71.01397	0.9
71.52012	0.8
75.00877	0.5
78.95913	1.5
81.03426	0.4
83.01386	0.4
85.02956	0.8
88.98808	100.0
89.02451	0.5
89.99122	1.2
91.73434	0.3
93.03465	1.1
96.96019	6.5
96.96940	2.8
99.00877	0.4
101.02447	0.6
109.02994	0.4
110.56895	0.3
111.12895	0.4
113.02445	0.4
115.00365	0.5
119.05061	0.4
121.02911	0.4
133.02942	0.7
135.04486	0.4
137.02475	0.4
145.02977	0.6
149.06061	1.1
151.04063	0.6
161.02417	0.7
161.06053	0.4
163.04037	0.5
165.04054	0.9
167.03506	1.9
173.04581	1.5
174.02797	0.3
174.04900	0.5
175.03885	0.5
177.01935	1.1
191.05621	1.1
220.03789	1.2
222.80727	0.4
233.04594	0.7
235.05954	0.4
235.11905	0.5
237.03967	0.4
249.05949	0.4
265.07120	1.4
277.03448	0.7
287.57300	0.4
329.08841	0.4
337.05734	0.6
384.48804	0.5
409.08319	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	426.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03436	2.3
57.08912	0.5
58.00576	0.7
59.01380	33.6
60.10318	0.6
61.98829	3.0
62.61185	0.6
69.01420	0.5
69.03432	0.5
71.01380	16.0
71.52929	1.1
72.99297	1.8
73.02940	3.9
78.95921	1.0
81.36718	0.5
83.01367	2.9
84.21194	0.6
84.90504	0.6
85.02956	5.5
86.06117	23.7
87.00869	1.7
89.02448	7.4
90.16183	0.5
91.05522	1.4
93.03449	1.0
95.01397	1.2
97.02946	0.6
99.00880	1.0
101.02437	9.5
101.21042	0.5
110.06129	4.4
113.02458	5.4
116.07131	1.0
119.03485	1.7
125.02450	1.4
135.04500	0.9
137.02466	0.8
147.04506	9.1
148.04797	0.5
151.07635	0.6
153.09207	5.8
161.04556	1.1
161.86414	0.7
164.07138	4.7
172.11305	0.7
173.04494	1.6
175.11310	0.9
177.12854	0.7
179.03534	0.9
179.10786	0.7
202.12395	4.0
203.10684	0.7
205.12328	16.3
220.13432	1.7
220.20682	0.7
223.13431	3.9
234.11247	3.7
246.11331	4.9
264.12500	1.7
289.07266	0.7
300.08484	0.7
354.45190	0.6
357.15540	1.0
366.11053	0.7
369.27087	0.7
426.17676	100.0
427.18088	13.1
440.96167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48647	6.1
53.80009	7.7
53.81607	6.6
57.03442	11.0
59.01375	77.5
61.98805	10.2
69.86136	32.5
71.01380	34.6
73.02937	10.7
75.00878	8.0
83.01417	16.3
85.02928	13.7
97.02938	13.8
98.19982	12.9
98.79018	8.3
101.02427	19.1
109.02951	55.6
113.02483	7.0
115.23911	7.0
123.04522	27.7
125.02441	30.9
135.55348	7.8
149.02428	10.8
151.04024	19.3
161.06175	15.3
165.01945	7.9
165.12839	9.4
179.03406	13.7
183.13797	19.1
187.03976	12.4
203.07161	28.6
205.05019	24.2
227.12868	37.1
245.08075	37.3
289.07141	100.0
290.07709	14.3
291.07559	10.9
293.18787	13.4
316.03595	8.0
343.11771	19.4
387.14389	74.6
388.14798	18.0
389.15240	13.4
424.11072	9.6
425.22821	10.7
426.29480	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	425.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08229	1.3
52.42876	0.9
59.01363	3.3
61.98822	1.9
68.37125	0.8
78.95896	2.2
94.17677	1.0
96.96020	1.7
100.91303	0.8
149.09174	1.0
170.36253	1.0
183.13884	9.4
193.12262	0.9
195.13882	23.5
196.14192	2.5
211.13385	34.5
212.13773	2.4
213.14957	8.3
229.20767	1.0
293.21271	6.6
294.77466	1.0
315.26895	3.2
341.24930	1.1
359.25879	2.5
377.27039	2.9
407.28278	1.0
425.29074	100.0
426.29471	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	425.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01379	14.9
59.37294	0.5
61.27568	0.5
71.01384	18.1
72.26899	0.6
72.99311	2.2
75.00880	9.0
83.01386	0.6
84.02145	0.5
84.27774	0.5
85.02950	19.2
85.06593	2.0
85.92889	0.5
87.00873	7.3
87.01369	0.5
89.02448	5.4
89.32098	0.5
95.01393	3.9
99.00890	5.3
101.02429	0.6
101.16727	0.5
101.42542	0.5
103.00397	1.2
109.02995	0.8
113.02459	28.2
113.06094	1.8
114.02760	1.0
115.00356	0.9
115.04001	2.2
117.01958	1.9
123.04531	0.5
129.01945	1.5
137.02426	0.9
151.03969	1.0
157.01451	0.7
175.02443	1.6
175.03963	1.0
175.06133	2.8
187.04050	0.7
205.07059	0.9
207.05051	0.8
229.29276	0.6
243.03036	0.9
249.06117	2.5
255.02937	0.7
267.07214	100.0
267.88812	0.6
268.07596	5.4
309.08310	2.4
407.07617	3.5
413.01260	0.6
425.13077	11.4
426.13458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0878
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03283	1.0
57.03599	1.5
59.01216	0.5
59.01506	0.5
61.98953	0.3
65.00153	0.4
65.00463	0.6
65.03756	0.5
65.04135	1.0
67.02032	0.6
69.03250	0.6
69.03600	0.6
69.06651	0.3
69.32536	2.3
71.01156	0.3
81.03623	0.7
83.01024	1.3
83.01582	3.9
83.04742	0.5
83.05199	0.6
85.03112	0.4
89.04143	0.8
91.02072	0.6
93.03011	0.6
93.03667	1.6
95.01545	0.3
95.05199	0.6
97.03168	1.2
99.99989	0.3
100.00559	0.5
105.03629	0.6
107.04433	0.8
107.05250	4.9
108.02399	1.3
109.02341	2.6
109.03177	15.8
117.03690	0.6
119.05217	0.6
121.02267	0.6
121.03191	1.6
121.06799	0.4
122.03944	0.6
123.03770	1.5
123.04761	12.1
124.01831	0.5
124.05080	0.5
125.01663	1.7
125.02681	13.5
126.02942	0.4
130.04494	0.9
131.04198	0.4
131.05260	2.7
133.03194	4.0
133.06750	0.4
135.01068	0.7
135.04782	1.4
136.01883	0.8
137.02686	16.0
137.06332	0.3
138.02991	0.4
139.04243	1.4
143.05281	1.4
145.03220	0.9
145.06786	0.8
146.03905	0.3
147.04762	1.4
149.01382	0.6
149.02678	6.1
149.06340	0.8
150.03421	1.1
151.02310	0.8
151.04259	25.3
152.04597	1.2
157.06789	0.8
159.04523	3.3
161.02686	4.6
161.06122	1.8
162.03421	0.8
163.00591	0.4
163.04263	5.7
164.01375	0.4
165.05705	0.4
169.06834	0.3
171.04692	0.6
173.04904	0.5
173.06332	1.0
174.03482	1.2
175.03993	23.3
176.01317	0.4
176.04688	1.0
177.00528	0.7
177.01932	12.9
177.05840	1.2
178.02489	0.7
183.04660	0.6
185.06339	1.4
187.02451	0.5
187.03996	12.4
187.07809	0.5
188.04604	1.8
189.02182	1.1
189.05600	2.3
189.57291	0.3
190.02983	1.2
191.03667	0.7
193.05060	3.0
199.04045	1.9
201.02075	0.4
201.05521	1.5
203.03491	1.9
203.07378	0.9
204.04460	1.0
205.05045	4.5
209.06232	0.4
211.03993	4.7
212.04977	0.8
213.02100	0.7
213.05598	3.0
214.02675	1.6
215.03473	4.2
216.04420	0.4
217.01689	0.4
217.05032	3.5
218.05585	0.4
219.02997	1.5
225.05757	0.9
227.03487	4.1
227.07182	0.4
228.04253	3.0
229.01749	0.4
229.05046	10.0
229.08789	0.6
230.05688	1.4
231.02896	1.7
231.06627	1.7
237.05800	0.6
239.03703	0.4
241.05191	0.5
242.02379	0.5
243.02956	4.9
243.06895	0.5
244.03398	0.3
245.04558	0.7
247.06390	1.0
251.07336	0.4
253.05273	2.7
253.08829	0.6
254.05629	0.4
255.02982	20.2
255.06598	0.9
256.03717	11.4
256.06427	0.3
257.04453	4.4
258.05054	0.3
259.06210	0.4
261.04150	0.5
269.04596	2.0
271.06345	0.6
271.09912	0.8
273.04041	10.9
274.04810	1.3
279.06836	0.4
280.03961	0.4
281.04575	7.3
282.01910	1.3
282.05023	0.7
283.02487	4.5
284.03284	1.0
285.04059	4.5
287.05661	0.8
288.02722	1.4
297.04172	1.7
297.07861	2.1
298.04752	0.8
298.07928	0.5
299.05551	2.1
315.08685	1.8
321.07825	0.6
339.08710	14.1
340.09155	1.1
341.06668	1.2
357.09586	1.4
363.08673	1.2
381.09766	6.0
382.10089	0.8
383.07779	0.6
389.06479	1.0
407.07697	100.0
408.08020	12.6
425.08734	12.8
426.09198	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	423.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43218	0.9
59.01379	100.0
61.98831	2.0
68.94748	1.1
71.01380	1.2
71.04996	1.2
71.51298	1.8
82.04879	1.1
83.05006	6.2
96.95995	2.2
298.93262	1.1
319.26270	1.9
319.67084	1.5
345.24216	1.4
363.25354	2.0
423.32675	22.5
424.32764	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	424.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63316	0.4
59.01379	100.0
60.01711	1.2
61.98829	28.7
71.01381	0.9
75.67043	0.4
85.06583	0.9
97.42794	0.3
98.19875	1.0
141.45050	0.4
163.93456	0.4
399.47983	0.4
425.34418	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	425.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.7
60.99313	16.4
61.98849	2.5
71.01392	3.3
73.02953	2.1
83.79135	2.0
85.97957	2.0
88.98805	100.0
89.02415	2.3
91.05333	1.8
93.03465	6.3
96.35702	2.2
101.02467	2.3
109.02982	2.7
125.02459	5.5
133.02954	11.9
135.04523	6.7
137.02457	8.8
145.60796	2.1
151.03976	3.1
161.02440	72.4
162.02824	3.6
173.04549	5.4
179.03496	3.3
190.10010	2.5
191.05623	4.1
335.07703	51.7
336.08054	5.4
407.07535	4.6
425.18896	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26609	0.6
54.00001	0.6
55.01881	6.2
57.03446	4.9
58.00577	2.4
59.01379	42.8
69.03474	0.8
69.42087	1.6
69.42509	3.7
71.01381	57.8
72.01707	1.2
72.99296	2.2
73.02944	33.4
75.00871	2.1
78.49886	0.7
83.00914	1.1
83.01383	14.7
84.02153	0.7
85.02948	31.0
86.00089	2.6
86.03289	0.7
87.00859	4.6
89.01871	0.8
89.02445	16.4
95.01392	3.4
97.02931	4.1
99.00875	13.6
101.02442	69.6
102.02783	1.6
111.00874	3.0
113.02454	23.4
113.03251	1.2
114.02765	0.8
115.04012	1.8
117.17975	0.9
125.02449	5.4
128.28317	0.8
129.01961	1.1
131.03493	6.0
143.03506	3.4
149.04539	2.5
159.02980	4.6
161.04555	19.9
191.05713	0.8
215.05588	1.2
220.84523	0.7
233.06769	3.2
238.23627	0.7
291.18124	100.0
292.18509	7.3
317.99203	0.7
423.22342	85.2
424.22638	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.2
55.07814	0.6
57.03447	6.1
58.00598	3.4
59.01381	83.8
60.01700	1.2
61.24263	0.6
61.43449	0.6
64.51806	0.6
65.76543	0.5
69.03465	2.5
69.91773	2.4
71.01382	92.2
72.01737	1.5
72.99313	6.5
73.02953	27.6
75.00882	1.0
81.03458	1.2
83.01389	20.5
83.75618	0.7
85.02952	37.8
86.00118	1.5
86.03310	1.2
87.00874	6.0
89.02446	48.0
95.01390	4.4
97.02949	4.0
99.00878	11.7
101.02444	86.0
102.02813	1.6
111.00888	8.9
113.02454	27.1
113.72225	0.6
114.02751	1.0
115.04053	2.4
115.86017	0.7
119.03500	1.4
125.02431	5.4
127.11275	1.4
128.01099	0.8
129.01929	1.8
129.12840	0.9
131.03505	32.0
132.03799	1.1
143.03543	4.6
149.04573	11.3
159.03023	3.8
161.04555	20.3
187.06050	0.9
191.05551	1.3
215.05652	1.8
233.06645	6.7
273.17188	1.3
291.18134	100.0
292.18484	8.7
423.22345	74.0
424.22800	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	423.1791
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
56.51132	12.0
57.01928	10.2
59.01386	58.3
61.98833	32.7
65.19073	10.4
71.01374	27.8
80.02188	10.3
83.01384	13.2
88.30512	10.9
89.02460	17.2
97.83310	10.1
98.19840	22.4
112.10228	11.0
113.02515	16.2
125.09723	43.8
130.08698	13.6
173.11789	17.9
187.09785	45.7
191.03549	20.0
219.03026	20.5
258.01395	13.3
303.05078	32.2
333.06342	17.9
423.08505	17.6
423.18225	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.6
57.03453	7.4
58.00596	4.0
59.01380	82.9
60.01721	1.3
61.98827	1.5
64.38173	0.6
68.66705	0.7
69.03452	2.8
71.01381	100.0
71.43874	1.7
72.01723	2.6
72.99306	5.5
73.02947	30.1
75.00868	1.5
81.03453	2.0
83.01386	21.9
83.05047	1.1
85.02950	42.8
86.00106	2.1
86.03239	0.8
87.00866	5.8
89.02447	51.6
95.01365	5.4
95.05031	1.4
97.02944	6.9
99.00890	14.0
101.02441	88.6
102.02743	2.1
109.02943	11.1
111.00885	9.6
113.02451	31.2
115.04023	2.1
119.03514	1.8
121.02924	1.2
123.04530	5.9
125.02440	12.2
129.01985	2.4
131.03499	33.6
132.03833	1.1
135.04570	1.4
137.02432	4.9
139.04015	2.1
143.03494	5.4
149.02483	1.6
149.04543	12.2
151.03995	3.7
159.02992	5.3
159.04222	1.0
161.02512	1.1
161.04565	26.3
161.06035	2.1
162.04819	0.9
164.01163	1.1
165.01918	2.3
167.03452	1.1
173.04610	1.8
179.03513	2.8
179.07111	0.8
187.03969	3.2
187.05675	0.7
188.04729	1.8
191.05586	1.1
203.07167	5.9
205.03459	0.8
205.05089	4.8
215.05516	1.3
219.06200	0.9
221.08192	1.3
225.14943	1.8
227.07001	0.8
231.02916	1.1
233.06624	7.0
245.08185	8.4
246.08588	1.1
247.05763	0.8
273.17139	1.8
289.07184	37.0
290.07626	3.6
291.18127	94.1
292.18494	8.0
343.11868	5.7
344.11996	0.8
344.38599	0.8
369.13077	1.0
387.09509	1.0
387.14474	29.3
388.14716	4.3
423.22354	71.9
424.22540	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04171	9.2
69.19917	100.0
69.20226	13.9
70.83112	9.9
101.89862	10.3
220.76025	12.5
304.46246	11.3
423.17889	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37045	4.8
59.01379	28.5
61.98830	7.5
71.01384	15.1
71.52209	5.0
83.01414	5.2
85.02966	8.3
89.02438	12.9
89.95351	5.0
101.02439	6.4
109.02943	11.4
121.02983	5.6
123.04506	5.8
125.02431	4.9
125.09735	20.7
133.02960	23.3
137.02467	7.6
160.47705	5.4
173.11867	6.7
187.09715	16.3
231.92310	5.5
243.00331	5.7
245.64749	5.7
387.19965	12.8
423.09277	22.8
423.17966	100.0
424.18396	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	423.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21231	0.5
58.71474	0.5
59.01375	3.1
61.98835	0.9
64.93565	0.6
71.01379	1.2
72.99269	0.6
73.02951	0.6
75.00864	0.6
78.95908	57.3
79.07256	0.5
79.55899	0.5
83.01412	0.8
85.02960	1.0
89.02458	0.6
90.18607	0.5
96.86836	0.5
96.92102	0.5
96.96084	4.0
96.96966	100.0
98.02515	0.5
98.20611	1.0
101.02435	1.1
109.02980	0.9
113.02449	1.5
119.05053	1.6
123.04504	0.8
125.43260	0.6
129.05589	0.6
137.02458	3.6
138.05576	1.0
146.06139	0.6
149.46901	0.6
163.03993	1.6
163.29587	0.5
173.04547	0.6
177.02008	0.9
178.05072	1.6
191.05728	0.6
228.98578	0.8
249.06183	1.3
255.03139	0.6
261.07736	1.8
267.07092	1.0
267.11398	1.2
285.04153	2.1
285.12561	1.7
308.99182	0.5
313.03629	0.6
323.57898	0.6
329.11493	1.9
423.07413	1.6
423.14746	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	3.9
59.01381	30.0
61.98819	12.2
70.64352	7.3
70.64724	8.6
71.01374	11.8
73.02953	4.6
85.02946	10.2
87.00884	4.3
89.02448	4.8
93.03414	6.1
101.02454	6.5
102.44008	3.5
109.02927	13.3
111.08154	16.2
113.02438	13.0
116.92931	3.4
117.03496	17.7
118.95605	3.8
119.03480	3.6
119.05011	7.9
121.02941	15.6
123.04499	21.6
124.01658	14.7
125.02469	34.8
127.03992	4.3
129.09286	3.8
131.83778	3.8
132.89711	4.1
135.04530	8.8
137.02463	44.6
138.05638	4.1
139.03995	12.4
145.01895	6.4
145.02962	92.1
146.03279	4.0
146.08252	18.1
150.03206	8.9
153.33777	3.7
163.04080	4.1
165.05534	12.0
173.08147	10.3
175.04005	3.8
195.06589	10.1
205.05009	16.0
222.06062	4.2
237.29796	4.3
243.06540	6.5
261.07632	100.0
262.07938	6.8
273.04178	5.1
277.12302	17.7
325.11966	4.1
341.29111	4.1
423.17291	25.0
423.22369	5.1
424.17020	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	421.2266
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
50.36247	0.3
51.70691	0.3
56.40764	0.3
69.12392	0.3
70.58351	0.7
70.58679	0.3
79.95749	1.0
80.96519	100.0
81.96460	0.5
98.19946	0.3
421.22635	26.6
422.22925	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
70.63489	2.7
80.96500	2.8
163.11285	100.0
164.11600	7.2
209.58124	2.6
339.23337	59.0
340.23792	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	421.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01067	0.5
59.01375	11.4
61.98815	1.1
62.05886	0.3
69.88717	2.0
71.01384	1.4
72.99311	10.3
73.02944	0.5
73.51379	0.4
75.00860	0.6
81.03459	1.8
82.22862	0.4
83.01387	1.6
85.02948	0.9
87.00877	19.4
89.02409	0.9
93.03462	1.0
95.05035	1.4
97.02936	2.5
101.02431	0.9
103.00376	5.1
105.01939	1.0
109.02943	12.0
111.00859	0.5
112.98820	1.5
113.02477	1.3
121.02941	1.5
122.03757	0.7
123.04530	7.5
125.02452	12.8
126.02810	0.6
130.99869	1.4
135.04541	1.1
137.02454	6.6
139.04010	2.0
145.02965	2.4
146.03740	0.7
147.04492	0.5
149.00922	100.0
150.01274	2.7
151.04022	3.3
157.06529	0.4
159.04523	1.9
161.02382	0.9
161.06090	2.9
162.03194	0.8
163.04045	0.7
164.01146	1.6
164.04622	0.5
165.01936	1.7
167.03500	0.7
171.10272	1.2
173.04590	0.4
173.06033	0.5
175.04031	0.9
175.07582	1.0
179.03511	3.1
185.06113	1.1
187.04007	1.7
188.04767	2.3
190.02722	0.7
199.07715	0.4
201.05569	0.7
202.06396	1.1
203.07124	7.4
204.07460	0.6
205.05034	4.4
221.08162	2.0
227.07123	1.9
230.05717	0.5
245.08177	7.5
246.08636	0.7
249.06299	0.9
253.04984	1.3
260.09323	0.6
271.06152	5.5
289.07178	45.1
290.07498	4.0
341.06830	0.6
421.07755	3.3
421.16220	2.3
421.21259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38938	10.6
59.01382	61.9
59.59256	9.2
60.29860	9.7
61.98813	20.6
69.21245	100.0
71.01377	19.9
74.91047	9.3
79.83557	8.9
113.02428	13.5
126.27008	9.8
142.23932	10.1
150.03168	13.1
209.04568	18.6
218.77380	11.7
269.13199	12.6
289.20346	11.1
363.15842	10.2
421.16101	38.6
421.20953	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	419.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85780	0.2
61.98835	0.3
69.35888	1.7
70.30473	0.2
81.14410	0.2
91.64388	0.2
92.51649	0.2
96.96009	0.5
116.72457	0.2
128.83855	0.3
140.26495	0.2
194.21004	0.2
333.32172	0.2
419.35284	100.0
420.35629	16.0
437.36328	27.4
438.36798	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	420.2751
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
61.98807	0.6
71.52520	0.8
80.12495	0.5
83.77202	0.5
96.95983	0.7
111.87387	0.5
121.02956	100.0
122.03302	3.2
127.87061	0.5
136.78662	0.4
143.87634	0.5
159.85968	0.7
172.88528	0.5
175.99057	0.4
209.70114	0.4
220.14738	0.5
263.62003	0.4
310.61066	0.5
420.27533	49.6
421.22711	0.7
421.28000	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	419.3531
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.22374	0.2
52.44603	0.2
53.15879	0.2
55.77213	0.2
56.20455	0.2
64.70805	0.2
69.36757	1.5
91.22566	0.2
98.19897	0.3
321.15430	0.2
359.71213	0.2
401.34677	0.2
403.58978	0.2
419.35287	100.0
420.35635	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
58.00573	0.4
59.01379	11.0
61.98828	1.1
69.22874	1.1
69.23294	3.1
71.01379	0.9
72.99300	1.3
73.02956	0.4
74.14952	0.4
84.99302	0.8
85.02953	0.5
87.00873	8.1
103.00368	3.8
109.02925	0.7
112.98808	8.6
114.14756	0.4
124.31149	0.4
126.26025	0.5
130.99849	0.7
137.02415	0.5
145.02988	0.4
146.20667	0.4
149.00862	0.4
155.14426	0.7
162.89928	0.4
169.16029	0.5
175.04041	0.4
197.11838	0.6
199.13419	0.5
231.30534	0.4
241.21875	0.5
269.21274	2.9
285.20694	1.7
287.22275	100.0
288.22623	10.3
419.22595	2.1
419.30164	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	419.1712
Annotation	Stilbostemin H 3'-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.08160	0.5
52.72364	0.5
57.03474	0.9
59.01438	7.9
61.98890	9.8
71.01385	4.3
71.51889	1.0
72.99389	1.7
73.03008	1.6
83.01469	0.9
85.03025	1.9
87.00922	1.0
89.02522	1.7
93.03465	4.3
99.00931	0.8
101.02458	2.8
106.04337	1.6
106.06699	1.7
107.05074	3.3
108.02264	0.6
109.03014	0.9
113.02520	2.2
115.88332	0.5
119.03645	0.6
123.04566	0.9
124.01737	1.7
133.06688	0.9
134.03824	0.8
135.04562	0.7
137.02527	1.2
137.18997	0.6
138.03316	0.9
139.04056	1.1
149.06102	2.9
150.05692	1.8
151.04077	0.6
161.04636	1.6
164.07205	0.5
175.04063	1.1
221.08272	1.5
239.12933	1.1
250.08675	0.6
255.03021	1.2
256.03766	4.7
257.11816	100.0
258.12167	8.2
281.04532	1.3
281.09320	1.6
287.18610	5.9
288.18893	0.9
298.04764	1.3
300.06168	0.6
301.07214	1.0
313.07257	3.7
315.08496	0.8
326.07770	0.8
327.08710	3.9
329.06348	2.7
343.08313	2.4
344.08914	3.7
345.09180	0.6
356.09985	1.2
358.10583	9.5
359.11316	17.5
360.11536	1.6
371.22360	0.6
373.12885	12.3
374.13031	2.0
387.07886	0.7
389.12460	3.8
397.32114	0.6
404.09375	0.8
404.14740	15.7
405.14914	2.5
419.09711	3.1
419.17020	22.7
420.17355	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	419.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
57.03434	1.9
59.01382	22.2
61.98841	5.7
65.00325	1.5
65.99848	1.5
66.97728	0.9
68.10378	1.0
68.99851	0.8
69.15266	2.8
69.15674	7.6
71.01377	13.7
71.05012	1.0
72.99312	2.0
73.02963	1.9
73.63648	0.9
75.00880	4.4
77.22229	0.9
78.03485	1.8
82.03010	0.9
83.01392	1.6
85.02954	9.6
86.41049	0.9
87.00883	2.8
89.02446	7.5
90.03497	6.6
95.01394	2.8
97.06600	1.7
99.00865	5.8
101.02462	6.1
103.01909	7.3
109.02948	1.5
113.02447	12.7
118.02995	1.4
119.03565	2.2
119.05009	1.2
120.04514	2.4
122.02467	5.3
123.04510	1.1
125.02444	2.8
125.09723	9.6
126.10052	1.0
134.02486	8.5
135.04514	12.7
139.07648	3.6
144.48842	0.9
145.24940	1.0
146.02477	12.7
147.04460	1.8
149.02441	1.2
150.03227	1.5
154.05078	8.3
161.04570	1.4
162.01947	4.7
163.01366	2.0
163.02760	42.4
164.03439	3.1
164.07161	4.9
165.05351	1.0
177.04314	1.5
178.05115	14.6
179.05495	1.2
187.09827	4.4
190.01477	20.2
191.01761	2.0
194.00491	0.9
207.01636	1.8
221.03281	1.0
222.04082	100.0
223.04303	4.8
223.06305	1.2
239.12891	1.9
254.06700	43.8
255.07483	5.0
257.08209	1.4
287.10486	4.3
311.10132	1.6
333.04181	1.3
343.12811	1.0
355.09097	4.3
365.54416	1.0
375.16470	1.8
387.12003	3.8
419.14847	20.4
419.19730	5.5
420.15717	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	419.1349
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
52.18145	0.5
59.01383	9.0
61.98820	2.1
65.03960	0.8
69.35950	4.0
71.01382	4.5
72.46015	0.5
73.02941	1.1
73.04092	0.7
74.72450	0.5
75.43571	0.5
81.03487	0.7
83.01402	0.6
83.05020	0.9
85.02966	1.6
87.00879	2.4
87.45955	0.5
89.02456	1.8
93.03467	3.6
95.01412	0.5
97.02878	0.5
98.19970	1.3
99.04514	0.6
101.02447	2.8
103.00385	1.7
106.04247	9.6
107.05043	22.7
108.02192	4.3
108.05392	0.9
109.02934	0.7
112.98827	3.1
113.02454	1.9
119.05036	1.5
121.02969	4.1
129.10313	0.6
135.04541	0.9
138.03238	0.9
147.04518	1.2
152.07185	0.8
164.07182	3.8
168.11456	0.6
182.02159	0.7
186.12448	1.9
195.08188	0.6
202.24434	0.5
210.12489	0.6
211.07648	9.6
212.07935	1.0
213.09213	68.9
214.09554	4.8
233.16437	0.7
255.16045	1.3
257.08203	8.3
258.08603	0.7
287.18582	6.3
288.18936	0.8
376.18756	6.3
419.13470	100.0
420.13779	13.2
420.21719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Gnetifolin E
Peak:m/z	Relative Intensity
59.01379	6.3
61.98825	4.3
63.18285	0.4
66.21331	0.4
71.01376	4.9
71.52197	0.5
71.60718	0.5
72.78039	0.5
73.02917	0.7
85.02930	1.4
89.02437	3.6
95.01339	0.5
99.00841	1.2
101.02452	2.5
108.67117	0.4
109.02953	1.0
113.02413	1.8
118.51619	0.5
119.03395	0.4
121.02919	0.6
125.02397	0.7
126.05903	0.5
131.03473	0.9
135.04478	0.7
149.04497	0.7
161.04518	1.3
171.04480	0.5
172.05267	1.5
173.04492	0.6
180.05811	1.0
185.06013	2.1
190.01460	0.5
196.05257	0.7
197.06075	2.8
199.04041	2.6
213.05496	3.4
213.09108	2.2
214.06195	1.0
222.04018	1.8
223.04086	1.0
224.04790	6.8
225.05447	1.7
226.30063	0.4
241.05054	78.6
242.05721	21.5
243.06160	1.6
257.08185	100.0
258.08511	9.0
336.95724	0.5
419.13229	2.2
419.26645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0984
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
53.89746	2.4
54.57574	2.0
57.03432	2.0
59.01382	17.5
61.46558	2.3
61.98833	40.9
71.01376	10.6
72.55373	2.4
74.02477	3.7
81.03476	8.3
83.01376	13.8
83.05025	5.7
85.02972	7.2
86.03941	2.4
89.02480	3.6
93.03440	4.1
94.10216	2.3
95.01413	4.1
95.05019	4.3
97.02947	7.9
98.19872	7.6
99.00873	3.5
101.02429	5.5
107.04993	3.5
108.02185	2.5
109.02954	29.5
113.02467	4.7
121.02955	9.4
121.06592	2.8
122.03748	9.0
123.04526	53.1
123.08144	3.7
125.06076	22.7
127.04054	5.4
128.03537	6.5
130.80635	2.0
135.04521	11.5
139.03998	6.2
143.04688	6.9
145.02945	4.0
146.03775	2.7
149.02380	14.1
149.06047	3.0
150.03168	2.8
151.03999	14.5
151.07631	2.4
153.01973	3.4
159.04541	4.5
160.00697	2.7
161.02432	7.4
161.06084	13.0
162.03122	5.6
163.00420	6.3
163.03996	7.4
163.07631	5.6
165.05493	5.2
169.05057	7.0
175.04037	4.9
177.01941	5.8
177.05557	2.8
177.09212	4.0
179.03398	2.8
179.07132	5.2
183.14706	2.3
187.04012	7.0
188.04720	2.9
189.05582	5.2
190.01459	10.5
191.03453	13.2
191.07066	3.2
201.05501	2.5
203.07172	6.4
205.01448	4.0
205.05070	15.5
213.05382	2.5
215.03506	7.4
221.03323	6.4
222.04079	4.3
223.06154	5.7
229.05058	4.2
233.04620	3.0
247.06111	7.1
249.05946	3.0
256.03790	4.2
257.04678	2.9
267.05124	2.8
272.08972	7.1
287.12964	6.2
299.05515	4.9
306.07651	2.5
313.10889	6.6
329.06708	8.6
331.11893	3.9
339.08832	8.1
341.06638	11.6
357.09781	6.3
375.10962	6.5
383.07938	6.5
401.08725	100.0
401.17517	4.4
402.09109	10.0
419.09891	83.7
419.14981	14.5
419.19397	9.7
420.10358	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	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11984	0.8
59.01374	5.7
61.98829	100.0
71.01373	4.4
73.02950	1.3
76.12466	0.8
85.02927	1.0
88.33046	0.9
89.02452	1.2
90.80258	0.9
101.02443	2.4
109.02942	1.4
119.79247	1.0
123.04529	1.4
128.03522	1.6
143.04503	1.1
161.04526	1.8
175.04024	0.9
184.68008	0.9
190.01460	2.0
221.03291	1.7
222.04019	1.2
234.87938	0.8
270.86029	0.9
289.07144	1.0
319.60977	0.9
401.08081	1.4
401.17966	1.4
418.17975	1.2
419.09601	1.6
419.14511	3.7
419.19385	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	419.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35177	1.0
55.01870	1.0
57.03434	2.8
58.00577	0.9
59.01107	1.1
59.01380	16.7
62.76786	0.8
67.01860	1.0
69.03431	1.4
71.01009	1.7
71.01381	23.6
71.50442	1.3
71.50815	1.1
72.99310	6.4
73.02937	2.5
75.00870	13.0
76.15230	0.9
78.95898	2.5
85.02951	26.0
87.00878	9.7
89.02444	8.9
95.01385	5.5
96.96012	7.7
96.96966	2.0
99.00882	8.5
101.02438	1.5
103.00373	2.8
107.01392	11.7
108.35582	0.9
108.52102	0.9
111.00844	2.2
113.02450	33.1
115.00349	2.2
117.01949	2.5
123.00871	2.2
124.01644	0.9
125.02446	32.6
126.02792	1.9
128.03508	1.2
129.01907	2.2
135.04573	1.0
139.00359	1.7
140.01137	1.9
149.04541	1.1
150.03125	1.4
151.00359	1.2
154.05057	1.1
165.05505	1.1
166.02731	1.1
168.00629	1.8
169.01411	36.0
170.01791	1.7
170.04591	1.4
173.04495	1.8
181.04961	1.2
191.05589	2.3
207.05127	1.8
225.04004	1.3
234.27631	1.0
243.05009	12.6
249.06105	9.3
255.07933	1.1
267.07199	75.6
268.07483	3.5
277.89407	1.0
285.06189	7.6
289.26733	0.9
348.38266	1.2
357.08246	3.0
377.14072	0.9
401.07462	3.0
419.08267	100.0
420.08249	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	417.3372
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
59.01366	0.6
75.06889	0.3
83.63145	0.2
139.69061	0.3
141.68068	0.2
175.87265	0.3
229.12000	0.3
417.33725	100.0
418.34061	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03439	1.4
58.00595	1.2
59.01382	67.9
61.98812	0.7
69.03473	1.0
69.32731	4.8
71.01382	32.7
72.99325	1.5
73.02948	24.4
75.00877	0.8
83.01386	6.7
85.02950	7.9
87.00879	4.4
89.02452	14.3
95.01401	2.1
96.06718	0.5
97.02964	0.6
99.00872	1.9
101.02441	25.0
113.02453	10.7
119.03511	5.6
121.03022	0.6
125.02415	1.8
131.03511	1.3
140.94016	0.6
143.03497	1.1
149.04465	0.9
161.04533	1.9
183.13930	2.0
195.13898	17.3
196.14247	1.2
213.14920	7.4
214.15222	0.8
285.20709	8.9
286.21011	0.9
357.19202	15.7
358.19669	1.3
375.20230	37.7
376.20593	4.0
417.21289	100.0
418.21643	11.7
438.41714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59327	0.6
57.03444	1.9
59.01110	1.0
59.01381	13.9
61.98830	5.5
70.87610	1.7
71.01379	3.3
71.05002	2.2
72.99285	2.1
73.02931	1.0
83.01411	0.8
85.02942	1.9
85.06529	0.6
87.00868	6.6
89.00341	1.3
89.02441	2.9
98.01215	0.7
98.02477	4.0
99.08163	1.6
101.02414	2.0
102.79214	0.7
103.00367	2.3
106.04232	1.7
112.98816	6.7
113.02437	0.9
117.03437	1.0
119.03508	1.0
119.18579	0.7
121.02945	1.3
125.09725	0.6
129.09221	2.3
130.08693	1.0
130.99963	0.6
131.01338	1.0
139.07701	0.8
149.00858	1.2
155.10774	9.9
161.04532	1.3
169.12332	1.9
175.00356	1.7
189.06618	1.6
209.15501	1.6
210.07713	1.4
213.09180	7.9
227.10399	2.0
240.04289	2.3
251.03653	0.9
255.06631	1.4
267.19598	4.6
282.72256	0.8
283.18945	1.2
285.20703	100.0
286.21030	8.5
295.02451	14.7
296.02859	1.2
399.24002	1.1
417.20667	1.6
417.25040	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93344	0.7
55.01875	0.9
57.03445	1.1
59.01382	100.0
60.01710	0.9
61.98846	4.0
69.25275	2.6
69.25696	4.7
71.01389	28.4
73.02951	8.2
75.00846	0.9
83.01389	3.6
85.02959	10.8
87.00868	1.5
89.02449	3.5
95.01398	1.6
98.20621	1.4
99.00884	3.8
101.02449	20.4
109.02944	1.6
113.02472	10.8
119.03570	1.2
125.02502	1.3
125.03571	1.1
125.19266	0.7
127.05173	2.0
128.03572	4.5
133.02939	3.2
134.03722	1.7
137.02377	0.9
143.03506	2.2
149.02467	1.5
159.02969	3.5
161.04562	36.6
163.00409	1.5
163.04073	0.8
164.67854	0.9
165.09198	4.4
175.91431	0.8
177.02000	0.9
181.57968	0.8
193.05032	0.8
215.73227	0.8
234.67493	0.8
269.04575	1.3
285.04105	2.8
285.16849	2.0
289.98657	0.8
297.04144	4.6
298.04953	2.7
299.05573	2.8
311.05527	1.2
315.66797	1.0
320.09128	1.7
327.05054	8.1
328.05551	1.4
339.05243	1.2
353.00720	0.8
357.06186	9.7
357.15469	16.8
358.16052	2.3
392.78717	0.8
399.06976	1.8
409.56207	0.8
417.08044	8.4
417.17249	4.3
418.08405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
56.00401	0.8
57.03436	2.3
58.00600	1.6
59.01382	100.0
60.01704	1.6
61.98834	3.4
66.57006	0.9
69.29597	3.6
69.30025	4.5
71.01385	33.9
72.99314	1.8
73.02950	5.2
75.00897	1.4
79.95720	1.3
81.04566	1.3
83.01402	2.4
85.02945	7.5
87.00887	1.7
89.02448	32.1
95.01405	2.9
97.03011	1.3
99.00873	2.5
101.02444	21.3
109.02943	1.4
113.02459	16.2
119.03513	14.6
123.04511	6.1
125.02473	1.5
125.03474	1.0
131.03503	1.5
143.03514	3.2
149.04636	1.0
159.03017	1.8
161.04558	26.7
162.04877	0.9
173.04523	0.9
177.09233	4.3
179.05661	7.8
195.10242	2.2
202.39911	0.9
202.78833	0.8
205.05144	2.0
232.41280	0.8
254.03766	1.1
254.63742	0.9
289.07233	1.5
295.71216	0.9
308.41940	0.8
329.10513	1.2
340.17792	1.0
355.08200	2.6
357.11215	1.9
357.15515	25.1
358.15875	3.3
417.13318	2.2
417.17712	3.7
417.87128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92055	3.5
59.01371	5.4
61.98837	11.9
69.26590	24.5
69.26994	8.1
70.13472	3.8
71.01382	5.9
85.02950	8.5
93.03461	22.7
99.00882	4.5
111.04535	4.2
113.02480	4.6
117.26218	3.6
121.98908	3.4
123.04534	7.9
127.79075	3.6
135.04512	69.3
137.02426	5.7
167.03476	7.0
173.04553	100.0
174.04922	4.8
179.03505	53.2
183.17476	3.9
188.69763	3.6
191.05641	45.1
223.25902	4.0
231.83141	4.0
347.36255	4.8
353.08728	59.6
354.09018	4.9
388.35214	3.7
417.10358	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	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
61.98820	12.1
63.60554	3.2
69.85124	13.3
69.85532	7.1
85.02949	7.1
93.03454	21.3
98.19997	4.4
107.04966	4.2
111.04517	4.6
129.53905	3.3
135.04541	60.9
155.03455	8.0
173.03119	6.8
173.04532	100.0
174.04836	3.8
179.03487	58.0
190.61995	3.5
191.05606	41.2
211.48735	3.4
259.69971	3.7
353.08835	59.3
354.09012	8.4
364.71298	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	415.3217
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
56.80628	0.2
59.01370	0.4
64.80212	0.1
70.45103	0.2
84.74715	0.2
178.16066	0.2
182.45894	0.2
183.53568	0.2
191.99785	0.2
269.47122	0.2
357.06570	0.2
415.32169	100.0
416.32492	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	415.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
69.28954	2.6
69.29380	1.6
72.99308	13.7
73.02950	7.2
75.00874	74.0
97.42847	0.6
108.41812	0.5
168.62440	0.5
180.74532	0.5
195.74847	0.4
208.76630	0.5
295.30121	1.0
323.33200	0.6
415.34271	100.0
416.34586	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3218
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
51.29863	0.4
53.22837	0.4
53.25361	0.4
59.01361	0.4
63.02562	0.4
69.17638	4.5
71.75789	0.4
85.90035	0.4
87.40997	0.4
108.66267	0.4
118.68954	0.4
126.36283	0.4
137.83319	0.4
249.94601	0.5
257.63684	0.4
317.24725	0.7
415.32166	100.0
416.32483	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	415.3217
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
70.44783	0.2
70.45132	0.5
71.05019	0.8
85.03207	0.2
224.51706	0.2
251.85983	0.2
339.26923	0.9
340.96384	0.2
355.29965	0.3
379.98785	0.2
390.67819	0.2
415.32162	100.0
416.32489	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	415.3216
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01374	0.4
63.30590	0.1
66.74339	0.2
70.74606	0.3
71.05051	0.2
101.02473	0.2
148.49667	0.2
339.26932	0.2
359.03296	0.2
415.32147	100.0
416.32480	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	415.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10849	0.3
59.01368	0.4
70.74564	0.6
70.74937	0.5
71.05015	0.8
95.31180	0.2
182.39037	0.3
252.72603	0.3
355.29935	0.5
415.32150	100.0
416.32477	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05521	0.9
54.21661	0.9
57.55926	0.8
59.01370	3.8
69.00455	0.9
70.57185	2.7
71.01385	1.0
76.01710	0.8
84.49380	0.8
89.02438	1.6
91.04024	1.8
95.92252	0.9
101.50533	1.0
250.06815	1.0
279.26941	89.4
280.27301	9.5
297.27954	1.5
323.25906	47.5
324.26373	5.2
341.26965	100.0
342.27325	13.0
343.13669	0.9
415.11703	4.0
415.30688	53.0
416.31052	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	415.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94385	1.2
57.03441	3.8
59.01105	1.9
59.01379	19.4
61.98833	1.8
71.01393	3.5
71.52280	1.5
72.99310	2.9
73.02943	2.0
77.13968	1.4
85.02971	4.0
87.00850	7.0
87.04525	11.6
89.02425	1.2
96.96037	1.7
109.02959	6.2
112.98794	4.5
123.04516	4.4
151.03970	1.5
170.74464	1.3
173.04433	1.3
179.28139	1.3
195.13898	35.5
196.14264	1.4
197.25452	1.2
207.13733	2.6
215.12738	1.5
247.16930	1.7
251.09251	1.4
265.18088	5.2
283.19128	100.0
284.19592	9.0
291.08691	4.7
291.33469	1.3
383.11407	1.5
415.14023	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
60.60772	0.5
69.26746	4.0
72.99303	0.5
74.99106	6.7
75.00902	0.6
77.00668	77.7
78.00605	0.5
93.83157	0.5
147.08156	1.8
149.09714	1.4
161.09740	1.1
163.11244	2.3
177.86540	0.5
187.11261	2.2
265.12357	0.5
279.13950	1.2
279.26926	1.5
280.14612	0.6
309.22275	2.0
322.19397	0.6
323.25827	0.8
337.21722	100.0
338.22076	14.4
341.27023	1.2
342.27081	0.5
415.23111	11.8
415.30978	2.7
416.23566	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	415.1611
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01874	6.8
57.03436	4.3
59.01382	61.6
61.98824	3.8
64.92401	1.7
69.50987	3.1
69.51397	10.0
71.01382	42.6
72.99309	3.6
73.02940	15.3
75.00891	2.2
83.01381	14.6
85.02945	21.1
86.00098	4.1
87.00871	5.5
89.02442	17.0
95.01381	3.8
99.00875	8.9
101.02446	47.1
109.02937	2.5
110.37562	1.9
111.00872	2.1
113.02435	16.2
115.00397	2.2
117.03513	3.5
119.03510	3.1
125.09731	3.2
131.03481	2.5
143.03514	1.8
149.04533	6.9
149.05858	1.6
159.02972	2.3
161.04565	8.5
163.07704	4.2
179.10641	2.0
180.39662	2.1
191.05733	2.0
194.09473	39.0
195.10184	4.8
209.11816	44.6
210.12157	2.5
223.09779	5.2
235.09714	2.8
249.07802	1.9
267.08829	3.5
283.11890	8.6
293.04507	2.9
294.04938	3.2
295.05118	12.3
305.34048	1.8
371.17133	55.0
372.17471	6.6
397.15054	39.8
398.15356	3.9
415.16089	100.0
416.16296	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	415.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03440	2.6
58.00594	3.3
59.01384	100.0
69.03442	4.3
71.01385	78.6
72.99297	6.7
73.02948	9.6
81.03472	2.6
83.01383	7.1
85.02952	14.2
86.08911	1.9
87.00880	16.1
89.02444	93.8
90.02816	1.9
94.78961	1.6
95.01382	6.0
97.02953	9.1
99.00869	4.9
101.02443	62.9
109.02848	2.2
113.02462	28.1
116.53134	1.7
119.03521	28.3
121.02937	2.3
125.02476	9.9
131.03485	4.9
143.03508	9.4
149.04568	3.7
161.04553	12.2
171.15376	1.8
179.05603	25.2
185.04523	3.1
221.06656	6.0
235.08238	13.7
253.09296	8.2
263.07651	2.8
305.08615	4.9
323.09698	2.7
389.88812	1.8
415.14575	86.1
416.15109	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	415.14
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
54.32720	0.6
55.77973	0.5
58.32402	0.5
58.84486	0.5
59.01376	8.7
61.17884	0.6
61.98814	1.4
62.17122	0.6
69.03485	0.8
70.81222	1.4
71.01385	1.7
72.99318	1.2
73.02928	0.9
74.02469	1.4
81.03460	1.1
83.01379	2.5
85.02946	0.6
87.00899	0.9
87.64259	0.6
89.02438	1.4
93.03469	2.2
95.05009	4.3
96.36669	0.7
96.96003	1.3
97.02967	2.7
101.02438	1.3
107.05047	1.4
108.02175	1.7
109.02947	44.1
109.06582	1.0
110.03297	1.4
111.04511	0.7
113.02387	1.1
117.03430	0.9
121.02943	2.7
122.03747	2.3
123.04523	44.3
123.08114	0.7
124.01645	0.8
124.04886	1.0
133.02951	0.7
133.06561	0.6
135.04526	3.5
137.02429	2.5
139.03999	1.8
145.02954	2.9
146.03665	1.3
147.08156	0.8
149.02403	3.3
149.06094	0.9
150.03197	2.2
151.04002	14.9
151.07555	0.7
159.04491	1.4
161.02423	1.2
161.04778	0.6
161.06059	2.1
162.03209	1.0
163.00356	1.6
163.04022	6.6
164.01181	3.2
165.01947	2.8
173.04517	1.4
175.04007	2.4
175.07602	1.1
176.01115	1.9
176.04808	0.7
177.01941	2.9
177.05528	0.9
179.03528	1.7
187.03958	1.3
187.07533	1.0
188.04785	1.3
189.01958	1.2
189.05542	1.7
190.02808	3.0
191.03391	1.6
191.05486	1.0
191.07118	12.8
192.04240	0.8
192.07426	1.1
193.05023	1.8
195.06607	2.4
201.05507	0.6
202.02718	2.7
203.03456	1.9
203.07132	8.8
204.00529	0.7
204.04202	2.3
204.07834	0.8
205.05132	4.7
205.08647	1.6
215.03374	0.9
215.06982	0.8
217.01367	2.4
217.05019	1.3
219.06583	3.4
221.08180	0.9
229.04805	0.7
230.02202	4.2
230.05717	1.2
231.02939	2.0
231.06606	10.5
232.03784	3.0
232.07007	0.8
233.04453	2.4
233.08150	3.1
234.05243	0.8
235.06166	1.2
244.03798	1.0
245.08205	1.7
246.05447	0.9
247.06047	1.1
247.09749	0.9
251.09229	12.9
258.05270	1.0
259.06113	7.0
262.04782	3.5
263.09229	8.9
264.09808	0.9
265.10809	1.5
273.07574	1.0
283.19153	4.6
290.08011	2.0
291.08740	41.2
292.09052	3.8
293.10269	2.5
305.10330	6.9
306.10770	0.9
307.11761	1.1
311.05597	0.8
339.12408	1.0
355.11935	1.4
371.15201	1.3
383.11368	7.7
384.11917	0.7
397.12958	1.0
415.13968	100.0
415.23361	6.7
416.14282	13.4
427.33289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1399
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
57.03484	1.1
59.01375	5.3
61.98836	1.5
65.18205	0.9
69.38007	6.9
70.42792	0.8
71.01392	1.3
76.90301	1.0
87.00880	1.1
93.03420	1.3
95.05028	4.0
96.96001	1.3
97.02951	2.5
98.20600	1.7
99.04508	1.2
101.02454	0.8
108.02155	1.5
109.02956	38.4
110.03274	1.5
113.02451	1.3
113.46017	0.7
115.71797	0.8
117.03468	1.1
121.02930	3.3
122.03738	2.5
123.04528	46.3
124.04860	1.5
125.02431	1.2
133.06532	1.3
135.04536	2.5
137.02493	2.2
145.02951	2.5
147.08168	1.3
149.02415	2.6
149.06038	1.7
150.03223	3.2
151.03996	13.5
161.02464	2.0
161.06059	1.4
162.03191	2.1
163.00385	1.4
163.04024	6.3
164.01158	2.0
165.01884	3.3
175.03989	1.7
176.01151	2.0
177.01947	2.0
177.05539	1.4
179.03586	1.0
187.07655	1.2
188.04842	1.3
190.02681	3.2
191.05540	1.6
191.07138	13.4
193.05074	1.6
195.06638	2.4
202.02667	2.6
203.03465	2.9
203.07115	8.3
204.00702	1.0
204.04199	2.0
205.05032	3.5
205.08615	1.5
216.04268	1.2
217.01390	2.6
219.06602	5.3
221.08348	1.2
230.02164	5.0
230.05856	2.6
231.02940	1.4
231.06641	9.6
232.03790	3.0
233.04514	1.1
233.08144	2.1
234.05191	1.2
235.06090	1.0
245.08176	1.0
251.09235	12.0
258.05301	1.3
259.06067	5.8
261.07620	1.1
262.04810	2.5
263.09232	8.0
264.09711	1.4
265.10913	1.3
267.07263	2.0
273.07663	0.8
290.07919	1.3
291.08734	41.9
292.09070	4.5
293.10214	2.7
305.10300	7.1
307.11819	1.4
355.12424	0.9
371.15280	1.2
383.11563	7.5
397.12933	1.2
415.13968	100.0
416.14233	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	415.1034
Annotation	Chrysin 6-C-glucopyranoside
Peak:m/z	Relative Intensity
57.03418	0.6
59.01376	6.8
61.98809	0.8
71.01379	5.0
71.32366	0.7
71.32709	0.7
72.99283	0.7
73.02960	0.5
77.03603	0.5
77.03971	6.2
79.01891	3.4
79.95719	0.7
83.01363	0.7
85.02953	1.2
89.02418	2.6
93.03437	1.1
95.05040	0.5
96.96016	3.9
97.34949	0.5
101.02419	2.6
101.04001	0.6
105.03466	2.3
107.01367	0.9
109.02916	1.3
110.31134	0.5
113.02404	1.5
119.03490	0.6
119.05000	4.0
121.02953	5.6
123.04462	0.6
125.02397	0.6
126.90465	0.8
128.03549	0.8
135.04515	0.6
143.05038	5.1
145.02969	5.6
149.02425	6.3
157.06534	1.3
161.02422	2.1
161.04503	0.8
162.03200	0.7
163.03989	0.9
165.01846	1.2
169.98651	0.5
177.01941	0.6
179.03479	1.3
187.03979	1.6
194.83607	0.5
195.08185	2.4
197.06042	0.9
199.07710	0.8
208.05179	0.6
223.07652	5.0
223.13399	0.7
225.05594	1.2
227.07118	0.8
227.98497	0.5
237.05559	0.7
239.07085	1.1
253.04982	1.9
261.26202	0.5
265.04944	0.9
267.06607	77.7
268.06964	6.8
277.05087	2.8
279.06567	0.7
283.06082	1.1
293.04514	1.4
295.06100	100.0
296.06381	8.6
298.04849	0.9
307.06085	3.4
311.05396	2.4
325.07150	3.0
341.06610	0.7
415.10370	61.9
415.15872	2.9
416.10760	6.4
416.15958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45767	3.2
59.01379	100.0
60.60252	3.7
87.00879	4.9
103.05277	3.6
108.31504	4.2
109.72950	3.3
112.98812	5.3
123.73093	4.1
142.77011	4.4
159.35216	3.5
175.02467	4.0
211.22768	3.4
239.94102	4.4
281.25024	6.2
298.95114	3.8
413.30792	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	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53173	1.6
59.01109	2.3
59.01381	33.1
62.16473	1.5
64.72023	1.8
68.01682	1.7
71.05013	4.4
71.42101	2.2
94.56705	1.5
102.71342	1.7
180.39156	1.8
333.80981	2.0
337.25360	4.3
353.28696	3.4
413.30603	100.0
414.30865	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	415.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31115	1.0
59.01380	4.4
61.98815	2.2
69.63908	6.2
71.01378	1.3
87.00889	1.2
96.95972	1.3
121.02965	100.0
122.03286	3.6
135.04523	1.8
181.06589	7.8
196.74846	1.0
225.05621	5.7
226.05908	1.0
313.07315	3.6
357.06149	73.4
358.06415	5.1
379.14044	1.3
415.06879	3.0
437.85260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.29163	0.8
57.03448	100.0
58.03778	1.2
59.01378	86.8
60.01706	1.4
61.98811	1.0
69.20317	9.6
69.32246	1.0
71.01382	16.7
73.02950	8.2
81.03471	2.0
83.01392	3.6
85.02953	8.2
89.02449	2.4
95.01414	1.0
98.20621	1.8
99.00883	3.4
99.04518	81.1
100.04875	2.1
101.02444	32.5
113.02452	6.7
117.03564	1.0
119.05019	10.2
125.02441	29.6
125.58818	0.8
135.04462	1.0
136.74522	0.9
138.09195	1.2
143.03514	1.7
159.02942	1.6
161.04544	8.9
179.97159	0.8
236.08311	1.7
269.10297	19.8
270.10886	1.4
293.04663	1.9
311.11273	2.4
413.09583	1.7
413.14453	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68661	1.0
59.01380	100.0
60.01719	1.4
70.82819	2.4
71.01385	4.9
73.02945	1.9
85.02971	1.9
87.00904	2.1
101.02444	3.3
107.46330	1.0
111.23436	1.0
113.02473	2.2
121.75217	1.0
155.10770	2.5
200.86816	1.0
237.15024	1.6
266.43008	1.2
281.17578	15.8
371.20703	3.4
414.78711	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	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71423	1.3
57.03453	90.3
58.03776	1.9
59.01384	100.0
68.93049	1.3
69.81712	2.9
69.82125	4.8
70.96519	1.2
71.01390	16.6
71.96155	1.3
73.02947	3.8
81.03459	2.4
83.01389	2.7
85.02971	7.7
89.02428	2.7
93.03464	9.2
95.01335	1.3
99.00884	1.9
99.04526	91.8
100.04858	2.7
101.02456	24.8
113.02454	5.0
113.08299	1.4
117.03465	5.7
119.05048	3.0
121.02933	2.3
125.02458	35.6
143.03552	3.1
161.02417	3.4
161.04541	4.0
163.00349	1.6
173.04564	23.7
180.04259	2.9
209.06158	1.4
215.80360	1.4
215.82536	1.3
228.43663	1.6
269.04581	14.0
269.07050	2.0
269.10309	11.5
281.04694	8.8
282.05246	6.1
283.06049	3.1
293.04709	3.1
293.08133	1.6
295.06146	2.4
309.03879	4.5
309.07410	2.0
311.05627	5.4
323.05710	2.7
325.07263	2.5
353.06799	4.9
355.07968	1.7
365.06534	2.8
377.06488	1.5
383.07733	4.7
395.07660	2.3
413.08749	21.3
414.08884	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27172	1.2
53.37094	1.1
55.01880	1.4
57.03444	3.2
59.01384	18.2
67.01910	1.7
68.99809	1.1
69.44723	8.3
71.01385	24.5
72.99303	4.7
73.07632	1.1
74.59543	0.9
75.00880	15.5
83.01384	1.7
85.02955	21.4
87.00885	8.9
89.02446	8.2
93.03465	1.7
95.01385	4.2
97.30402	1.0
99.00871	9.4
103.00346	2.3
112.45247	1.0
113.02461	30.6
115.00323	2.2
117.01888	1.4
117.03493	3.9
119.05042	42.6
120.05355	1.4
129.01883	1.4
145.02953	15.9
145.14772	1.2
149.06100	1.0
149.34412	1.1
163.04016	34.1
164.04387	2.7
164.08403	4.1
175.02538	2.8
179.67621	1.1
207.05124	1.7
231.05061	1.5
237.07654	4.0
249.06175	23.6
250.06523	1.2
267.07224	100.0
268.07590	4.9
295.11981	1.2
413.10895	41.3
414.11246	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43330	0.8
55.01892	0.7
56.62774	0.8
57.03433	3.2
59.01105	1.3
59.01377	16.8
62.59873	0.7
67.01886	1.3
68.99818	1.2
69.03445	1.0
70.86090	1.9
71.01380	20.2
72.99308	3.7
73.02949	1.5
75.00876	16.3
83.01413	1.1
83.45048	0.7
85.02948	20.0
87.00886	7.6
89.02440	7.4
95.01374	4.7
99.00874	8.4
103.00372	2.9
111.00893	1.0
113.02445	29.2
115.00339	2.9
116.50156	0.9
117.01943	2.6
117.03451	3.1
119.05029	35.4
119.93019	0.8
120.05347	2.0
122.21294	0.8
129.01903	2.0
131.03439	1.0
145.02956	16.9
145.72710	0.8
149.04549	1.3
157.01405	1.4
163.04007	33.9
164.04320	2.3
175.02328	1.7
207.04970	1.8
237.07521	3.8
249.06165	21.4
267.07202	100.0
268.07489	5.1
268.96149	0.8
352.81662	0.8
410.16177	0.9
413.10846	53.0
414.11127	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83367	0.5
54.42348	0.5
59.01379	100.0
60.01712	1.0
61.98841	0.7
69.40241	3.3
71.01380	15.1
73.02941	14.3
74.77657	0.5
78.04871	0.5
83.01369	2.6
85.02950	3.0
89.02451	5.3
95.01406	0.8
98.20721	1.1
100.04026	0.6
101.02443	14.5
102.02789	0.8
113.02457	7.8
113.03188	0.9
119.03547	1.5
121.71722	0.5
131.03532	1.8
135.64273	0.6
137.09717	4.9
143.03488	0.9
147.04573	1.5
149.04596	1.3
161.04605	2.0
179.05629	0.5
189.12939	0.9
201.13271	0.5
228.82233	0.7
427.56049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94549	3.7
59.01381	100.0
63.17825	3.7
87.16508	3.6
152.10768	4.0
326.18771	4.6
411.30551	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	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
59.01380	19.3
61.98827	3.8
69.03477	0.9
69.37949	4.3
71.01380	20.1
72.99307	5.0
73.02971	1.4
75.00874	11.4
75.61458	0.6
76.25407	0.6
80.96529	0.7
83.01454	0.6
85.02953	20.6
87.00874	7.9
89.02442	7.6
91.04022	0.8
93.03503	1.0
95.01390	4.8
98.19855	0.7
99.00879	7.4
101.02481	1.6
103.00407	1.9
109.02996	0.8
113.02453	28.6
114.02787	1.1
115.00395	1.7
117.01964	2.2
117.03443	4.2
119.05032	19.5
123.04492	0.7
125.02499	2.1
128.03632	0.6
129.01988	1.7
130.07855	0.6
130.08829	0.6
131.03539	0.7
135.04535	1.5
135.26901	0.7
145.02950	17.2
146.03336	0.8
149.06149	1.3
157.01474	0.6
161.02417	0.8
163.04018	17.9
173.04558	2.1
175.02495	2.0
179.03642	0.6
189.09154	0.6
191.05623	0.7
191.16367	0.6
193.03560	0.6
195.06747	0.6
203.28160	0.5
207.05101	1.8
208.07422	0.9
209.08267	1.1
233.04625	0.6
237.07640	3.4
249.06158	6.4
267.07205	100.0
268.07483	5.1
277.03348	0.8
316.74658	0.5
340.33853	0.6
353.18018	0.6
413.10776	21.2
414.10580	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	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15865	0.7
58.00605	0.8
59.01383	100.0
60.01726	0.8
61.98841	0.7
70.35072	2.3
71.01386	16.9
73.02955	14.7
74.17643	0.7
81.03481	3.0
83.01391	4.2
83.05043	4.3
85.02969	3.5
89.02445	7.9
95.01423	0.9
98.20612	0.9
99.00969	0.7
100.07698	1.0
101.02448	15.5
109.02955	0.7
113.02450	8.5
119.03546	2.1
125.02437	1.1
131.03557	1.8
137.09737	8.0
143.03471	1.3
147.55945	0.7
149.04579	1.0
161.04584	3.4
189.12935	0.8
199.18057	0.7
236.81371	0.8
243.17157	1.3
360.81354	0.6
392.30966	0.8
411.21509	1.5
411.27402	13.9
411.77597	4.9
412.28098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02918	5.7
57.03431	7.4
58.35186	5.9
59.01376	59.5
61.98827	14.1
69.75932	29.5
71.01369	13.5
73.02966	8.2
85.02920	7.8
86.43575	5.3
89.02443	9.8
96.92175	5.1
96.96007	14.1
101.02448	11.7
110.68161	5.0
120.16018	5.5
122.57770	5.4
164.86295	5.5
183.13928	11.0
195.13797	6.7
205.12250	7.0
207.14047	7.6
213.14967	100.0
214.15306	10.2
244.33908	6.1
249.11394	6.3
270.68350	5.6
393.31363	6.9
422.26782	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	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.78703	1.0
69.29132	8.3
71.01389	22.9
73.02953	25.7
81.03413	1.0
81.24960	0.9
83.01382	6.1
85.02950	4.5
87.00896	1.5
89.02451	7.0
95.01380	1.7
101.02447	22.6
109.02930	1.2
109.98145	0.9
113.02473	9.0
119.03497	3.3
131.03502	1.2
137.09731	5.8
142.04414	0.9
161.04591	2.8
211.92848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1269
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01384	4.7
69.09303	0.6
71.01390	2.7
72.00918	30.3
73.02973	0.8
74.02480	21.0
82.02940	0.7
85.02948	1.4
87.00887	1.2
89.02460	1.8
93.03490	2.0
98.19882	1.8
100.00417	23.4
100.04081	1.7
100.17577	0.7
101.02452	2.8
111.04520	1.1
113.02477	1.0
118.05119	100.0
119.05487	1.9
135.04497	1.7
142.77095	0.9
144.03038	16.6
149.06146	1.9
160.02617	4.7
161.04556	1.2
173.04581	9.2
191.05617	2.0
193.05060	1.7
212.00015	0.7
218.50552	0.7
232.06201	0.8
265.13013	1.2
279.14590	1.4
304.75562	0.7
411.13528	1.3
411.18799	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	411.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78107	1.3
57.03455	22.2
59.01385	73.0
69.03461	2.6
70.63416	3.6
71.01393	28.0
71.05037	1.5
72.99315	6.2
73.02955	2.7
75.00877	20.8
78.95904	2.5
83.01402	2.4
83.77663	1.5
85.02957	30.4
87.00872	13.1
89.02441	9.5
95.01394	6.4
96.96027	4.2
96.96970	3.7
99.00894	13.2
99.04526	24.9
101.02450	7.7
103.00391	3.8
108.81904	1.9
111.51208	1.4
113.02462	46.2
115.00374	4.1
117.01958	4.5
129.01945	3.8
143.03506	19.0
157.01494	1.9
161.04570	28.7
175.02512	3.9
193.09622	1.5
206.08182	2.0
244.71796	1.6
248.76884	2.0
249.06128	17.0
267.07220	100.0
268.07550	5.5
305.05212	1.5
309.08298	50.0
310.08875	4.5
349.11478	9.0
387.86749	1.7
411.11487	95.4
412.11850	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	411.0237
Annotation	Turgorin
Peak:m/z	Relative Intensity
57.03464	0.5
59.01380	3.5
61.98837	0.7
71.01387	3.7
71.50999	0.6
72.00893	0.4
72.97527	0.4
72.99285	0.5
73.02940	1.2
75.00860	1.2
78.95918	0.7
79.95747	2.7
80.96517	3.4
85.02945	1.5
87.00873	2.0
89.02455	1.4
92.18498	0.4
93.03417	0.6
95.01434	0.5
95.95238	0.6
96.96011	100.0
97.02933	0.5
97.95973	0.6
99.00897	1.0
101.02432	1.5
102.89200	0.5
113.02456	1.8
122.97565	0.8
125.02448	12.0
135.04515	0.7
138.97070	9.5
143.03502	0.8
148.97966	0.4
149.06061	0.6
150.03183	0.5
150.97069	1.7
161.06032	0.6
164.98596	1.0
165.05545	1.2
168.00684	0.7
168.98141	1.4
169.01421	22.9
170.01794	0.7
173.04610	0.6
180.98132	0.5
191.05629	0.5
205.04904	0.5
219.03000	0.5
222.99228	2.0
241.00227	66.0
242.00577	2.6
267.07245	1.7
331.06784	3.0
367.03296	0.5
411.02362	48.5
411.11176	1.4
412.02667	4.3
412.11960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
61.98835	0.4
62.96405	0.4
70.93462	0.6
72.86662	0.3
78.95906	71.1
85.91758	0.2
88.40127	0.2
93.66715	0.2
95.27677	0.3
96.96962	5.5
96.97582	0.3
131.54230	0.3
149.06082	1.6
150.98016	1.7
152.99586	100.0
153.99913	1.8
155.44603	0.2
163.11282	6.9
171.00629	2.6
190.09982	0.7
219.08446	0.2
233.15448	4.2
234.15781	0.3
245.15561	0.7
255.23238	2.4
256.23578	0.3
325.18524	0.8
409.23508	12.1
409.27750	4.6
410.23889	1.1
410.28061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03441	1.8
59.01381	88.1
60.01727	1.2
71.01385	17.9
71.51485	1.3
72.99306	1.6
73.02937	8.1
75.00869	2.1
83.01387	4.3
85.02954	10.2
87.00874	3.0
88.08759	0.8
89.02442	5.9
93.03487	1.2
95.01391	1.4
97.02943	1.0
97.06611	1.2
99.00874	3.1
101.02445	17.6
111.00884	1.6
113.02451	8.7
117.87101	0.8
119.03500	1.5
125.02470	2.0
146.64140	0.9
154.10941	0.8
159.02925	1.0
159.10251	1.0
161.04565	3.7
168.22147	0.8
173.04517	1.1
187.13408	2.6
256.03445	1.1
267.07178	1.9
328.96524	0.9
349.18719	12.8
350.18918	1.0
391.19809	4.7
409.09006	5.0
409.20807	100.0
410.21078	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	409.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	4.3
59.01380	60.5
59.40466	2.7
64.00220	2.5
68.30547	2.3
70.50110	2.4
71.50482	4.9
72.99298	4.7
78.95885	3.5
84.99301	4.2
87.00879	44.1
98.42735	2.8
103.00371	31.3
112.98813	71.1
117.54789	2.8
130.99852	6.2
152.99568	4.0
172.20287	3.1
204.79881	2.6
218.42296	2.9
272.04712	3.0
277.21722	100.0
278.22064	12.3
328.99918	3.2
409.22314	3.1
409.34622	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	407.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01690	1.3
61.98831	2.6
71.01357	1.3
71.51198	2.0
79.62041	1.1
80.96519	15.5
91.92558	1.2
96.96004	5.0
206.99220	1.4
213.57973	1.2
347.24380	2.1
407.17371	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	408.0428
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
59.01370	3.7
60.97523	0.5
70.15596	1.6
70.24059	0.5
71.01389	2.6
71.70112	0.6
74.99097	52.0
75.99437	0.5
79.95738	14.0
80.33566	0.5
80.96535	2.7
85.02959	2.1
89.02448	1.4
89.57786	0.5
95.95232	51.8
96.96010	100.0
97.95941	0.6
101.02442	1.4
138.97043	0.9
157.38290	0.5
166.03287	3.0
195.03285	1.8
212.00125	0.8
213.34833	0.5
228.00581	0.5
239.49680	0.5
256.03287	0.6
259.01184	2.9
274.99045	1.4
299.70923	0.5
323.62515	0.5
408.04199	45.1
409.04584	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	407.1923
Annotation	Daumone 4
Peak:m/z	Relative Intensity
57.03434	2.2
58.00583	2.7
59.01381	66.0
59.10864	0.8
61.98827	3.7
63.72599	0.7
69.91043	4.1
71.01382	30.9
71.50272	0.8
72.99300	3.3
73.02942	1.7
83.01379	2.8
85.02955	7.6
87.00856	2.0
89.02446	27.5
95.01398	2.7
98.20631	1.6
99.00858	1.1
100.45386	0.9
101.02445	19.4
111.08136	1.2
113.02444	11.6
119.03510	11.2
125.02407	0.9
131.03470	1.5
134.20558	0.8
143.03462	1.2
144.42717	0.7
147.21797	0.8
147.66165	0.9
156.98645	0.7
157.64110	0.9
161.04601	2.3
165.05502	1.1
165.12834	9.6
166.13110	0.9
179.05579	1.4
183.13911	17.2
184.14215	1.0
185.11797	1.8
195.06552	0.9
203.58514	1.0
209.11829	8.7
222.90073	0.9
227.12891	45.0
228.13171	1.8
243.06595	1.5
244.06937	1.1
245.07364	1.4
245.13921	5.8
275.15137	2.0
275.18640	3.1
294.35721	0.9
406.66129	0.9
407.19193	100.0
408.19595	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	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02414	1.0
59.01380	100.0
60.01713	1.0
60.49348	0.9
61.98827	2.2
64.69645	1.0
69.67174	3.2
69.67608	2.8
85.41450	1.0
94.57830	0.9
96.96013	3.3
101.99999	1.1
168.27251	0.9
319.21375	1.2
357.62161	1.2
407.27997	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00873	1.7
57.03441	3.4
59.01379	59.1
60.01697	1.9
61.98818	7.2
64.59538	1.4
65.53333	1.6
65.99851	2.0
68.65334	1.8
71.01387	28.0
71.05017	1.7
71.51958	2.3
72.99305	3.3
73.02950	10.3
75.00865	3.2
81.03460	1.6
82.02994	9.2
83.01399	4.1
83.05006	2.7
85.02962	8.9
87.00867	7.3
89.02451	13.9
93.03439	3.5
95.01385	3.0
99.00870	4.4
99.04490	2.4
101.02447	17.0
102.20582	1.5
107.92192	1.5
111.36390	1.8
112.98804	1.9
113.02434	9.3
119.03490	4.2
125.02409	2.8
134.64293	1.7
135.04558	2.9
137.02434	2.9
138.05624	1.7
145.06230	2.0
149.02440	2.3
157.08693	8.2
160.07701	1.9
161.04581	5.2
164.03511	4.5
165.01938	1.8
167.03448	2.3
171.10222	2.5
171.24927	1.6
173.04552	4.4
174.05630	2.0
175.02582	2.6
176.03511	2.4
179.05568	1.9
186.05627	1.9
188.07104	3.9
201.03008	1.8
201.14825	1.9
202.08765	3.3
211.04086	1.9
215.04596	2.4
216.05122	4.1
216.06857	3.7
216.10277	2.2
217.02538	5.1
217.06128	6.7
227.03392	3.3
228.06621	2.2
229.06036	9.6
231.07706	13.0
242.03300	4.0
243.04047	14.8
243.07576	2.0
244.04926	11.1
244.09937	12.1
244.16167	2.1
245.00890	2.2
245.09314	4.0
245.17632	14.2
248.09270	3.6
249.06003	4.0
255.02969	10.3
256.03485	4.9
257.05859	14.8
257.09299	2.6
257.17477	4.9
258.06366	6.9
259.07196	38.7
259.10892	5.9
260.07394	2.8
267.07233	2.4
269.09268	3.5
271.07248	18.0
273.16992	2.9
275.18613	100.0
276.18912	5.5
285.08881	5.1
287.05560	3.0
287.10382	61.3
288.08478	5.0
288.11017	3.9
291.09854	7.4
313.08295	91.0
314.08478	7.6
317.07687	1.8
331.09363	47.6
332.09692	6.9
335.08887	2.6
345.10748	8.5
347.17001	7.7
357.07147	3.0
361.10281	2.2
365.18277	1.9
375.08362	13.5
389.10071	4.0
407.11469	46.6
407.15384	6.8
407.19135	2.9
407.22318	4.2
407.26572	10.1
408.11319	3.2
417.20459	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	405.3374
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
59.01386	0.3
61.98841	1.4
70.42197	0.4
70.42582	0.5
96.96004	0.6
405.33746	100.0
406.34079	18.3
423.34790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3372
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
59.01368	0.6
61.98823	0.9
83.88780	0.3
103.11340	0.3
116.28657	0.3
122.77846	0.3
126.69818	0.3
166.46315	0.3
182.09120	0.3
215.72029	0.2
224.26802	0.3
229.20889	0.3
236.72301	0.3
405.33716	100.0
406.34064	14.7
406.39444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23983	1.4
58.02976	15.1
59.01375	3.8
66.03487	2.1
70.64204	4.4
72.00916	2.0
74.02478	26.5
81.04574	2.2
82.02988	4.2
86.02469	10.6
87.05645	5.5
96.04536	1.9
97.04082	2.2
99.05640	23.5
100.04082	1.3
101.07201	3.7
102.05599	5.9
107.06188	1.8
108.04676	1.6
109.04060	5.5
111.05653	2.3
112.04035	2.6
123.05693	3.2
125.03535	5.0
127.05127	5.4
127.05997	1.6
128.03542	70.8
129.03893	2.8
130.03889	1.8
133.06967	12.8
134.66095	1.4
135.05696	8.1
141.06694	4.9
143.04623	100.0
144.04977	3.7
145.06174	4.8
146.04610	10.8
149.07239	1.6
153.06673	5.2
162.00304	2.8
164.91397	1.5
166.09837	3.5
167.04581	4.2
167.08286	6.0
170.03365	1.6
171.04013	2.8
179.04616	23.3
181.06198	1.5
185.05595	3.9
192.07713	3.2
197.05670	5.1
207.91652	1.5
210.08830	19.7
228.10074	1.6
254.07828	48.3
255.08116	4.7
272.08862	47.9
273.09164	3.4
277.12210	5.6
308.07306	9.1
388.15485	6.6
406.16531	45.7
407.16711	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	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72429	27.5
59.01373	100.0
61.98824	37.4
69.59206	23.4
71.01385	63.1
100.75340	27.8
101.02478	30.1
109.02820	27.5
111.58276	25.1
206.92604	28.4
215.03029	26.5
219.31598	24.3
221.06966	23.6
296.56448	27.8
311.63882	27.1
361.19196	29.0
405.16623	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	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
58.92768	0.4
59.01378	17.0
61.98832	4.2
71.01378	8.1
71.05016	4.1
71.52666	0.5
72.99332	1.5
73.02964	0.9
75.00825	0.4
83.05074	0.4
84.99337	0.5
85.02973	1.7
85.06597	0.7
87.00887	5.3
89.02441	6.2
99.04540	0.7
101.02439	4.0
103.00385	2.4
112.98817	5.8
113.02445	3.0
119.03505	2.1
125.02415	0.5
125.09782	0.5
130.99864	1.1
141.12863	1.1
149.00935	1.3
151.00809	0.5
153.12807	1.0
169.15993	1.7
179.05605	1.0
186.12381	0.5
197.15492	0.8
199.13431	0.9
225.14999	1.0
255.19775	2.1
271.19171	0.9
273.20703	100.0
274.21054	10.0
293.86868	0.5
298.66876	0.5
376.18839	0.9
405.16507	0.7
405.21207	18.6
406.21500	3.0
418.87164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51707	1.0
54.86834	0.9
59.01381	27.3
61.98837	3.4
69.91941	3.5
69.92352	2.0
71.01383	15.0
72.99313	2.9
75.00871	1.4
76.79611	1.0
77.77457	1.0
83.01404	1.4
84.04537	1.5
85.02946	3.8
85.50690	0.9
87.00883	2.2
89.02441	16.1
93.03438	1.7
94.06621	10.3
96.04575	1.8
96.08194	1.4
96.96024	1.1
99.00845	1.5
99.04570	1.1
101.02450	7.9
108.04566	3.8
110.02526	0.9
111.08248	0.9
112.04063	2.0
113.02448	6.3
116.08149	1.0
119.03476	5.8
120.04565	1.2
121.05337	27.2
122.06129	100.0
123.06445	4.4
124.04011	2.8
124.07670	5.8
135.04514	1.1
136.04030	3.6
138.05627	1.7
138.98578	6.2
139.99423	1.5
141.40636	1.0
150.05592	1.5
153.04303	16.2
154.00943	5.7
154.04752	1.3
155.01706	2.1
155.65315	1.0
161.04541	1.6
166.05104	3.7
173.04575	2.4
174.09245	2.2
184.11041	1.1
191.05559	4.9
202.12334	2.9
217.09804	2.3
227.07039	1.5
228.10066	1.3
229.09688	3.1
243.11279	2.0
243.15976	1.8
245.12935	61.0
246.13226	3.1
255.07751	1.7
267.07205	1.1
271.10849	6.4
282.25854	1.0
289.11945	64.3
290.12338	7.3
299.10159	1.2
317.06985	6.4
333.10901	20.6
334.11240	2.4
405.09216	2.1
405.13489	2.0
405.17780	2.1
405.21741	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	403.3216
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
51.17017	0.5
57.57730	0.4
61.98533	0.7
61.98833	10.0
62.95747	0.5
69.24529	2.0
69.24957	2.4
98.20674	0.8
171.03838	0.5
191.86815	0.5
403.32129	100.0
404.27081	0.9
404.32455	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	405.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
57.16554	2.0
57.30698	1.7
57.50281	1.6
58.68780	1.6
59.01374	27.2
61.98828	23.9
69.03443	1.8
71.01386	15.6
71.05034	1.6
72.00932	3.6
72.99321	4.2
78.91885	5.1
81.03455	2.9
83.01392	5.9
85.02957	5.4
87.00888	2.0
89.02441	20.5
93.03410	2.9
95.01372	3.6
95.05001	2.8
96.96064	1.8
97.02948	7.3
98.02415	1.9
99.00877	2.6
101.02451	11.1
105.03468	2.7
107.04989	2.5
108.02174	2.5
109.02948	50.1
111.04520	4.3
113.02451	7.7
119.03498	6.9
119.05042	3.0
121.02946	4.7
122.03725	2.5
122.06127	6.8
123.04518	24.9
124.04865	2.7
125.02469	4.8
132.04555	2.3
133.02986	3.4
135.04541	5.6
137.02444	37.4
138.02820	3.0
139.04008	20.5
147.04485	5.5
149.02440	42.3
151.04021	29.1
159.04515	3.9
161.02432	16.4
161.04517	2.7
161.06068	2.7
162.03040	1.6
163.00349	3.7
163.03986	6.5
164.01050	2.1
165.01933	7.4
166.05130	2.1
173.06009	2.4
174.09396	1.7
175.04005	2.5
176.01117	4.7
177.01900	12.4
178.02682	7.2
179.03461	6.9
183.02971	4.0
191.03542	15.3
191.05284	2.8
192.04135	2.6
193.01299	2.3
197.06129	5.2
203.03545	2.8
203.07014	3.9
213.05563	12.5
215.05269	1.5
215.07109	42.5
216.07458	2.7
241.05000	2.4
245.08174	5.4
245.12987	4.5
255.06593	3.2
257.08112	6.8
267.07220	2.8
283.06070	3.2
289.07190	26.8
289.12012	5.4
290.07611	2.4
301.07162	37.1
302.07516	3.7
327.05075	27.8
328.05554	2.3
344.07761	3.8
345.06122	100.0
346.06430	12.9
357.19571	2.0
362.08762	8.8
405.09836	6.2
405.14511	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	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01374	6.1
61.98830	46.0
65.40391	0.7
69.03442	1.6
70.07816	1.4
70.08168	3.1
71.01385	3.5
73.02946	2.8
74.17071	0.8
75.00867	1.5
85.02949	3.0
87.00873	2.7
97.02985	1.4
99.00883	2.3
101.02448	3.0
107.04977	0.7
111.08154	3.8
113.02447	1.9
124.07653	0.8
125.02415	1.4
131.89409	0.8
153.09236	2.2
161.04590	4.3
165.12839	46.4
166.13200	4.7
181.12383	1.2
183.13895	100.0
184.14204	5.6
190.92131	0.8
193.07167	6.1
193.62903	0.8
206.11888	1.4
209.11771	7.2
225.05554	15.2
226.06284	2.5
227.12881	50.8
228.13249	2.7
232.59850	0.8
241.08701	37.2
242.09052	2.9
249.06165	1.8
267.07269	1.6
385.40753	0.8
403.19772	36.1
404.19989	3.9
409.02759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
58.00584	0.3
59.01379	5.4
61.98831	4.4
71.01379	0.9
71.53027	0.4
72.99299	0.7
73.02940	0.3
75.00873	0.6
78.95921	0.4
84.99316	0.4
85.02945	0.6
87.00880	5.5
87.04514	5.2
96.95998	0.3
97.02971	0.2
97.06574	0.3
99.00941	0.3
101.02401	0.6
103.00365	1.8
109.02932	0.3
111.00904	0.3
112.58264	0.3
112.98813	4.5
113.99084	0.3
123.04512	0.4
128.03558	0.3
130.99852	0.5
136.04881	0.3
139.00404	0.3
149.00893	0.7
165.05638	0.4
165.12650	0.4
167.07130	0.3
167.14432	0.6
183.13896	5.9
184.14223	0.5
193.05042	0.7
195.13904	1.2
211.17055	0.6
235.17023	0.6
253.18013	2.3
255.16113	0.5
269.17648	0.8
271.19131	100.0
272.19455	8.6
306.07803	0.4
315.08728	0.3
343.11731	0.3
388.11453	0.3
403.13986	2.3
403.19705	3.8
404.14505	0.3
404.19843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.7
59.01385	12.8
61.98836	3.5
64.59396	0.8
68.22626	0.8
68.99828	1.1
69.03446	1.5
69.50386	6.0
71.01392	19.0
72.99324	4.1
73.02940	1.0
75.00880	10.8
76.04697	0.7
78.95901	2.5
83.01379	1.6
85.02953	18.9
87.00867	7.7
89.02460	5.7
91.01876	1.4
91.62718	0.8
93.58511	0.9
95.01382	3.7
96.96048	1.0
98.19942	1.5
98.83058	0.9
99.00889	8.3
101.02476	1.3
101.86084	0.8
103.00388	2.9
109.02956	41.9
110.03300	1.1
111.00870	1.3
113.02458	27.6
114.02769	0.9
115.00362	2.2
117.01980	1.1
123.04499	0.9
126.60193	0.9
127.03972	0.9
129.01917	2.8
139.00328	1.1
149.04561	1.2
152.01125	1.1
153.01949	64.8
154.02292	3.0
158.92523	1.2
175.02480	1.9
191.81833	0.9
207.05067	2.2
209.04596	1.2
227.05611	10.0
247.27237	1.0
249.06171	11.2
254.23740	1.1
267.07220	56.7
268.07504	4.0
269.06650	3.1
270.07178	0.9
341.08691	5.4
368.26404	0.8
385.07721	3.9
403.08813	100.0
404.09085	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97181	0.9
57.03445	1.5
59.01376	21.0
59.43663	1.0
61.98829	16.5
71.01364	5.1
72.99308	1.5
73.02938	2.9
73.24247	1.1
75.42270	1.1
76.29226	1.0
76.29679	1.2
80.05048	1.3
83.01343	1.7
85.02954	2.7
87.00893	1.5
89.02425	3.1
96.96037	1.3
99.04482	1.3
101.02417	4.2
104.14552	1.0
108.04522	1.9
109.02931	3.4
111.00843	2.0
113.02462	2.4
119.05022	1.6
122.06123	6.2
128.03525	1.5
130.02945	1.4
132.04552	12.7
134.06107	2.6
135.04541	1.6
139.00352	1.2
143.04721	1.8
146.02510	1.2
146.04037	1.2
147.03238	2.9
148.04015	2.7
150.05574	2.8
151.00250	1.4
158.02477	6.1
160.03992	7.5
161.04565	2.3
162.05542	2.4
165.05482	1.6
167.06999	1.3
173.04591	1.9
174.05530	2.2
175.02658	4.3
176.03537	12.6
176.07103	2.0
184.07692	2.4
190.05096	18.3
191.05554	3.7
192.06569	1.7
197.11824	7.6
200.10649	1.1
203.02158	2.0
204.03062	5.8
206.04564	1.5
209.07224	1.6
211.12364	4.9
212.05891	2.3
212.10710	3.6
215.11798	2.3
220.02422	2.0
223.08705	3.1
224.07335	1.9
224.09447	8.8
225.08142	1.5
226.07388	1.7
227.08345	5.8
230.01286	1.2
234.03952	3.7
237.10306	1.9
239.08127	3.2
239.11823	18.5
240.10126	5.0
241.05061	6.2
241.07387	1.7
241.10533	11.4
243.07564	1.2
243.11353	4.0
250.07574	1.3
253.06190	18.8
253.09036	2.1
253.09676	1.8
254.06595	1.5
255.07703	4.2
255.11298	5.9
265.09726	2.8
266.06766	2.4
267.07669	5.2
268.08508	8.4
269.09125	4.5
271.07217	2.7
281.09372	6.4
283.10852	40.2
284.11047	4.8
294.06384	3.0
295.06879	1.3
297.04971	3.1
297.11740	1.4
306.07773	2.0
309.08786	19.1
310.09052	2.7
313.02930	1.4
313.06375	2.0
315.13486	2.7
327.09851	51.3
328.10065	4.0
339.95688	1.1
341.11273	6.7
342.11298	1.4
353.07608	3.3
353.12006	1.1
359.12375	9.9
371.08780	33.7
372.09070	3.9
385.10013	2.5
403.11328	100.0
403.19690	4.5
403.23151	2.4
404.11676	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	402.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59571	0.9
57.03436	4.3
59.01377	22.9
61.98817	1.4
62.14528	1.0
63.55833	0.9
67.01897	1.2
68.99809	3.7
69.03450	2.1
71.01377	20.0
71.50970	1.1
72.99303	7.4
73.02940	3.4
75.00471	1.7
75.00872	23.2
78.95901	5.9
81.03446	2.2
83.01392	1.4
85.02953	23.1
87.00878	12.4
89.02427	4.3
95.01373	7.0
99.00884	12.6
103.00368	2.2
107.03788	1.7
108.04558	76.0
109.02951	3.2
109.04871	3.0
111.00922	1.6
111.02007	1.6
113.02451	25.9
115.00367	1.7
117.01941	2.8
124.04749	1.2
129.01930	2.1
135.03006	2.6
152.03528	79.8
153.01900	1.2
153.03873	3.1
158.92505	3.3
163.03979	2.1
166.02669	1.3
173.04588	2.1
175.02484	2.9
179.07103	3.1
180.07466	1.2
181.05046	1.5
189.03949	1.3
200.44579	1.1
218.83292	1.0
231.05093	6.0
249.06145	100.0
250.06471	4.7
266.07510	2.0
267.07318	2.0
278.07697	1.4
295.08212	1.3
296.08566	4.3
305.83234	1.0
342.08334	1.9
384.09201	1.4
402.10431	74.7
402.99579	1.4
403.11093	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	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95017	3.6
69.41454	4.9
69.41854	22.4
69.85208	2.7
205.69452	2.9
233.71535	3.0
318.14755	3.7
326.03268	3.1
343.11737	3.5
402.08719	4.2
403.32150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3061
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
50.42015	0.6
59.01365	0.9
64.49319	0.5
68.50182	0.6
68.70165	0.6
70.10078	0.6
70.63566	1.3
73.37955	0.6
117.87112	0.6
121.02964	7.8
145.02904	2.2
172.60475	0.6
234.64676	0.6
313.07178	2.4
357.05994	0.6
387.37149	0.8
401.08777	1.7
401.30594	100.0
402.30942	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	401.3272
Annotation	Di-tert-dodecyl disulfide
Peak:m/z	Relative Intensity
61.92738	1.1
61.98825	2.1
69.31747	4.0
69.32171	5.5
72.99306	15.8
73.02946	9.1
73.59512	1.1
75.00874	96.1
91.94150	1.2
112.62055	1.2
121.02954	2.5
183.15993	1.4
195.95508	1.2
401.32703	100.0
402.33057	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	401.3061
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
59.01374	0.3
61.42767	0.2
67.18501	0.2
69.62929	0.2
69.79488	1.2
71.01381	0.2
71.05022	1.6
79.96111	0.2
98.20686	0.2
111.71514	0.2
120.18521	0.2
121.02966	2.1
147.20583	0.2
152.94498	0.2
168.14423	0.2
180.00247	0.2
216.27435	0.2
313.07025	0.4
325.25281	1.3
341.28342	0.7
385.27353	0.3
401.30585	100.0
402.30936	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	401.3059
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
50.11102	0.3
59.01346	0.4
71.05013	1.3
71.50581	0.5
72.99290	0.4
78.86762	0.3
79.43175	0.3
109.20261	0.3
110.12060	0.3
121.02956	3.8
157.69867	0.3
158.21135	0.3
313.07111	0.4
325.25507	0.7
329.64722	0.4
341.28372	0.8
401.30594	100.0
402.30951	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	401.1816
Annotation	Spionoside B
Peak:m/z	Relative Intensity
54.47921	0.7
59.01382	8.0
61.98833	1.7
67.92672	0.8
69.68236	0.7
71.01375	3.9
82.68272	0.7
83.05059	0.8
85.02969	2.4
89.02464	2.6
101.02425	1.6
113.02460	4.2
119.03535	1.0
120.19960	0.6
141.59323	0.7
153.12880	1.0
171.10239	1.7
177.12804	7.0
195.13904	100.0
196.14224	7.9
197.11778	1.5
203.10818	2.3
219.13889	1.4
221.11810	2.8
239.07574	1.9
239.12880	98.4
240.13266	6.8
263.12784	4.5
281.13907	3.0
327.21790	3.4
401.17908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
54.68525	0.4
55.01875	2.5
57.03441	2.9
58.00576	1.0
59.01382	26.9
71.01381	19.5
71.06519	1.0
72.99297	0.8
73.02951	5.6
75.00851	0.5
83.01392	3.6
85.02455	0.7
85.02946	10.1
87.00875	1.4
89.01933	0.7
89.02449	9.1
95.01384	1.7
99.00879	1.6
101.02439	15.8
109.02930	1.3
111.00896	0.5
113.01714	0.6
113.02454	7.7
119.03490	3.3
123.08158	2.9
124.68465	0.4
125.02443	0.4
135.04521	1.8
135.32071	0.4
143.03450	0.6
151.04007	0.6
161.04555	1.6
161.09680	0.8
173.04500	1.5
177.12856	5.0
179.07114	0.9
191.05594	3.7
195.13878	2.5
202.99933	0.8
221.11810	4.4
401.18140	100.0
402.18469	11.0
418.64630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30421	0.4
55.01876	2.5
57.03455	3.6
58.00594	1.5
59.01385	27.9
60.01727	0.5
71.01387	21.7
72.99310	1.6
73.02949	5.3
83.01389	4.9
85.02959	9.4
86.00099	0.7
87.00893	1.1
87.36269	0.4
89.02451	10.8
93.03462	0.7
95.01389	2.2
99.00882	2.3
101.02448	16.8
109.02962	1.6
111.00911	0.5
113.02463	8.2
119.03512	3.9
123.04527	0.9
123.08186	3.1
125.02494	0.5
135.04512	1.3
137.02454	0.6
143.03499	0.4
151.04015	0.8
158.70921	0.4
159.03050	0.7
161.04559	1.5
161.09694	0.6
173.04564	1.7
177.12860	5.1
179.03568	0.6
181.01511	0.4
191.05629	1.6
193.61479	0.4
195.13916	1.8
215.63873	0.4
221.11859	4.3
229.26714	0.5
289.07141	1.7
301.07306	0.6
310.04013	0.4
355.58698	0.4
401.18176	100.0
401.99759	0.4
402.18527	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	401.145
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01876	8.6
57.03439	4.8
58.00589	1.8
58.56583	1.5
59.01382	49.3
61.98817	1.5
63.41179	1.5
69.03452	3.5
69.27213	12.4
71.01384	100.0
72.99305	3.1
73.02946	37.9
75.00877	2.3
81.03459	1.9
83.01382	16.1
85.02953	51.0
87.00876	6.3
89.02442	24.6
93.03448	1.4
93.69413	1.2
95.01390	9.1
97.02956	4.9
98.20624	2.4
99.00877	17.9
99.04507	1.7
101.02448	74.9
107.05062	3.0
109.02940	4.0
111.00875	3.3
113.01717	2.7
113.02457	35.3
114.02843	2.0
115.04021	3.1
123.04551	1.7
125.02475	10.0
129.01898	1.4
131.03487	6.6
135.04506	1.3
143.03500	5.3
149.00996	1.6
149.02490	1.9
149.04570	3.1
152.79184	1.5
159.02983	9.2
161.04556	52.4
162.04872	1.5
173.04567	1.9
177.01912	1.6
191.05701	4.1
195.10313	3.3
225.69814	1.4
233.06587	7.4
235.35071	1.2
269.10300	94.7
270.10672	7.1
289.07169	3.0
293.08932	3.8
356.49704	1.3
401.14560	89.4
402.14978	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	401.1239
Annotation	Paraibanol
Peak:m/z	Relative Intensity
50.65788	0.5
55.86373	0.6
57.03440	2.9
59.01351	2.5
59.01617	0.5
59.52637	0.6
61.98812	1.0
69.03448	0.9
69.19249	5.0
71.01352	1.9
72.99284	0.9
81.03459	4.3
83.01395	5.8
85.02919	1.7
89.02444	0.9
90.55993	0.6
93.03425	2.6
94.03783	0.7
95.01383	1.0
95.05022	4.9
97.02951	8.5
98.20658	1.3
101.02424	0.9
103.10847	0.6
107.05037	1.1
108.02158	1.4
109.02952	30.1
109.06563	2.7
110.03326	0.8
111.04508	1.6
113.02454	0.8
119.36937	0.6
121.02943	5.5
122.03720	1.9
122.14005	0.6
123.00854	1.0
123.04523	19.8
123.74977	0.7
124.04811	1.2
125.02450	22.0
127.07631	2.2
133.02899	1.1
135.04550	3.8
137.02443	14.2
139.04004	6.7
141.01897	0.8
145.02928	1.9
146.03711	2.4
147.04439	1.5
149.02423	7.1
149.06029	0.8
151.04019	11.4
151.07585	1.0
151.11263	0.6
153.01859	0.7
153.05563	1.1
154.02737	0.6
157.06541	1.0
159.04512	4.7
160.05266	2.2
161.02481	5.4
161.06090	7.0
162.03180	2.6
163.00356	3.0
163.03961	2.2
164.01147	5.5
165.01945	5.3
165.05589	0.7
166.02501	0.6
167.03456	2.2
173.04515	1.2
173.06041	1.5
174.03169	1.5
175.03946	3.6
175.07585	2.5
176.01068	0.6
177.01945	5.7
177.05531	1.5
179.03484	7.3
180.03888	0.6
185.05981	1.0
187.03992	8.2
188.04761	5.7
191.03415	0.9
191.05557	0.7
193.04944	0.9
195.06618	7.8
199.07542	1.2
201.05544	1.6
202.06360	2.7
203.03534	1.3
203.07124	17.7
204.07486	0.9
205.05069	13.8
206.05455	0.9
207.06595	1.3
209.06114	0.6
212.04726	0.9
221.08145	5.6
227.07152	3.5
228.07515	0.7
229.05066	0.7
231.02899	1.4
233.43768	0.8
234.05264	2.3
235.06010	1.9
245.08163	25.0
245.10703	1.2
246.08574	2.3
247.06036	1.7
269.17487	1.6
271.06210	1.3
283.05963	0.7
289.07172	100.0
290.07513	9.7
303.05151	0.7
329.14261	0.6
357.09750	3.0
383.11060	3.1
401.12439	43.5
402.12698	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	401.1089
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
57.03447	1.4
59.01373	3.8
67.01911	0.9
68.99783	0.9
69.03442	1.9
69.62737	1.9
69.63143	3.1
71.01389	20.9
72.99304	0.8
73.02948	13.9
75.00877	1.6
78.63254	0.9
79.01928	0.8
81.03510	1.0
85.02958	10.2
87.00877	63.6
88.01230	0.9
89.02480	1.0
93.03483	1.1
94.02983	3.2
95.01386	1.2
97.02949	2.7
99.00893	1.7
101.02460	4.0
108.04546	1.6
109.02960	3.3
110.25577	0.9
113.02459	2.1
121.02966	1.3
123.04475	0.9
127.03981	0.8
131.03476	2.6
135.04477	1.1
137.02493	1.4
138.01976	3.2
151.00348	7.7
151.04024	1.4
152.03484	1.7
157.05051	1.0
157.90050	0.9
161.02486	1.5
163.03983	2.0
164.04790	1.8
165.01968	1.3
165.05611	1.8
166.02715	21.4
167.03041	1.0
173.04596	2.2
176.04680	1.5
177.01945	2.0
179.03493	2.1
179.07127	2.5
181.05058	20.2
182.05392	1.9
187.03903	1.0
191.03526	2.5
193.05106	1.2
194.05702	2.1
204.85753	0.8
206.05945	1.4
207.06676	1.4
209.08228	4.1
219.03065	1.4
234.05185	1.6
237.07730	1.7
239.09081	1.0
246.05260	1.4
249.07683	3.0
263.07764	0.9
265.07169	3.8
279.08884	0.9
290.44070	0.9
295.08224	2.3
325.09415	1.1
357.11798	1.1
401.10886	100.0
402.11066	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44000	2.0
55.01872	2.3
55.54018	2.0
55.87046	1.9
59.01373	5.7
60.94608	1.9
69.15794	13.1
69.16216	7.0
71.01382	7.6
72.99317	3.8
73.02941	5.0
75.00888	2.1
85.02952	7.6
87.00873	55.3
97.02962	2.1
101.02431	2.6
109.02941	2.5
111.00886	2.6
113.02503	1.9
119.05035	2.3
121.02944	3.2
123.00870	6.3
129.01906	2.0
135.04535	3.5
137.02513	1.9
140.84520	2.0
149.02409	3.5
151.00398	4.3
151.04015	3.8
161.02417	10.2
163.04012	24.3
164.04793	12.2
165.05521	5.5
166.02713	11.6
169.88734	1.9
173.02437	1.9
175.03947	4.9
176.04784	10.0
177.01917	4.1
177.05498	2.9
178.06352	22.5
179.03575	10.2
179.07137	34.0
181.05046	8.1
187.03944	3.0
187.81700	2.1
191.03513	21.0
191.07149	5.7
192.04225	2.4
193.05051	6.9
193.08710	4.6
194.05847	7.6
202.06374	1.7
203.03508	6.5
205.05055	7.9
206.05815	6.6
207.03058	3.1
207.06619	4.1
209.08208	9.5
218.05894	4.6
219.02942	5.4
220.03732	3.2
221.04556	4.4
221.08093	8.5
231.02956	3.1
234.05478	4.5
235.06084	2.3
236.06856	2.0
237.07559	2.6
238.04704	1.9
239.09299	1.8
247.02467	7.7
247.06107	2.9
249.07695	3.9
250.04845	2.9
251.09155	5.7
261.07758	2.0
262.04965	8.5
265.07162	54.8
266.07367	2.5
277.07153	34.3
278.07449	3.1
295.08215	82.3
296.08463	8.6
309.09814	2.0
325.09369	2.8
337.09286	3.2
355.10306	19.9
356.10703	2.8
383.09686	4.0
396.18466	2.4
401.10870	100.0
402.11093	12.0
413.85638	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
68.99806	2.1
70.99397	3.4
71.01389	4.3
72.99294	3.1
73.02935	5.3
75.00872	1.7
83.01384	1.4
85.02924	6.3
87.00873	65.6
91.14417	1.3
95.95033	1.3
99.00886	2.3
100.12669	1.3
101.02444	4.2
104.90072	1.4
109.02940	2.0
111.00847	1.8
113.02432	4.4
121.02946	2.9
123.00875	1.2
131.03473	2.9
137.02423	1.9
149.02408	4.7
151.00359	3.7
151.03978	2.7
161.02429	3.0
162.36368	1.3
162.56992	1.3
163.03976	1.8
164.04805	22.1
165.05548	6.3
166.02750	11.0
176.04784	4.8
177.01895	3.1
179.03531	17.3
179.07129	50.0
180.07556	1.7
181.05093	9.9
187.04007	1.9
191.03500	3.0
192.04282	2.3
193.05090	8.4
194.05856	16.3
200.40460	1.2
202.06355	1.8
203.03534	2.0
204.04182	1.3
207.03032	1.8
207.06548	4.3
209.08177	26.2
210.08553	2.0
222.05428	2.2
223.55481	1.5
231.02948	1.6
235.06157	2.5
237.07707	5.3
246.05151	2.0
249.07674	2.2
250.04922	2.3
261.07556	2.3
265.07162	100.0
266.07495	7.5
279.08893	1.6
325.09308	27.6
326.09567	3.0
382.28214	1.5
401.10867	87.0
402.11240	10.1
410.82336	1.3
412.66760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96340	0.7
57.03495	1.6
59.01440	6.4
61.98896	2.3
65.00401	0.7
71.01383	3.7
71.52432	1.0
77.03981	3.9
79.01979	2.1
81.03519	1.3
83.01465	2.0
85.03009	1.5
87.00922	1.1
89.02531	1.5
92.05207	0.7
93.03445	5.4
95.01476	0.7
95.05074	1.1
97.03039	2.0
101.02516	1.2
105.03551	2.3
107.01422	1.2
109.02936	5.2
113.02503	1.6
117.03472	18.2
118.03841	1.1
119.05098	2.5
121.02969	7.0
123.04575	4.1
125.02477	3.9
135.04515	5.3
137.02452	3.4
137.36006	0.7
139.04105	1.4
141.02000	0.9
143.04977	0.7
145.03067	1.2
145.63338	0.9
148.01736	1.1
149.02463	6.4
151.04085	1.8
159.04503	4.5
161.02473	10.5
161.04578	1.4
161.06047	1.2
163.00488	2.1
163.04019	6.6
164.01216	1.3
165.02016	1.8
167.03552	0.8
173.02411	0.8
173.04657	1.4
173.06189	1.0
175.02573	1.2
175.04033	2.3
177.01987	2.0
179.03598	1.9
183.04846	0.7
187.04031	1.1
189.01961	0.7
191.03564	2.8
191.05676	1.3
193.01692	0.7
195.06723	1.7
196.05399	0.8
197.06104	1.7
203.03598	2.0
203.07210	2.6
205.05165	2.7
209.06068	0.9
211.07663	1.3
215.07146	1.7
217.01546	0.7
221.08101	1.1
224.04819	1.2
225.05681	1.3
227.07143	0.8
234.08232	0.7
237.05560	0.9
239.07185	2.4
240.13402	0.7
243.06505	1.0
245.08241	3.9
264.04199	0.8
266.06973	1.0
267.06821	1.0
268.03741	3.9
269.04550	5.7
269.17648	3.2
281.04572	7.6
281.09454	2.0
282.05316	2.5
283.06128	77.8
284.06454	7.6
289.07193	13.5
290.07428	1.1
293.04623	3.6
295.06189	3.3
297.04019	1.0
309.04047	1.4
311.05634	100.0
312.05914	9.7
314.04376	1.0
323.05627	7.0
324.05930	1.3
325.08069	0.9
339.05042	1.3
341.06668	13.4
347.05402	1.5
401.08682	96.0
402.08981	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	1.1
57.24745	0.7
59.01380	7.9
61.98869	2.1
69.24444	6.4
71.01390	3.3
73.03001	1.2
77.03974	5.6
79.01945	2.7
81.03521	1.0
83.01437	0.7
85.03009	1.3
87.00905	0.9
89.02471	0.9
90.25770	0.6
93.03470	5.7
97.03007	1.7
98.20810	1.0
101.02477	1.7
105.03543	2.0
107.01461	1.2
109.02954	5.6
111.04573	0.7
113.02520	1.5
117.03470	20.2
118.03854	1.0
119.05108	2.3
121.02971	5.8
123.04587	2.7
125.02444	4.4
129.02002	1.0
133.03035	1.9
135.04526	6.1
137.02516	2.9
139.04056	0.9
141.02042	0.8
145.03046	1.2
147.04550	1.1
149.02432	6.2
151.00424	0.7
151.04042	1.7
159.04521	4.6
161.02458	11.2
161.06050	1.2
162.03036	1.0
163.00439	2.0
163.04024	7.7
165.01999	2.7
173.02408	0.8
173.04613	2.2
173.06012	1.0
174.03294	0.7
175.00391	0.8
175.02626	1.0
175.04027	1.6
177.01996	2.3
179.03522	3.4
182.03792	0.6
187.04066	1.0
189.01955	1.3
191.03589	2.7
191.05666	0.9
195.04620	0.9
195.06569	1.3
196.05333	1.0
197.06107	2.2
203.03577	2.5
203.07201	2.2
205.01401	0.9
205.05090	2.6
211.07703	1.7
215.07077	1.4
221.08253	0.7
224.04713	1.1
225.05638	1.8
237.05643	1.0
237.19962	0.8
239.07170	3.0
241.05089	0.7
245.08093	3.2
253.14337	0.8
268.03690	4.7
269.04486	6.5
269.17667	2.8
280.55350	0.8
281.04575	7.8
281.09436	0.9
282.05301	2.8
283.06107	79.5
284.06433	8.2
289.07159	12.6
293.04651	3.4
295.06134	2.6
309.04007	1.7
311.05600	100.0
312.05954	10.2
314.04224	1.3
323.05624	6.8
339.04919	2.0
341.06604	13.6
342.06934	1.8
357.10156	1.0
401.08658	90.5
402.08960	11.0
402.13272	0.9
423.52209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11158	1.1
57.03427	2.0
59.01374	14.5
61.98797	4.2
65.52000	1.2
71.01392	8.2
71.52458	1.7
73.02920	2.2
77.03944	1.7
81.03421	1.5
83.01406	3.2
85.02939	3.8
89.02431	3.7
93.03451	9.7
94.09750	1.4
95.01348	1.7
95.05004	1.3
97.02940	2.0
99.00825	1.7
101.02397	2.6
102.96128	1.1
107.01308	2.4
108.02114	1.6
109.02958	16.1
109.89916	1.4
111.04446	2.0
113.02420	2.3
117.02666	1.6
117.03458	18.2
118.03914	1.4
119.04988	1.5
121.02878	3.7
122.03748	1.5
123.04533	8.5
125.02441	8.2
133.02966	7.4
135.04538	8.8
136.01654	1.4
137.02460	6.7
139.04015	2.3
141.01846	1.9
145.02948	1.5
147.04466	1.9
149.02367	5.8
150.03221	1.3
151.00282	2.7
151.03954	5.2
155.03519	1.3
156.43060	1.4
159.04431	5.0
161.02448	13.0
161.04456	2.1
161.05989	2.3
163.00282	3.6
163.03952	4.3
165.01855	5.1
167.03430	4.1
173.02228	1.4
173.04576	13.6
175.02432	1.5
175.03909	3.6
177.01932	12.8
178.46545	1.2
179.03380	3.6
187.03937	1.3
188.04565	1.4
189.01813	2.7
190.02304	1.6
191.03424	1.6
191.05508	7.5
193.01352	1.5
201.05389	2.1
203.03435	2.3
203.07030	3.6
205.04886	3.4
211.07509	1.6
213.05547	1.9
221.11887	1.4
237.05466	1.7
239.07042	2.1
245.08035	4.7
253.04831	2.5
268.03845	7.2
269.01974	1.7
269.04538	20.2
270.04886	1.8
281.04550	24.9
282.02634	1.6
282.05267	23.0
283.06116	46.6
284.06250	4.0
289.07138	20.1
293.04492	2.6
295.06082	11.1
296.06216	1.6
308.03021	3.8
309.03882	2.8
311.05585	100.0
312.05917	9.0
314.04184	2.7
323.05521	15.5
337.06763	2.4
339.04880	1.7
341.06668	78.3
342.06937	10.0
345.54834	1.4
347.05499	2.4
353.06531	1.6
365.06476	2.5
383.07657	15.7
384.07748	1.8
401.08423	58.5
401.12408	6.8
401.17807	7.0
402.08664	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	401.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.2
59.01383	25.8
61.98808	1.6
69.03448	3.0
71.01385	16.9
71.05036	0.9
71.51388	1.1
72.99297	1.7
73.02946	2.2
73.99136	1.0
75.00839	1.0
81.03432	3.9
83.01391	7.2
83.05007	1.5
85.02938	6.2
87.00845	3.6
88.04019	3.3
89.02451	19.0
93.03441	5.8
95.01358	2.9
95.05041	4.8
97.02947	10.5
97.23769	1.0
99.00850	3.3
101.02449	6.8
107.05038	9.6
108.02187	1.9
109.02956	44.8
110.03264	1.8
111.00882	2.2
111.04501	2.7
113.02408	4.3
119.03461	2.9
120.04565	1.4
121.02945	6.5
122.03706	2.6
123.00889	1.9
123.04520	26.2
125.02447	25.2
129.10307	1.8
131.03468	3.7
133.02963	2.1
133.06619	1.3
134.38237	1.0
135.04541	9.6
137.01503	1.3
137.02460	21.3
138.03076	1.4
139.00343	1.2
139.04015	10.6
145.02925	2.4
146.03624	1.4
147.04466	3.0
149.01457	1.0
149.02451	13.3
149.04504	4.0
149.05690	1.1
150.03139	1.9
151.04004	19.5
152.04404	1.7
153.01888	3.1
159.04498	5.8
160.05203	2.1
161.02454	7.5
161.04678	1.8
161.06036	8.2
161.28044	0.9
162.03140	3.2
163.00359	2.3
163.03947	3.8
164.01120	3.4
164.03511	1.7
165.01881	4.4
165.05501	1.3
167.03424	4.3
173.04482	6.8
173.05945	1.7
174.03168	1.6
175.03931	5.0
175.07608	3.0
176.01118	2.0
177.01907	4.5
177.05493	2.4
178.02725	2.2
179.03474	8.2
179.10553	1.4
180.03813	1.0
180.05464	1.0
185.05992	2.3
185.64961	1.0
186.06671	1.1
187.03969	6.0
188.04758	5.5
189.01936	2.1
189.05525	1.2
191.03481	3.8
191.05548	9.8
195.02933	3.1
196.06139	1.1
202.06250	2.8
203.03493	1.7
203.07143	17.5
204.07426	2.1
205.01401	1.9
205.05069	13.0
213.05518	2.6
215.07114	13.6
216.07491	1.4
217.01392	2.0
219.02950	1.1
221.08148	3.7
221.11736	2.5
227.07062	3.4
230.05817	1.4
239.12798	1.0
240.05150	1.3
245.08179	22.2
246.08514	1.9
247.06215	2.2
249.03976	1.5
257.07990	4.3
271.05878	1.8
289.07178	100.0
290.07593	10.4
293.08575	2.1
301.07141	24.2
302.07410	2.5
341.06497	4.4
348.79956	1.0
357.09637	1.1
371.23190	1.0
401.08554	44.2
401.12421	3.5
401.17868	6.2
401.23273	2.2
402.08914	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	401.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	28.1
59.01688	1.4
61.98829	3.4
65.43185	0.7
69.13343	7.9
78.36395	0.7
84.62560	0.7
85.91136	0.7
98.20669	1.5
115.02521	2.7
117.00453	10.6
122.85515	0.7
129.18866	0.7
141.00435	1.6
156.98444	1.3
157.03551	1.3
159.01517	13.7
160.01689	0.8
164.51192	0.7
173.08719	0.6
174.99510	11.9
175.99654	0.9
198.91971	1.7
198.99474	8.0
199.99680	1.4
201.02530	5.5
215.02611	1.3
217.00539	24.6
218.00761	3.5
231.00626	1.7
232.98555	3.4
241.00542	9.1
242.00673	1.2
256.98630	2.3
259.01602	31.4
260.01691	5.6
273.01678	6.6
274.01614	0.9
274.99619	26.6
275.99664	7.6
298.99686	2.8
299.99866	1.0
311.02933	0.8
315.02777	8.4
316.02850	1.6
317.00650	59.3
318.00827	13.6
318.04330	1.4
341.00745	2.6
341.10883	1.2
357.03763	6.4
358.03961	2.1
359.01733	47.4
360.01889	13.7
383.01611	5.0
384.02121	0.9
401.02789	100.0
402.02951	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	400.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16364	1.3
56.35502	1.1
58.02976	13.2
59.01381	4.4
64.72011	1.2
71.01376	3.0
71.51829	1.7
72.00906	1.6
74.02471	28.1
81.04601	2.1
82.03002	2.6
84.95300	1.2
85.02919	1.6
86.02480	13.8
87.05626	5.1
89.81713	1.5
93.03460	1.7
96.04510	1.6
97.04079	3.2
99.05644	24.1
101.02437	1.3
101.07191	4.5
102.05608	4.3
107.06196	1.9
109.02965	2.3
109.04070	4.1
109.07696	1.3
111.05612	2.0
112.04028	2.7
125.03575	2.8
127.02234	35.8
127.05098	2.0
128.03540	79.3
129.03914	1.8
135.04494	4.4
135.05673	4.9
137.07150	2.1
141.06712	3.0
143.04623	100.0
144.05022	1.8
145.06183	3.9
146.04561	9.8
153.06683	3.9
155.08308	1.8
166.09821	4.6
167.04582	5.0
167.08250	4.3
170.03278	1.5
171.04027	1.7
173.04567	3.5
179.04631	23.2
180.04927	1.7
184.10892	1.9
185.05637	3.9
188.48601	1.3
195.06616	1.3
197.05653	3.5
210.08847	22.1
228.09857	2.5
245.82281	1.4
246.29918	1.4
254.07822	39.6
271.07767	1.4
272.08862	58.9
273.09387	3.3
400.11807	18.9
401.12329	6.3
401.18295	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	400.052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17583	0.3
59.01376	0.7
61.98830	100.0
65.92265	0.2
69.30462	2.2
71.01389	0.8
74.43806	0.2
87.00864	0.3
96.39667	0.2
99.00906	1.3
109.02951	0.7
114.42125	0.3
115.00362	1.6
129.28625	0.2
133.02954	0.4
139.00374	0.8
147.04646	0.3
149.06102	1.1
157.01413	0.4
158.98387	0.3
159.03035	0.4
161.02443	2.5
165.01901	0.3
173.04622	0.8
174.04887	0.3
175.02518	1.4
175.03925	0.4
177.01935	2.8
206.02260	0.3
219.02992	0.4
233.04514	2.4
237.04132	0.6
277.03546	6.1
278.03848	0.7
293.06693	0.6
319.04562	2.4
320.04956	0.5
328.24390	0.2
337.05618	2.2
400.05328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89088	4.2
55.01869	6.3
57.03439	6.7
59.01387	27.4
61.98826	18.1
70.22567	4.5
71.01380	24.4
71.51295	4.8
71.51674	5.2
74.95353	4.2
81.97246	4.6
83.01399	6.8
85.02940	23.8
93.03446	24.0
93.44595	4.4
99.00905	4.4
101.02470	22.7
109.02973	7.8
113.02454	11.2
119.05021	14.9
137.02415	5.9
161.04599	5.9
163.03976	13.4
163.07671	11.6
164.07964	14.7
173.04549	100.0
174.04877	24.4
191.05606	12.6
269.10657	4.4
269.13876	9.7
337.09229	10.6
401.12949	6.4
401.18185	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	399.1693
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
55.36029	0.6
55.65243	0.6
59.01388	1.5
61.98824	1.8
71.01363	0.9
71.51743	1.0
78.95946	0.6
79.95741	8.3
80.96523	2.1
83.28732	0.6
85.02926	1.0
96.96012	69.5
101.02456	1.4
121.02961	1.4
128.73230	0.7
135.95885	0.6
137.96332	1.3
138.97098	1.6
140.48431	0.6
156.15033	0.6
231.07944	0.7
241.00168	1.0
279.12726	0.8
285.90826	0.7
399.16910	100.0
400.17285	12.9
400.22101	0.5
418.02087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1693
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
59.01381	1.2
61.98846	0.9
63.89849	0.7
66.77180	0.6
70.58331	1.4
70.58719	1.4
71.24096	0.6
73.02955	0.6
77.61658	0.7
78.12483	0.7
79.95717	3.4
80.96511	1.4
96.96013	100.0
98.20580	0.9
101.02451	1.9
105.18596	0.8
113.02435	1.1
124.68050	0.7
138.97064	1.3
145.93031	0.7
152.98627	0.8
180.98119	2.9
222.40334	0.6
241.00246	9.1
242.00464	0.7
358.16162	0.7
399.16925	98.3
400.17276	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	399.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56923	0.7
56.65552	0.7
57.03459	4.1
60.36291	0.7
63.19849	0.8
69.39655	6.5
82.79940	0.8
84.02166	1.3
85.02943	4.7
98.20696	1.9
144.91505	1.0
181.02002	0.9
239.33444	0.9
293.28485	1.6
295.30112	16.6
296.30536	1.4
323.33130	8.5
324.33377	0.9
333.31781	2.8
333.64694	1.1
335.33118	6.3
351.32687	2.7
353.34207	10.5
354.34418	1.1
399.34772	100.0
400.35156	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	398.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.4
61.98832	53.9
69.26678	17.8
71.01375	6.7
71.01744	1.8
72.99300	2.7
73.39782	1.9
85.02969	2.2
87.71000	1.7
89.02437	6.6
93.03455	9.6
97.54829	1.7
99.21884	1.8
101.02458	4.2
109.06413	1.6
113.02483	2.9
119.03521	2.9
123.04507	2.9
125.02422	2.0
133.02945	22.4
134.03691	5.0
135.04642	8.9
136.86374	1.7
137.02431	5.3
155.03545	1.9
160.08931	8.3
161.02449	100.0
162.02806	3.2
163.04042	2.5
173.04515	4.1
175.11316	15.5
177.01961	2.4
178.02676	2.6
179.03311	5.6
189.28322	1.9
192.79980	1.9
193.05005	4.6
194.05371	4.3
206.00876	2.7
206.53268	1.9
219.10260	24.2
224.01920	7.3
225.04623	2.5
294.51685	2.0
325.17151	2.6
335.07712	61.8
336.08066	6.6
398.07928	5.9
399.07312	6.3
399.16696	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	399.169
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
50.01441	0.3
59.01375	0.9
61.98817	0.6
69.48174	1.1
69.48602	1.4
71.01409	2.1
72.99293	0.4
73.02940	0.4
78.95920	1.1
79.15536	0.4
79.95738	3.2
80.96518	3.0
85.02949	0.6
87.00886	0.8
95.95235	0.4
96.96012	100.0
97.02968	0.4
99.00893	0.5
101.02441	1.3
113.02459	0.5
121.02944	0.8
122.97587	0.6
138.97070	7.9
143.03494	0.4
150.97084	1.2
164.98596	0.9
168.98099	0.6
171.80093	0.3
180.98279	0.8
222.99156	1.3
241.00237	9.4
242.00667	0.5
262.88330	0.3
396.64783	0.4
399.16916	94.8
400.17239	10.7
411.29138	0.4
411.62091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3322
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
59.01382	100.0
60.01699	1.1
61.98835	0.8
66.71823	0.7
69.39474	6.7
74.11695	0.9
79.95755	0.9
85.02950	16.8
96.96009	3.8
143.37343	0.8
171.05984	0.8
175.83264	0.8
261.66971	1.0
293.28629	4.2
331.15271	0.8
397.22675	6.3
397.33212	45.6
398.33490	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	397.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73640	1.4
58.42089	1.1
59.01357	1.2
69.78921	2.0
69.79325	3.8
72.57470	1.0
79.95721	2.5
80.87452	1.1
96.87267	1.1
96.96016	16.5
98.19946	1.2
98.66600	1.0
113.87856	1.1
120.35529	1.0
222.96114	1.0
274.11649	1.1
309.41290	1.2
322.57263	1.1
335.33170	60.8
336.33511	7.9
351.32596	4.5
368.60550	1.2
379.32187	14.0
397.22647	20.6
397.33200	100.0
398.22977	3.0
398.33566	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	398.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	27.5
61.72027	7.5
61.98825	24.5
69.19002	77.5
71.01401	35.7
85.02959	14.4
87.00885	8.3
88.51147	7.3
89.02432	11.4
93.03462	13.6
101.02439	28.3
108.04192	7.4
113.02457	10.9
117.42814	7.6
125.02427	7.5
133.02940	24.3
161.02428	100.0
161.04541	16.4
176.43993	8.5
251.11374	53.1
335.07660	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74686	0.8
58.00592	0.9
59.01381	22.0
61.98822	1.3
70.72100	2.1
71.01375	1.8
72.99303	2.4
81.41429	0.7
84.99314	2.1
87.00876	16.6
87.04540	0.7
89.02402	0.8
103.00371	9.4
112.98812	16.7
130.99838	1.5
149.00877	1.9
149.13391	2.0
177.16483	1.1
203.17966	2.9
205.24976	0.7
210.25827	0.7
221.15459	25.0
221.18867	0.9
222.15800	1.0
224.01917	0.7
247.17009	29.6
248.17331	2.4
265.18060	100.0
266.18430	8.6
315.09067	0.7
319.42432	0.8
397.18509	2.7
418.39850	0.9
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	Cinncassiol E
Peak:m/z	Relative Intensity
57.03450	0.7
58.00584	2.1
59.01367	1.1
61.98809	1.3
69.67729	0.5
70.32936	0.5
71.01375	1.1
71.52044	0.7
73.02935	0.7
75.00867	0.8
81.21350	0.4
85.02945	0.9
87.04517	4.4
93.03414	0.6
95.05019	0.5
113.06084	7.6
114.06397	0.5
135.04555	0.4
137.09705	4.6
161.02412	0.4
165.04144	0.6
165.05531	2.0
168.14235	0.4
189.12886	1.2
190.02731	0.6
191.14388	1.5
199.11461	0.5
199.58919	0.4
206.08241	0.6
217.12399	0.5
217.15843	0.5
218.90436	0.4
219.17447	0.4
224.01918	0.5
227.14407	0.6
233.19067	0.5
243.17513	1.5
245.19275	0.7
249.04018	0.8
257.15485	14.9
258.15811	1.0
261.11310	10.2
261.18704	0.5
261.36578	0.4
262.11700	0.9
273.18588	10.2
274.18988	1.2
275.16492	2.8
277.03442	1.2
287.10092	0.4
289.18121	1.5
291.19589	3.1
309.20728	4.0
310.20911	0.7
317.17471	0.5
335.18625	38.0
336.19003	4.3
353.19696	5.3
361.16599	1.6
379.17612	14.4
380.18033	2.3
397.18661	100.0
398.18979	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	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.1
55.01865	4.9
56.77596	0.9
57.03432	2.4
58.00587	3.8
59.01379	100.0
63.14529	1.0
65.02191	0.9
68.47536	1.0
68.99818	1.5
69.03447	6.3
71.01382	90.4
72.01713	2.3
72.99310	8.2
73.02946	19.3
75.00903	1.5
78.95900	3.8
80.87005	1.1
81.03448	3.7
83.01378	9.9
85.02945	19.7
86.00092	1.9
87.00879	19.8
89.02444	74.2
90.02775	1.3
91.04004	1.9
93.03448	1.9
95.01404	7.2
95.05000	1.2
97.02950	16.9
98.19764	1.8
99.00900	6.5
99.04484	2.2
101.02442	72.5
102.02789	1.8
103.04025	2.2
109.02927	2.8
111.00873	1.8
111.04503	5.4
113.02446	36.4
115.04011	3.7
115.40353	0.9
119.03503	25.8
120.58363	1.0
121.02941	2.7
124.01633	1.1
125.02444	25.6
129.01877	1.1
131.03479	3.1
133.04227	1.0
133.05078	6.8
139.04056	2.1
140.86244	1.0
141.01926	1.6
143.03497	9.0
149.04565	3.1
157.05096	1.4
161.04552	15.2
165.01918	1.3
167.03448	2.2
169.05035	3.2
179.05641	5.6
203.05724	1.6
217.07233	1.7
221.06662	3.2
235.08188	24.0
236.08437	1.4
243.70316	1.1
253.09174	2.0
263.07782	2.0
277.09314	1.8
287.07785	1.6
305.08658	1.5
323.09772	1.6
379.12143	2.5
397.13489	77.9
398.13800	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	395.3166
Annotation	7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate
Peak:m/z	Relative Intensity
56.79140	1.0
59.01370	4.1
61.56562	1.0
61.98801	1.1
68.41679	1.2
70.35973	3.3
94.58451	1.1
187.24403	1.0
199.44514	1.0
274.07288	0.9
311.16919	1.9
333.31647	47.0
334.31897	8.0
351.32898	1.5
377.30630	16.3
378.30713	2.0
395.31635	100.0
396.31949	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	396.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38060	0.6
59.01381	100.0
60.01718	2.4
61.98833	29.9
71.01402	1.0
74.02612	0.6
79.95728	0.7
96.96024	5.3
106.47667	0.6
135.06715	0.7
157.98865	0.6
167.30476	0.6
278.18607	1.1
300.08530	0.6
309.02899	0.6
326.48535	0.6
360.84851	0.7
396.24631	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	397.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03436	3.3
59.01073	1.3
59.01375	21.1
61.98830	2.1
67.01885	2.2
68.99792	3.0
69.03448	1.7
69.19108	10.3
71.01003	1.8
71.01379	23.2
72.99310	5.5
73.02938	2.8
75.00871	24.1
82.62316	0.9
83.01376	1.9
85.02950	26.7
87.00883	9.2
89.02430	6.2
93.03436	2.0
95.01381	7.4
98.19844	2.0
99.00874	14.9
101.02454	1.8
103.00369	2.2
103.05534	4.7
106.06615	3.0
109.02930	2.8
111.00870	1.8
113.02447	34.1
115.00332	3.6
117.01959	4.7
119.05005	3.2
129.01962	2.7
135.04518	1.1
147.04518	100.0
148.04863	4.9
150.05563	2.4
157.01399	1.5
167.06129	3.8
175.02489	2.7
181.07744	3.1
189.03983	1.1
191.84300	1.0
225.06554	1.3
231.05002	6.4
249.06133	76.5
250.06487	4.3
264.11304	3.9
266.16254	1.1
292.11084	1.3
308.10434	2.5
326.11356	1.4
355.00778	1.2
379.10376	2.9
396.78217	1.1
397.11343	71.9
398.11502	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	395.1922
Annotation	Creoside IV
Peak:m/z	Relative Intensity
52.55704	0.6
54.19269	0.6
55.01882	6.9
57.03448	5.5
58.00582	4.0
59.01378	82.8
60.01698	0.8
61.98803	1.8
69.03440	2.8
71.01380	82.8
72.01692	1.3
72.99308	5.4
73.02945	28.0
73.03357	1.5
75.00826	1.5
81.03434	1.2
83.01382	16.9
85.02948	37.0
86.00092	2.5
87.00880	5.2
88.98786	2.0
89.02442	45.0
90.02758	1.1
95.01402	3.5
97.02951	4.7
99.00877	10.3
99.08178	1.4
101.02441	80.9
101.09726	0.8
102.02761	2.9
109.02934	2.0
110.64098	0.6
111.00871	8.1
113.02452	24.5
114.02770	1.2
115.04004	2.0
119.03416	1.4
125.02466	5.1
127.03965	0.7
129.01906	2.5
131.03497	28.0
135.04556	1.2
143.03505	3.9
149.04559	10.2
159.03009	3.9
161.03261	1.2
161.04549	20.8
162.04831	1.0
173.04518	1.8
191.05608	1.0
215.05498	1.2
227.22966	0.7
233.06602	4.5
245.13890	1.5
254.36206	0.7
263.14969	100.0
264.15320	7.8
395.19199	69.2
396.19568	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77304	0.8
55.01881	1.0
57.03455	1.0
58.00590	3.2
59.01380	87.7
63.85703	0.9
69.76089	5.1
71.01380	61.9
72.01722	1.7
72.99307	3.5
73.02940	12.8
83.01395	2.5
85.02945	9.2
87.00871	2.4
89.02444	100.0
90.02766	2.5
93.03474	0.9
95.01394	2.0
97.02957	1.5
99.00885	19.3
101.02443	37.5
102.02773	0.8
108.65683	0.8
109.02952	1.2
113.02448	16.8
119.03497	15.6
125.02456	3.8
131.03506	15.0
135.04614	1.0
143.03511	3.5
145.08667	2.1
149.04552	45.4
150.04872	1.2
161.04555	4.6
173.04553	2.9
179.05588	8.4
187.07701	1.0
191.05624	12.2
202.62663	0.8
233.06609	1.3
251.07771	2.4
261.13406	2.0
266.70758	0.8
282.74896	0.9
311.05646	1.2
312.06250	1.1
349.14899	4.0
393.06464	1.2
393.17706	18.8
394.18137	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	394.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95729	0.3
57.63081	0.3
59.01379	0.6
60.53048	0.2
61.98829	4.4
65.21870	0.2
78.95906	100.0
96.96005	0.9
96.96965	3.5
105.83293	0.3
115.47284	0.2
127.66611	0.2
160.89479	0.3
179.60486	0.4
244.72307	0.3
394.23602	19.9
395.24423	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	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43677	0.6
55.01883	4.1
57.03442	4.3
58.00585	1.6
59.01384	35.0
61.98812	1.9
65.42058	0.7
69.03458	1.0
71.01385	43.2
71.64243	0.6
72.01701	0.7
72.99306	2.1
73.02950	27.9
74.03305	0.8
75.00863	1.3
79.85795	0.6
83.01387	12.0
85.02456	1.4
85.02957	24.5
86.00085	1.9
86.03266	0.8
87.00892	2.6
89.02444	8.7
93.03450	1.4
95.01381	3.1
96.95966	0.9
97.02944	2.8
98.20651	1.6
99.00876	9.6
99.04555	0.8
99.08150	1.4
101.02447	46.6
102.02803	1.2
109.02969	5.2
111.00867	1.8
111.04536	0.9
113.02456	17.5
114.02787	0.8
115.03987	1.9
122.02490	1.5
122.31022	0.6
123.04419	0.8
125.02447	3.4
129.01939	1.4
131.03529	3.3
131.13542	0.8
135.04541	4.2
143.03473	2.5
144.05487	0.7
146.04614	0.8
149.04575	1.4
151.04108	0.9
159.03036	4.0
160.45795	0.7
161.02431	1.0
161.04561	17.1
171.10291	0.7
172.80180	0.6
173.04544	1.8
177.01942	2.1
179.03479	1.1
189.01808	0.8
189.24191	0.6
190.02879	0.7
191.05603	2.4
195.06538	1.2
217.01411	0.8
233.06648	2.2
234.00383	1.9
263.14990	100.0
264.15320	6.5
289.07144	3.2
307.13858	1.0
395.19223	53.6
396.05713	2.6
396.19720	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.41861	0.4
57.03446	1.6
58.00595	3.0
59.01380	91.8
60.01714	1.4
68.52902	0.5
69.03448	0.8
69.41136	3.3
71.01382	66.7
72.01728	1.2
72.99325	3.5
73.02946	11.7
83.01383	3.4
84.80109	0.4
85.02950	10.7
86.00076	1.2
87.00883	10.3
89.02444	100.0
90.02804	2.3
95.01380	1.1
97.02959	1.1
99.00880	1.0
101.02442	43.5
102.02773	1.1
109.02935	1.2
111.00916	1.0
113.02453	11.9
117.14544	0.4
119.03507	8.0
125.02493	2.2
129.01935	0.4
131.03505	44.5
132.03807	1.1
134.04732	0.5
135.04541	0.5
143.03436	1.3
149.04558	56.7
150.04848	1.4
161.04593	1.0
173.04552	0.9
175.03934	0.6
179.05576	2.0
191.05618	21.1
192.05905	1.2
215.03513	0.6
216.04353	0.8
231.06555	0.9
233.06499	0.6
241.26155	0.6
251.07635	0.6
261.13275	0.7
283.24979	0.5
323.75455	0.6
343.28693	0.4
354.18054	0.5
393.06323	1.1
393.13028	0.5
393.17603	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	392.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32993	0.6
53.75623	0.6
59.01375	9.6
61.98830	100.0
64.31370	0.6
66.45101	0.7
67.01884	0.9
71.01389	3.6
71.52750	1.0
73.80016	0.7
81.03466	1.2
82.68240	0.7
83.01398	1.1
85.02948	1.7
87.00871	0.7
89.02444	1.5
93.03457	2.8
94.03818	1.1
99.00898	0.8
101.02422	1.1
107.05032	0.8
113.02461	1.4
123.04535	7.7
125.02456	0.9
133.02916	1.0
135.04520	5.6
136.04884	2.1
137.02466	1.4
167.03490	30.9
173.04533	8.2
174.04881	5.8
175.85370	0.7
179.03505	1.2
191.03525	8.4
191.05618	6.0
192.05988	4.1
193.06084	1.3
209.04614	2.7
217.09093	0.8
261.13553	1.7
329.08755	13.3
330.09207	1.8
354.09216	3.2
393.06314	1.7
393.17722	3.2
407.57797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29475	0.3
51.61352	0.3
59.01384	0.5
61.98830	100.0
68.13218	0.3
69.51972	1.6
69.52375	0.7
93.03469	0.5
94.20440	0.3
98.19945	0.6
123.04555	1.1
125.02393	0.7
135.04552	1.0
136.04871	0.6
167.03485	6.1
185.19980	0.3
195.06673	0.5
212.20949	0.4
236.83676	0.4
329.08865	0.7
354.09241	0.5
358.87109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.6
57.03447	5.4
58.00585	3.1
59.01379	92.1
68.03823	0.9
69.03447	1.3
71.01380	75.2
71.52318	1.2
72.01706	1.8
72.99308	3.9
73.02945	24.0
75.00879	1.3
76.52164	0.7
83.01385	16.2
85.02950	33.8
86.00078	1.3
87.00868	5.4
89.02442	34.9
93.03471	1.6
95.01389	4.2
97.02943	3.0
99.00884	10.2
99.08131	1.1
101.02443	68.2
102.02783	1.3
109.02944	1.1
109.62006	0.9
111.00893	5.8
111.08130	0.8
113.02454	27.1
115.04037	1.1
116.92857	1.6
119.03517	1.7
125.02437	4.9
129.01970	1.6
131.02541	1.6
131.03503	29.7
134.03725	2.7
135.04483	2.5
143.02550	0.7
143.03490	4.6
149.04536	9.2
159.03032	4.7
159.04248	1.0
160.01656	6.2
161.01836	0.9
161.04552	18.9
173.04561	4.4
174.04849	2.0
175.03862	8.8
175.05286	1.6
186.06859	5.4
191.05655	1.4
193.05072	3.6
215.05629	1.5
233.06592	5.0
261.13416	82.6
262.13745	5.2
305.12460	0.8
313.15375	0.8
333.15411	2.9
333.19037	0.9
355.09885	3.2
361.10425	1.2
393.17639	100.0
394.18011	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80222	0.3
55.01873	0.5
57.03458	1.8
57.90681	0.3
58.00597	0.6
59.01381	17.8
61.98834	1.5
68.36331	0.3
69.18887	1.0
69.19310	2.3
71.01395	5.4
71.05008	0.5
72.99311	1.3
73.02956	1.6
75.00842	0.4
83.01389	1.0
84.99316	0.9
85.02956	2.2
85.06591	0.9
87.00877	7.0
89.02454	1.7
93.03448	0.8
95.01371	0.8
98.19859	0.7
99.00880	0.9
101.02440	3.6
103.00388	4.1
112.98821	8.2
113.02439	2.1
119.03493	0.7
127.11304	0.9
130.99858	1.2
135.04526	0.8
141.12883	0.6
143.03558	0.5
149.00919	0.9
149.04507	0.3
159.02980	0.4
161.04576	1.8
173.04527	1.3
179.39729	0.3
195.17480	0.3
213.18480	0.4
222.26508	0.3
229.18085	1.2
241.18105	2.8
257.17551	1.7
259.19125	100.0
260.19479	10.0
283.06213	0.4
311.05640	1.2
391.19012	2.4
391.23325	1.8
391.27542	6.6
392.27512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
58.96673	0.5
59.01382	19.0
61.98828	3.2
62.56510	0.5
70.90128	1.3
71.01376	5.2
71.05022	1.5
72.99315	1.0
73.02950	2.5
83.01363	0.9
84.99311	0.8
85.02958	3.4
87.00877	6.9
89.02450	2.4
93.03461	1.0
93.62025	0.5
95.57809	0.5
99.00884	0.6
99.08170	0.6
101.02439	3.7
103.00390	3.6
109.03014	0.6
112.98818	8.5
113.02425	1.6
113.09740	0.9
119.03550	0.9
127.11278	1.1
130.99840	1.0
133.02943	2.1
135.04564	2.6
149.00880	1.1
155.14464	0.7
161.02501	4.4
161.04573	1.5
171.10330	0.7
173.04556	1.1
179.03511	1.4
183.67470	0.5
211.13213	0.5
213.18565	0.6
227.07170	0.7
228.07491	0.9
229.08144	1.0
241.18140	2.6
242.18330	0.5
250.60995	0.6
257.17642	1.9
259.19138	100.0
260.19492	9.1
297.04034	0.7
299.05722	0.8
327.05014	3.8
328.05569	0.9
331.17804	0.8
335.07700	1.8
371.04840	0.6
391.14636	0.8
391.19461	6.4
391.27069	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	391.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
58.00597	4.6
59.01383	100.0
67.01903	2.0
70.42188	6.3
71.01384	62.6
72.99305	7.1
73.02959	4.6
83.01400	4.5
85.02950	17.1
87.00879	4.5
89.02445	73.8
90.02803	2.0
95.01382	5.2
97.02997	2.8
99.92593	2.8
101.02431	33.1
107.05027	11.9
111.00896	4.1
113.02442	22.6
115.00455	2.1
117.44841	2.0
119.03510	30.3
123.04502	2.5
131.03503	3.9
133.02934	2.4
134.03706	3.0
135.04536	81.9
136.04855	2.8
143.03537	6.5
149.06071	2.0
153.01901	4.1
157.01419	3.3
161.04524	6.2
168.04301	3.1
175.02611	2.9
179.05672	5.7
193.05058	3.7
210.05272	2.5
218.97537	3.6
270.12671	1.8
315.11121	2.4
347.13330	7.9
359.09839	56.7
360.10031	7.3
391.12253	6.6
391.16666	3.2
391.23260	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32438	6.4
59.01377	100.0
64.82556	7.8
70.56898	18.4
70.57232	7.8
72.00475	7.0
73.45507	7.1
78.24579	6.7
93.87318	6.7
129.09415	6.7
136.07310	8.8
145.67966	7.4
183.72423	7.8
208.68422	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07109	5.3
55.56559	4.9
59.01380	30.8
61.46667	5.3
61.98831	100.0
69.57124	12.6
69.57534	18.8
79.63720	5.9
79.89040	5.7
89.02467	5.5
122.61237	5.3
163.56946	5.5
194.43752	5.6
217.08640	9.9
321.22949	6.6
409.31812	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	391.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01381	15.1
67.01894	2.1
70.64844	2.3
71.01389	7.2
73.02946	1.6
81.03466	1.1
83.01380	0.9
83.05021	0.8
85.02966	2.3
88.04042	0.7
89.02441	2.8
93.03458	19.7
94.03767	1.0
99.00829	0.8
101.02464	3.2
107.05042	3.0
109.02945	1.0
111.04517	3.7
113.02442	2.2
115.00333	1.1
119.03506	1.3
132.02190	3.3
132.03052	1.2
134.03752	10.7
135.04535	32.8
136.04852	2.5
137.02441	3.0
138.44789	0.7
149.06044	1.4
155.03499	2.6
160.01662	25.5
161.02222	0.7
169.08701	0.8
173.04549	100.0
174.04895	6.2
175.03969	40.6
176.04378	2.9
179.03491	8.8
180.03824	0.9
185.84267	0.8
191.05638	7.6
191.07175	1.5
193.05046	15.4
203.08180	0.7
213.01906	1.9
217.05054	2.9
235.06154	1.9
241.01396	2.0
245.08998	0.9
282.06448	1.1
297.08844	2.0
318.70047	0.7
329.11389	1.4
331.17896	0.8
332.31940	0.7
349.14954	1.1
353.08734	14.9
354.09177	0.9
355.10336	12.6
356.10443	0.9
359.08926	0.8
391.11627	1.1
391.15918	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59262	4.4
59.01106	7.6
59.01377	100.0
59.96436	4.5
69.68719	25.7
106.57686	4.5
119.14261	4.9
135.50508	5.1
148.91553	4.8
197.29657	5.0
255.23193	5.1
274.20947	6.0
389.19635	5.6
389.73273	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	389.2179
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
51.29710	0.5
55.01878	4.0
57.03455	3.4
58.00606	4.1
59.01383	100.0
59.27231	0.6
60.01734	1.0
69.50777	1.2
69.51173	3.9
71.01384	82.0
71.05006	0.7
72.01729	1.7
72.99301	4.6
73.02950	12.4
80.10403	0.6
83.01400	8.0
85.02956	24.8
87.00893	4.3
89.02450	72.3
90.02756	1.1
95.01397	5.6
97.02933	1.2
99.00884	5.8
101.02449	55.6
102.02744	2.2
111.00882	0.9
113.02460	32.0
114.02725	0.9
119.03513	31.9
125.02451	1.5
131.03525	3.2
135.71106	0.6
143.03543	6.1
149.04489	2.7
155.10715	0.9
159.03009	5.1
160.77713	0.6
161.04565	27.2
177.05798	0.7
179.05637	8.2
180.05786	0.7
209.15236	0.8
225.14935	0.6
227.16550	8.9
251.15181	0.6
295.11572	0.7
389.21802	18.2
390.21594	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	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.84247	0.3
52.45919	0.3
57.03442	1.2
58.00602	0.5
59.01379	7.0
61.43551	0.3
67.64047	0.3
69.03451	0.4
69.44694	2.5
71.01372	4.2
83.05062	0.4
85.02950	1.6
89.02446	2.4
95.01389	0.6
97.06550	0.5
101.02425	1.8
111.08145	1.7
113.02454	3.6
119.03540	0.9
132.44321	0.3
137.62459	0.3
143.03557	0.3
161.04524	0.7
165.12846	25.4
166.13112	1.4
167.42738	0.3
179.05573	0.7
183.13896	88.7
184.14235	6.5
191.10854	0.4
195.14015	0.3
197.15479	2.1
207.13902	1.8
209.11807	3.3
210.12051	0.4
220.12192	0.3
225.14896	1.6
227.12874	100.0
228.13196	7.8
232.80307	0.3
251.12831	2.9
269.13928	1.8
290.19901	0.3
293.13925	0.5
389.18045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.82383	0.4
50.84228	0.4
56.86031	0.4
57.03452	1.5
59.01383	9.1
69.50466	2.6
71.01383	4.8
73.02965	1.0
79.94530	0.4
80.54361	0.4
85.02957	2.4
89.02448	4.7
95.01403	0.7
101.02462	3.1
102.18510	0.4
105.26391	0.4
111.08167	1.8
112.69471	0.5
113.02467	6.1
119.03519	1.4
121.87528	0.4
151.63773	0.4
153.71046	0.4
161.04547	1.5
165.12859	24.1
166.13251	1.6
179.05527	0.8
181.12247	0.6
183.13908	76.0
184.14238	5.2
197.15465	1.9
207.13872	2.1
209.11806	3.0
225.14995	1.3
227.12897	100.0
228.13231	8.0
235.63213	0.4
251.12894	5.1
252.13249	0.4
257.17523	2.2
263.12778	0.7
269.14011	3.2
293.14032	1.0
295.34241	0.5
329.16058	0.5
364.25787	0.5
389.18073	1.7
389.25690	0.7
390.19211	0.8
390.24152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
58.02976	0.8
59.01386	100.0
60.01729	1.5
69.35812	2.0
69.36222	4.2
71.01392	5.5
73.02975	1.3
74.02494	2.8
84.35427	0.7
85.02969	2.5
86.02481	1.2
87.00892	0.9
89.02460	1.0
92.72701	0.8
98.20741	0.9
99.05679	1.7
99.92621	0.9
100.60314	0.7
101.02476	2.9
113.02490	2.2
122.03764	1.8
123.67107	0.7
127.05190	1.1
128.03545	7.2
128.04375	1.1
135.04561	1.2
137.02507	2.2
143.04643	9.5
146.04568	0.8
152.04822	17.1
152.05962	1.3
153.05312	1.1
159.02966	0.8
160.00818	2.9
161.04591	5.9
167.07167	25.9
168.07506	1.6
175.06192	1.3
177.03445	1.3
179.04651	1.9
210.08925	2.1
226.06445	3.8
227.07098	1.8
249.44330	0.7
251.06895	0.8
254.07951	2.5
257.63278	0.8
272.08817	4.2
285.13123	0.9
302.84009	0.9
306.07748	8.7
337.78284	0.9
389.10165	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76819	1.3
59.01372	1.6
61.98834	100.0
65.51738	1.3
73.75391	1.3
82.43355	1.3
108.86060	1.4
135.04506	4.0
179.03503	1.8
228.82416	1.4
228.98706	1.4
272.15985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28286	0.7
56.32575	0.7
57.03429	1.4
59.01381	18.7
60.01720	0.9
62.93278	0.7
67.01887	2.4
69.03431	1.1
70.27075	0.7
70.64406	1.4
71.01385	12.8
72.01714	1.0
73.02946	3.0
81.03454	0.7
85.02950	10.7
87.00890	3.1
89.02448	7.1
90.02789	0.8
93.03464	16.7
95.01389	1.2
99.00900	0.9
101.02451	7.0
107.05042	1.5
109.02946	1.2
111.04511	2.6
113.02422	4.2
119.03514	2.7
119.05937	0.8
127.04018	1.5
134.03749	0.7
134.04771	0.9
135.04530	20.3
136.04829	0.9
137.02461	1.3
155.03467	1.7
155.10789	1.2
159.03000	1.0
161.02454	3.2
161.04556	3.8
173.04553	46.6
174.04936	1.7
179.03490	6.5
191.05618	100.0
192.05965	4.0
227.13043	0.8
227.16492	3.4
342.02881	0.7
353.08789	23.5
354.09030	3.1
389.06293	4.5
389.17505	1.4
389.22079	1.6
390.06970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65503	0.5
59.01384	3.7
67.75294	0.4
69.73580	2.7
70.28866	0.5
70.73103	0.4
71.01373	2.3
80.87667	0.5
83.05007	0.9
85.02938	1.5
87.00879	0.8
89.02457	1.1
91.05553	1.1
93.03444	3.1
101.02461	1.1
104.12110	0.5
107.05027	4.4
111.04499	2.6
113.02458	1.0
117.03458	0.5
117.63519	0.5
128.12160	0.5
133.02951	0.7
134.03723	2.5
135.04524	100.0
135.95767	0.6
136.04869	4.3
137.02477	1.0
143.03416	0.6
155.03528	1.9
161.02484	0.8
171.37535	0.5
173.04533	9.1
179.03493	26.8
180.03862	1.7
191.05608	18.6
192.05981	0.7
197.88358	0.5
246.80585	0.5
271.24191	0.5
353.08740	20.9
354.09149	1.9
389.06418	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	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65475	1.1
52.10229	1.3
59.01368	3.0
61.98834	100.0
62.22934	1.0
63.26649	1.1
71.01380	1.3
71.08611	2.3
78.77648	1.2
109.36195	1.1
114.58385	1.0
145.61482	1.1
157.80667	1.0
164.89050	1.1
201.48343	1.1
388.10117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01113	1.1
59.01386	14.1
61.98823	1.4
67.01910	1.2
68.99815	2.6
69.03476	1.8
69.86458	3.5
71.01384	17.1
72.99301	5.6
73.02944	2.7
75.00877	13.3
78.95900	2.6
80.19842	1.0
81.03452	1.5
82.39416	0.9
83.01387	1.0
84.75669	0.9
85.02951	15.4
87.00873	4.3
89.02455	6.0
91.03999	1.1
93.03445	1.4
94.02988	100.0
95.01396	4.7
95.03316	3.1
96.95987	1.0
98.20564	1.4
99.00900	7.3
101.02429	1.1
102.05624	1.0
103.00375	1.6
105.01617	1.1
109.02954	1.5
111.00888	1.0
113.02465	15.7
117.01909	2.4
128.03546	2.9
138.01976	73.9
139.02325	3.6
151.04010	2.0
155.03496	1.0
175.02449	1.2
191.05547	1.3
212.05603	6.1
231.05054	3.3
231.24622	1.0
249.06158	77.0
250.06517	4.4
267.07333	2.2
290.82761	1.0
317.83542	1.0
326.08978	1.1
328.06863	1.1
344.08054	1.7
346.05579	2.2
370.07986	3.3
388.08871	68.9
389.09277	7.3
395.48914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.2
57.03450	8.3
58.00596	3.4
59.01381	95.1
60.01725	1.0
65.37174	0.6
68.99810	1.7
69.03452	1.0
71.01385	100.0
71.05016	1.4
72.01717	1.7
72.99310	5.6
73.02951	28.0
75.00878	2.0
81.03464	1.1
83.01394	14.1
83.05029	1.8
84.02173	1.0
85.02956	43.9
85.06611	1.6
86.00138	0.9
87.00876	10.3
89.02449	47.7
90.02779	1.0
95.01383	7.6
97.02962	2.1
97.33417	0.6
99.00881	12.4
99.04522	1.0
101.02445	80.9
101.06084	1.0
102.02772	1.8
103.00417	1.1
109.06597	1.0
111.00890	1.4
112.98827	2.9
113.02452	43.1
114.02795	1.1
119.03512	22.8
120.03860	0.9
121.06696	0.7
123.04533	0.9
125.02452	2.1
127.07625	1.8
129.01958	2.3
131.03496	2.5
137.09761	1.0
141.02083	0.7
142.38527	0.7
143.03487	5.7
149.04515	1.9
149.13309	0.8
153.09206	5.9
153.12793	0.9
159.02983	6.1
161.04558	37.3
162.04840	1.1
162.97304	0.7
163.11324	3.5
165.09286	0.8
177.01978	1.1
179.05583	4.0
181.12357	1.8
189.02167	1.0
189.12891	2.6
193.12402	2.3
195.13899	2.4
205.03444	1.0
207.13913	3.2
218.01581	0.7
225.14961	26.9
226.15327	1.6
237.14981	6.6
255.16010	48.7
256.16312	3.9
311.10425	1.0
324.57257	0.8
343.07248	1.8
356.07843	0.9
369.13669	0.8
387.20264	83.3
388.11243	0.9
388.20636	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.9
57.03454	7.5
58.00601	2.8
59.01384	68.0
60.01706	0.8
61.98832	1.1
64.85026	0.6
69.03473	0.9
71.01388	58.0
71.05016	1.0
72.01750	0.6
72.99307	3.7
73.02952	11.9
75.00858	1.0
83.01389	7.6
84.01730	0.6
85.02955	20.9
87.00876	3.0
89.02454	40.0
90.02806	0.9
95.01384	4.5
96.95994	1.7
97.02950	1.1
99.00868	5.1
101.02450	41.7
102.02780	0.9
109.06611	1.0
111.00874	0.9
113.02455	22.6
114.02798	1.0
119.03515	19.4
123.04535	1.1
123.08173	1.3
125.02475	1.8
125.09727	0.6
129.02011	0.8
131.03522	1.5
135.04535	0.8
135.59761	0.6
137.09723	4.0
143.03503	2.3
149.04608	0.9
151.07718	0.7
151.11304	2.1
152.08414	0.8
153.09218	1.8
153.12848	1.9
159.03014	2.7
161.04576	11.4
163.11279	1.9
167.03487	0.8
179.05614	2.3
179.14412	0.9
181.12349	1.7
195.13948	3.7
197.15460	3.9
203.63315	0.6
207.13963	4.5
225.14973	41.1
226.15317	3.1
241.67328	0.6
255.14989	0.7
328.10394	0.7
387.20264	100.0
388.20642	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	387.2026
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
54.80962	1.2
55.01880	5.5
57.03435	4.2
58.00595	2.8
59.01382	60.9
64.65333	1.3
68.99837	1.3
69.41056	8.6
71.01383	72.2
71.05004	2.9
71.71647	1.1
72.99303	3.3
73.02557	1.5
73.02949	20.7
75.00855	1.2
83.01395	8.2
85.02956	30.6
87.00850	6.3
89.02448	34.4
92.30577	1.1
95.01390	4.7
96.96007	3.3
97.02928	1.4
98.19911	2.6
99.00900	8.0
101.02448	60.1
102.02744	1.3
104.99638	1.0
111.00864	1.5
113.02452	29.7
114.02718	1.3
119.03516	17.0
123.08089	1.4
125.02441	2.5
126.24763	1.1
129.01938	1.8
131.03523	2.1
143.03490	4.4
143.04503	1.1
149.04558	1.5
151.03987	1.5
151.11395	1.4
153.09239	2.1
159.02960	5.3
161.04561	18.9
179.05608	3.7
181.12288	1.5
195.13875	1.4
207.13898	5.0
225.14923	11.5
237.15015	1.4
255.16017	11.1
256.16418	1.7
387.20218	100.0
388.20505	11.4
404.67719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03445	5.9
58.00590	1.6
59.01378	34.7
60.01698	0.4
69.03453	0.7
69.23224	2.3
69.23647	0.7
71.01382	50.8
71.05015	2.3
71.47060	0.3
72.01716	0.8
72.99304	1.9
73.02946	11.1
75.00865	0.7
81.03458	0.9
83.01392	4.2
85.02950	17.6
86.03298	0.4
87.00862	2.0
88.27855	0.3
89.02444	23.7
93.03474	0.7
95.01389	3.5
95.05022	2.1
97.02946	3.8
99.00879	4.5
99.01465	0.5
99.04520	0.6
99.08147	1.0
101.02443	28.4
102.02787	1.0
109.02919	0.4
109.06596	2.2
111.04523	1.5
113.02453	21.0
113.06041	0.8
113.09733	0.6
114.02769	0.8
119.03499	7.5
121.06583	0.4
122.03716	0.6
123.08172	1.4
125.02439	1.2
125.06097	0.4
129.01921	0.6
131.03499	0.8
135.08148	0.9
136.05348	0.7
137.02425	0.7
137.06046	0.9
137.09747	2.2
138.06870	27.6
139.07268	1.1
143.03493	2.5
149.04591	0.5
149.09761	0.5
150.06863	0.6
151.07628	0.7
152.08380	0.4
153.01953	0.8
153.09210	66.1
154.09550	4.1
155.10747	0.8
159.02997	4.3
161.04550	20.7
162.04971	0.7
163.11287	1.0
165.12837	1.0
168.04280	0.9
179.05595	1.9
183.06612	0.4
189.12741	0.4
192.11473	0.5
205.03496	0.4
207.13878	5.8
208.14180	0.3
225.14952	100.0
226.15286	8.3
297.04218	0.4
369.06448	0.4
387.12546	0.9
387.20212	5.1
388.20456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
57.03197	0.4
57.03456	5.8
58.00604	4.3
59.01384	100.0
59.51990	0.4
60.01707	1.1
69.03444	0.5
69.18546	1.1
69.18968	2.7
71.01387	83.7
72.01715	1.6
72.99309	4.2
73.02953	13.4
75.00871	0.8
82.19164	0.4
83.01389	9.3
84.02161	0.4
85.02956	27.4
86.03288	0.5
87.00870	4.5
87.78325	0.4
89.02451	71.2
90.02796	1.0
91.46339	0.4
95.01382	6.8
97.02962	1.4
98.19883	0.8
99.00890	5.9
101.02452	61.9
102.02791	1.8
109.02946	0.5
109.06579	0.7
111.00877	0.9
113.02458	35.4
113.89118	0.4
114.02785	1.3
119.03513	31.9
120.03852	0.8
123.08195	1.4
125.02456	1.5
125.09750	0.5
126.91376	0.4
129.01956	1.1
131.03523	3.0
133.02997	0.6
135.08134	0.6
137.09627	0.4
143.03505	5.3
149.04590	2.0
159.02997	4.4
161.04564	24.6
162.04910	0.7
163.11377	0.5
179.05615	7.4
180.06052	0.4
181.12260	0.5
195.13913	4.3
205.03592	0.6
225.14972	9.3
226.15433	0.6
258.10016	0.5
266.03851	0.5
285.03989	0.7
297.04120	0.8
299.05515	0.6
327.05078	1.4
357.06204	1.5
369.06131	0.8
387.07104	1.5
387.20294	32.7
388.10321	0.4
388.20755	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43196	0.6
57.03442	2.1
59.01382	25.0
59.78704	0.8
69.03460	0.9
69.23994	6.0
71.01384	15.7
71.05015	1.2
72.99308	1.3
73.02948	4.5
75.80303	0.6
83.01381	3.0
83.05025	1.2
84.99328	0.7
85.02953	7.0
87.00880	7.0
88.31838	0.6
89.02444	7.2
95.01411	1.3
99.00867	2.4
101.02453	12.5
101.06055	1.9
103.00391	1.7
109.06582	1.6
111.08144	0.6
112.98815	4.7
113.02452	7.0
119.03512	2.7
123.04557	0.7
125.09660	1.1
127.07654	7.0
131.67435	0.7
137.09717	0.7
143.03551	0.7
149.00905	1.3
149.13333	2.5
153.09213	9.4
155.07094	1.3
159.02979	1.8
161.04552	5.1
163.11337	0.9
169.08702	2.7
170.21622	0.7
175.14909	0.8
189.02002	0.9
191.02644	0.7
193.12251	4.4
219.13821	1.4
225.14873	3.7
237.14984	11.8
238.15288	1.6
255.16022	100.0
256.16348	9.1
315.08902	1.6
343.07214	1.4
387.11133	1.7
387.16336	0.9
387.20340	8.2
388.20685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40122	0.6
55.01872	0.7
57.03450	9.1
58.00597	0.7
59.01384	37.0
61.98821	0.9
69.03439	1.4
69.37511	4.8
71.01004	1.2
71.01387	16.7
71.05013	2.1
72.99309	1.6
73.02961	3.8
79.08107	0.6
83.01387	1.4
85.02955	6.0
85.06569	1.1
87.00884	10.1
89.02452	6.7
93.03452	0.6
94.19154	0.6
95.01388	1.0
95.50741	0.7
96.96034	1.0
99.00880	1.2
99.72578	0.6
101.02460	9.7
103.00384	3.2
109.02948	1.4
109.06590	0.9
111.08117	1.0
112.98820	6.6
113.02458	5.9
115.04021	7.0
119.03521	3.7
121.10229	3.0
125.02469	0.9
127.07669	2.2
129.05554	1.5
130.99869	1.0
133.02975	3.3
135.11790	1.8
149.00926	6.2
153.09183	3.5
161.02470	1.3
161.04570	4.5
163.00372	1.7
165.09132	1.3
173.67345	0.6
175.14896	1.0
177.12883	3.9
179.10806	3.4
183.10266	2.6
183.13991	0.7
193.16058	0.9
195.13910	2.4
197.11583	0.7
207.13867	2.2
225.05629	0.9
225.14943	3.0
237.14914	8.1
255.16034	100.0
256.16351	9.2
269.04691	1.2
273.19156	0.7
280.12607	0.7
297.04065	12.7
298.04337	1.2
311.10178	0.9
315.08969	1.0
328.11380	0.7
355.09265	0.7
387.16449	2.8
387.20551	4.1
387.24216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.00575	1.4
59.01381	85.8
60.01697	1.1
71.01383	19.1
72.01765	0.9
72.99306	2.2
78.95490	0.7
78.95886	4.1
80.64870	0.7
82.43909	0.8
83.01383	0.9
85.02959	4.0
86.66634	0.7
89.02447	17.2
89.64768	0.8
91.41472	0.8
95.01389	1.4
96.96004	2.0
96.96977	8.6
97.24963	0.7
101.02441	12.3
101.19629	0.8
113.02447	7.0
119.03487	7.0
131.03432	0.9
145.10396	1.0
149.02496	0.7
161.04547	0.8
163.11319	5.5
179.05617	1.1
207.10260	13.8
208.10593	1.1
223.06200	0.8
225.06657	1.2
245.30058	0.8
264.89539	0.7
289.07178	1.0
310.45871	0.8
387.16605	100.0
388.16940	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	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.31146	0.8
55.82097	0.7
58.00589	1.5
59.01382	79.6
67.85785	0.8
70.85838	2.3
71.01385	15.4
72.99293	0.8
73.02943	1.2
78.17800	0.8
78.95894	3.8
85.02950	3.5
87.00863	0.9
89.02445	16.3
95.01405	1.4
96.95999	1.3
96.96955	7.0
101.02454	10.2
113.02431	7.0
119.03519	6.0
163.11281	5.4
171.45149	0.9
198.07004	0.8
207.10260	13.2
208.10600	1.1
212.82288	0.8
289.07120	0.7
387.16608	100.0
388.16891	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Renealtin B
Peak:m/z	Relative Intensity
56.65107	0.7
57.03460	2.3
57.67350	0.7
57.82177	0.7
65.51936	0.7
67.01887	0.9
69.03457	0.8
69.36178	3.1
69.36605	2.8
76.88018	0.7
80.02691	0.8
81.03465	2.9
83.01372	3.5
84.76391	0.7
93.03450	1.8
95.01398	1.4
95.05034	4.5
97.02948	10.4
108.02150	1.4
109.02953	33.3
110.03321	1.1
112.75520	0.8
115.00395	1.7
121.02957	4.0
122.03799	1.0
123.04525	20.6
124.04867	0.8
125.02456	17.2
135.04547	2.9
137.02454	10.1
138.03223	1.5
139.04018	5.4
142.68265	0.7
145.03006	1.8
146.03734	2.1
147.04535	1.1
149.02448	6.5
150.03172	1.0
151.04012	11.8
151.05139	1.3
157.06551	1.0
159.04530	2.9
160.05284	1.2
161.02449	1.9
161.06090	7.0
162.03197	2.3
163.04018	2.2
164.01140	4.0
164.58452	1.0
165.01920	5.1
167.03514	2.1
167.97607	0.9
172.16005	0.7
175.04001	3.3
175.07655	2.4
177.05569	1.6
179.03493	7.6
179.07143	2.7
184.05215	0.9
185.06059	1.4
187.04060	6.4
188.04781	6.0
189.42709	0.7
191.07129	1.7
201.05544	1.1
202.06352	3.4
203.07133	18.2
205.05072	13.1
206.05383	1.5
217.08737	0.8
221.08228	4.0
227.07147	2.6
230.05849	1.2
231.03012	1.4
233.08199	1.4
245.08170	22.4
246.08492	2.0
247.06157	2.2
271.06125	1.2
289.07193	100.0
290.07486	10.4
299.12860	2.1
343.11847	14.7
344.12262	1.6
369.13144	0.9
387.14490	42.1
388.14926	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	387.1448
Annotation	Renealtin B
Peak:m/z	Relative Intensity
57.03445	2.3
59.01383	4.3
69.03445	0.7
71.01364	1.3
71.52744	0.3
71.65083	0.3
73.02943	0.3
78.57033	0.3
80.02685	0.4
81.03457	3.6
83.01380	4.9
85.02945	1.3
87.00861	0.9
89.02425	1.1
93.03477	2.0
95.01380	1.1
95.05030	4.2
97.02943	8.7
99.04513	0.6
101.02434	1.2
105.03455	0.4
107.05042	0.4
107.74435	0.4
108.02185	0.8
108.04538	0.3
109.02948	28.9
110.03316	0.9
111.04520	0.7
113.02450	0.7
117.03467	0.5
118.98708	0.3
119.03522	0.4
121.02968	4.5
122.03714	1.2
123.04527	19.6
123.08156	0.4
124.04864	0.4
125.02442	18.2
126.02752	0.6
133.02946	0.8
135.04515	2.8
135.08142	0.9
137.02448	10.8
137.06078	0.5
138.03189	0.9
139.04025	5.2
143.04973	0.6
145.02930	2.0
146.03763	2.2
147.04486	0.9
147.08093	0.5
149.02444	7.2
150.03174	1.2
151.04005	10.6
152.04330	0.5
157.06525	0.6
159.04510	3.5
160.05264	2.2
161.02423	1.2
161.04698	0.6
161.06068	8.0
162.03242	2.9
162.06357	0.4
163.04005	2.5
164.01157	3.6
164.04544	0.4
164.83080	0.3
165.01947	4.8
166.02614	1.2
167.03493	2.1
173.05972	0.9
174.03258	0.9
174.12640	0.3
175.04025	2.8
175.07620	2.8
177.05551	1.5
177.09233	0.4
179.03506	7.2
179.07054	2.4
180.04071	0.4
181.12415	0.5
184.05278	0.4
185.06068	1.4
187.03995	6.3
188.04779	5.9
189.09103	0.4
190.02682	0.3
191.07106	1.4
193.08644	0.5
199.07620	1.1
201.05482	0.9
202.06332	3.2
203.07133	19.1
204.07501	1.1
205.05061	13.6
206.05435	0.5
212.04776	1.2
217.08649	1.0
218.05801	0.4
219.06636	0.9
221.08127	4.0
222.08546	0.4
225.05466	0.4
225.11327	0.6
227.07085	2.5
228.07324	0.4
229.05078	0.5
229.76804	0.3
230.05794	1.2
231.02971	1.3
232.68887	0.4
233.08138	0.9
245.08168	23.3
246.08591	1.7
247.06061	3.1
255.15939	1.6
257.11777	0.7
271.06073	1.3
275.12827	0.8
284.03345	0.4
289.07172	100.0
290.07516	9.3
297.04004	0.8
299.05630	0.6
299.12900	2.3
327.05090	1.2
343.11838	13.9
343.15344	0.7
344.12149	1.8
348.24237	0.4
355.04483	1.7
369.13385	1.4
387.14487	42.9
388.14798	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	387.1447
Annotation	Renealtin A
Peak:m/z	Relative Intensity
50.93772	1.2
53.32051	1.7
59.01384	8.3
61.98831	2.5
69.21188	11.2
69.21597	2.1
71.01370	3.8
72.02540	1.4
73.02951	1.8
79.90327	1.3
81.03436	1.8
83.01391	1.7
85.02924	1.6
86.34214	1.3
89.02441	2.6
93.03475	3.9
95.05036	7.3
97.02959	1.7
101.02452	3.5
107.05045	2.0
108.02202	3.3
109.02949	61.7
110.03251	1.7
113.02483	1.7
119.03509	1.6
121.02946	4.0
122.03718	3.7
123.04530	72.1
124.04886	2.5
135.04529	3.8
137.02428	18.1
145.02951	4.1
146.03712	1.5
147.04553	1.5
149.02455	17.6
149.05960	1.7
150.03197	2.1
151.04008	28.2
163.04022	15.0
165.05492	1.5
176.01141	3.6
177.01927	31.5
178.02536	2.0
179.03560	1.8
191.03473	7.0
191.65361	1.5
203.07137	3.1
205.05046	2.5
205.08723	1.6
215.07144	3.2
223.09747	18.6
225.14923	2.1
231.06578	2.3
235.09685	7.0
236.50307	1.5
263.09222	66.5
264.09586	5.8
270.54962	1.6
277.10785	6.7
301.07199	3.4
315.08774	5.5
343.15509	2.0
369.13330	2.7
387.14493	100.0
387.19180	3.7
388.14862	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1447
Annotation	Renealtin A
Peak:m/z	Relative Intensity
57.03448	2.4
59.01381	6.2
61.98832	3.8
66.39515	1.0
71.01391	4.4
71.53207	1.5
73.07829	1.2
81.03442	3.3
81.41792	1.3
83.01392	5.3
85.02937	1.7
87.00842	1.5
89.02459	2.7
93.03465	1.3
95.01451	1.4
95.05038	4.2
97.02956	8.3
101.02455	3.5
103.28699	1.2
107.65749	1.4
109.02954	29.0
121.02937	5.5
122.13634	1.2
123.04534	17.5
125.02459	21.8
135.04561	2.8
137.02449	12.4
139.04010	4.1
145.02951	1.6
146.03795	2.1
149.02467	5.9
151.04013	9.9
154.69177	1.3
159.04549	3.4
160.05237	1.7
161.02454	2.1
161.04689	1.2
161.06090	6.8
162.03265	2.8
163.04033	1.8
164.01126	4.0
165.01935	4.2
167.03452	2.5
175.04065	2.1
175.07715	1.6
177.05545	2.4
179.03517	6.5
179.07127	2.3
185.05994	1.5
187.04001	5.7
188.04774	5.4
191.07149	2.5
202.06316	2.4
203.03452	1.5
203.07140	19.0
204.07558	1.3
205.05090	14.9
212.04744	1.6
217.08638	1.7
221.08212	3.9
227.07040	2.3
227.75362	1.3
231.03004	2.1
233.08215	1.8
235.09662	2.4
245.08176	21.0
246.08492	1.4
247.06178	2.0
275.13058	1.4
289.07181	100.0
290.07605	6.9
299.12973	1.9
343.11942	11.6
369.13345	2.4
387.14505	45.2
387.19531	1.7
388.10236	1.8
388.14758	7.3
389.66211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
58.00590	1.2
59.01380	18.1
67.01899	1.2
68.99815	2.1
69.03459	1.6
71.01384	24.3
71.08318	1.7
72.99320	4.4
73.02951	2.8
75.00870	18.2
81.03442	1.3
83.01373	1.4
85.02948	27.2
86.03288	1.4
87.00874	7.5
89.02451	5.8
91.03985	1.5
93.03460	49.9
94.03796	1.4
95.01383	6.7
99.00880	12.7
103.00372	1.4
109.02969	0.9
111.00868	1.6
111.04510	1.6
112.01725	1.0
113.02451	29.4
115.00374	2.9
117.01937	3.3
122.10946	0.9
129.01935	2.6
136.01633	1.1
137.02448	100.0
138.02769	3.6
147.13477	0.9
175.02513	2.4
207.05043	1.4
211.06148	11.4
230.29849	0.9
231.05173	2.5
234.04529	0.9
249.06152	59.8
250.06474	2.2
264.90686	0.9
267.07202	56.6
268.07578	4.1
325.09164	1.1
369.08371	2.2
387.09314	62.5
388.09689	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	387.1448
Annotation	Renealtin A
Peak:m/z	Relative Intensity
59.01373	5.6
61.98823	2.7
71.01388	3.3
71.52322	1.8
83.01362	2.5
85.02933	2.8
89.02454	3.0
93.03470	1.9
95.05012	8.4
96.96057	1.6
97.02969	1.4
101.02404	3.0
106.62076	1.3
108.02165	2.6
109.02953	67.2
110.03266	3.8
113.02509	1.7
117.03429	2.4
121.02969	2.4
122.03704	3.3
123.04524	81.4
124.04845	2.6
135.04547	5.9
137.02448	27.0
139.04073	2.4
139.05174	1.3
140.25784	1.4
145.02928	4.8
149.02425	20.7
150.03203	4.7
151.04016	30.5
153.09302	1.5
163.04007	10.6
176.01154	5.4
177.01947	34.5
179.03523	1.9
191.03560	9.4
193.05043	2.4
203.07147	2.2
215.07176	3.3
223.09731	23.1
224.09952	2.1
231.06602	2.7
235.09770	7.0
236.10194	1.5
237.11299	1.9
263.09235	76.4
264.09586	5.9
277.10818	5.9
329.38864	1.9
380.57419	1.4
387.14481	100.0
387.19547	3.7
388.14926	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	385.187
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	2.8
55.30839	0.6
57.03456	6.3
58.00587	0.9
59.01380	100.0
60.01708	1.0
61.98856	0.9
65.00343	0.7
69.03458	2.8
69.43594	4.2
71.01382	35.4
71.70631	0.7
72.99318	2.8
73.02948	7.6
75.00870	1.7
83.01395	4.2
83.05045	0.9
85.02952	16.2
86.00127	0.8
87.00879	4.8
87.04536	1.0
89.02447	15.6
89.03007	0.8
93.03497	1.2
95.01387	2.5
95.05035	0.7
97.02998	0.9
99.00867	4.3
101.02438	19.6
107.05049	1.3
109.02994	1.2
111.08208	1.6
113.02455	14.7
119.03509	6.2
125.02406	1.4
129.01979	1.2
137.09764	1.9
147.08282	0.8
151.11359	1.2
153.09293	0.9
153.12955	1.1
159.02997	1.6
161.04552	4.4
161.09773	0.7
163.11281	12.8
163.12529	1.0
164.11626	0.9
165.09227	3.1
171.08174	0.9
177.01970	2.9
177.09273	1.3
181.12338	27.6
182.12646	1.4
187.11278	3.8
189.12865	4.8
190.09987	5.5
204.11481	1.4
205.12334	8.8
205.46983	0.8
217.01515	1.3
223.09950	0.8
223.13474	2.7
235.13554	0.7
241.59843	0.7
247.13515	2.0
253.14381	3.6
277.97836	0.7
283.15628	0.7
307.34796	0.8
311.05597	1.1
341.19601	1.1
385.14145	1.3
385.18549	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71951	0.8
59.01366	1.0
61.02910	1.0
61.98831	100.0
65.78327	0.7
73.62907	0.8
78.18065	0.8
97.22494	0.7
105.04321	0.8
130.08734	3.8
167.28008	0.8
209.96684	0.9
259.47873	1.1
322.20187	2.2
359.45914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81255	0.3
57.03439	0.5
59.01103	0.4
59.01379	4.2
61.98815	0.4
68.63856	0.3
69.03432	0.3
69.44448	2.1
69.85912	0.3
71.01385	2.3
72.99319	0.4
73.02937	0.4
85.02947	1.3
87.00884	0.4
89.02439	1.5
89.22080	0.3
91.58208	0.3
93.03470	0.5
94.63654	0.3
96.96102	0.3
98.19903	0.6
101.02462	1.6
101.03019	0.3
108.02206	0.6
109.02971	0.4
110.19504	0.3
111.04510	0.6
113.02449	1.2
119.03499	0.7
119.05008	0.3
121.02927	0.5
122.02902	0.6
122.03745	8.2
124.01621	0.4
127.07652	1.0
135.04517	0.7
137.02434	0.9
137.06058	1.7
154.02733	1.2
161.04620	0.4
163.07625	0.5
165.09283	0.4
174.01656	0.6
179.07091	0.3
181.08699	100.0
182.09030	6.4
189.01883	0.3
205.12430	0.4
213.14723	0.3
223.13368	0.5
233.91818	0.3
244.23718	0.3
253.14424	5.0
254.14830	0.6
325.12805	0.8
326.01318	0.3
341.06503	0.6
343.13995	0.5
385.11313	0.9
385.15219	0.6
385.19095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.01110	0.9
59.01385	12.2
66.71538	0.5
69.48569	0.9
69.48972	3.8
71.01385	2.3
72.99316	1.3
74.68502	0.7
79.01843	0.7
81.03453	1.2
83.05038	6.3
84.99300	0.9
85.02959	1.4
87.00893	8.8
89.02494	0.7
95.05002	0.6
97.02939	0.9
97.06586	3.8
101.02406	0.7
103.00369	3.3
109.02944	1.0
109.06590	4.5
111.04520	3.3
111.08123	1.1
112.98831	7.5
113.02446	0.7
123.08166	1.2
125.06095	1.6
127.07668	19.3
149.00890	1.4
149.09721	0.6
151.04007	0.7
164.03574	0.9
165.12865	2.7
171.10211	0.9
173.13454	0.7
177.02022	0.8
180.04257	1.1
188.05046	0.5
189.02011	1.8
191.14400	3.2
193.12350	1.4
195.10286	1.8
209.11877	1.4
217.01421	0.8
235.13440	3.8
236.13675	0.6
253.14464	100.0
254.14815	8.1
277.17819	0.6
341.06702	1.9
385.14902	1.6
406.88684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94889	1.0
57.63783	1.1
59.01386	6.1
66.86998	1.3
68.75351	1.1
69.35138	8.5
71.01376	4.1
72.99303	1.3
73.02950	4.4
74.66643	1.1
75.00868	3.5
83.01382	3.1
85.02950	7.5
87.00869	5.1
96.47182	1.5
101.02442	2.0
113.02418	1.6
115.00368	8.5
135.04521	1.5
139.20457	1.3
146.05566	1.3
174.01689	73.1
175.00349	1.4
175.02354	8.9
190.02609	3.2
194.05804	2.4
205.05078	3.4
209.08194	4.4
239.09358	2.2
265.07355	1.6
267.08676	4.4
295.08194	12.0
325.09296	14.8
326.09534	1.6
341.06964	1.8
385.11374	100.0
386.11713	10.0
399.53644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03542	1.2
57.03445	3.3
59.01384	19.1
61.98814	4.8
70.68024	1.4
71.01067	1.5
71.01392	17.4
71.51988	1.8
72.99316	2.6
73.02939	1.9
79.85040	1.2
80.51684	1.3
83.01384	4.9
85.02946	9.4
87.00877	47.5
96.96001	2.5
103.00362	1.8
111.00882	6.7
111.08164	1.7
112.98810	3.3
113.02461	7.0
115.00374	75.6
120.17344	1.3
125.24848	1.2
129.01942	1.5
139.00392	11.6
144.29507	1.6
157.01436	25.9
158.01816	1.9
165.01874	2.4
165.12837	23.1
166.13170	2.4
175.02477	100.0
176.02797	3.0
183.13905	73.9
184.14255	5.2
209.11873	2.6
227.12886	51.2
228.13260	2.5
242.40266	1.6
253.18092	32.6
254.18413	2.1
298.54428	1.3
367.13803	3.3
385.15057	47.1
386.15387	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27526	0.6
59.01106	1.0
59.01378	13.5
60.85142	0.6
61.98830	2.1
69.45850	1.5
69.46262	3.4
71.01384	5.1
75.02500	0.6
85.02957	2.7
89.02446	4.4
94.67014	0.6
101.02454	2.7
113.02486	3.3
119.01385	4.2
119.03482	1.1
121.02939	3.2
129.41479	0.7
133.52119	0.7
135.04495	1.5
137.02441	0.8
147.00859	4.0
149.02440	17.5
151.32619	0.6
152.01157	1.7
152.43947	0.6
163.04021	2.1
164.04796	14.4
165.01929	1.2
165.05220	0.8
173.04536	0.8
174.01672	1.3
175.00360	29.0
176.00702	1.8
179.07153	5.7
189.01891	0.9
190.02710	70.6
191.03099	4.4
193.01402	5.9
205.05048	100.0
206.05434	8.7
208.03749	13.7
209.04094	0.7
217.01312	0.8
221.08157	1.6
223.06114	44.9
224.06441	2.1
232.03827	0.9
247.06108	5.8
265.07193	3.0
295.08130	0.9
325.09274	2.6
385.11411	9.1
386.11444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75515	0.8
55.01872	2.1
57.03453	11.7
59.01384	8.2
69.86200	2.6
71.01380	7.4
72.23295	0.9
72.99313	1.7
75.00870	1.1
83.01386	1.6
84.02159	2.5
85.02957	100.0
86.03281	1.3
87.00877	1.3
89.02460	2.9
93.03436	1.0
98.20584	1.1
103.00367	1.8
107.17522	0.7
111.15169	0.7
117.90051	0.7
119.05007	1.2
127.10339	0.8
129.01941	5.8
133.01416	2.7
134.03737	4.5
135.04546	7.8
135.65300	0.9
142.23293	0.7
147.03008	7.7
173.04543	1.2
179.03502	2.3
189.01894	1.1
191.02005	24.8
191.05560	5.0
193.05042	1.3
209.03049	46.0
210.03384	0.8
327.91229	0.9
353.08722	1.5
385.11331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81563	1.3
55.01866	2.0
55.25729	1.2
57.03448	13.3
59.01381	14.6
64.00560	1.4
71.01377	11.4
71.51205	2.4
72.99303	3.3
73.02942	3.6
75.00871	3.9
83.01375	4.3
84.02166	2.1
85.02950	100.0
87.00866	4.7
89.02445	6.7
93.03468	2.2
99.00874	1.7
101.02435	5.4
103.00390	2.9
109.02923	2.4
111.00851	1.7
113.99540	2.2
115.00383	6.7
121.02968	7.4
123.04514	2.4
129.01978	7.1
133.01430	3.0
134.03754	6.7
135.04501	3.3
147.03014	7.7
147.04483	1.2
149.02437	47.2
150.02811	2.9
150.43040	1.4
151.04050	1.6
152.01115	1.9
158.44331	1.6
163.04002	3.8
164.04791	44.8
167.03520	2.2
173.04552	3.7
174.01688	42.1
175.02373	5.2
179.07135	13.9
184.84375	1.4
187.48436	1.2
189.01941	5.0
190.02748	3.0
191.01967	23.3
191.03589	2.6
191.05605	2.9
193.01401	5.2
193.05048	1.7
196.26645	1.4
205.05038	4.0
208.03743	13.8
209.03012	48.4
209.04924	2.8
209.08083	1.4
210.03409	2.4
217.01469	2.2
217.57672	1.2
223.06126	62.7
224.06433	4.8
239.09166	1.6
245.12497	1.5
295.08154	5.4
325.09341	8.2
341.06631	4.2
385.11377	60.9
385.18732	3.1
386.11807	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87926	0.6
55.01876	1.9
57.03454	13.9
59.01376	8.4
71.01362	3.7
71.09682	1.2
71.10009	0.7
72.99303	1.4
75.00880	0.9
83.01402	1.6
84.01733	0.7
84.02170	3.0
85.02953	100.0
86.03304	2.3
87.00873	1.0
93.03474	0.7
97.48550	0.6
103.00375	1.4
119.05030	2.6
129.01944	4.9
134.03767	5.3
147.02991	9.3
149.02457	1.7
163.02513	0.7
163.04007	2.3
167.03468	0.9
169.59225	0.7
173.04535	1.5
191.00246	1.4
191.01981	25.4
192.02258	1.2
193.05025	3.2
209.03026	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.7
57.03448	12.9
59.01377	17.9
71.01379	12.9
72.99304	4.3
73.02946	2.9
74.23721	1.3
75.00874	2.4
83.01380	2.9
84.02160	2.1
85.02950	100.0
86.03283	2.8
87.00863	4.9
89.02436	6.0
93.03489	2.0
98.19880	3.1
101.02430	5.4
103.00360	2.1
109.02950	2.2
113.02419	1.8
113.99606	1.3
115.00394	5.8
119.03532	1.5
121.02938	5.1
123.04544	2.2
129.01945	7.2
133.01430	5.6
134.03738	4.4
135.04588	1.8
135.54204	1.2
147.02972	7.3
149.02431	36.1
150.02771	1.4
152.01132	2.5
158.00027	1.3
163.03964	1.9
164.03477	2.5
164.04784	30.7
165.05092	1.7
167.03450	1.8
173.04582	3.9
174.01700	35.5
175.02365	5.6
177.01915	2.9
179.03580	1.5
179.07121	10.8
189.01921	4.6
190.02667	3.5
191.01990	23.6
191.05614	2.1
193.01410	3.2
193.05055	2.6
205.05043	3.4
208.03745	12.0
209.03008	47.6
209.08194	3.8
210.03352	1.8
217.01447	2.9
219.02946	1.4
223.06123	43.8
224.06606	2.3
267.08844	1.8
295.08255	4.9
325.09164	8.0
341.06561	5.0
385.11374	55.6
385.18814	2.3
386.11612	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	385.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01380	23.3
60.04844	1.1
71.01394	9.4
71.52866	2.0
72.99297	1.2
73.02955	1.8
74.31155	1.1
83.01373	1.6
85.02959	7.1
87.00871	4.2
89.02431	6.2
90.45374	1.3
91.01903	1.4
93.03461	3.1
95.01349	1.2
95.05042	2.1
97.63960	1.2
101.02445	4.3
103.00374	2.0
108.02204	1.8
109.02956	18.5
110.03297	1.5
111.04523	2.2
112.98823	3.6
113.02467	3.1
115.04025	4.4
117.03461	3.7
119.05015	3.2
119.08686	1.5
121.02976	2.2
122.03678	1.5
123.04528	20.3
131.99519	1.2
133.02957	4.8
135.04539	1.9
145.02969	3.9
147.04512	8.0
149.00879	2.8
149.02411	1.4
149.09689	1.5
150.03255	1.9
151.03983	7.9
151.66135	1.4
155.03471	1.4
159.04486	1.8
161.02423	9.2
161.04494	2.3
162.03357	1.3
162.80763	1.3
163.04065	1.6
165.09187	5.1
167.10782	15.0
173.13300	1.5
176.01149	2.6
177.01926	35.0
178.02304	1.5
179.10814	1.9
187.03983	1.9
189.01932	100.0
190.02618	19.1
191.03523	15.7
198.93602	1.3
201.01997	1.7
203.03468	9.4
205.12320	6.9
216.00642	10.7
217.01419	46.7
218.01888	4.7
219.02945	18.4
223.13289	1.8
231.02963	15.5
232.03520	1.4
233.04384	1.5
235.13397	5.7
253.14442	49.1
254.14737	4.2
308.16611	1.6
323.05469	3.0
341.06650	91.7
342.07062	9.0
342.14944	1.4
385.05661	14.2
385.18912	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	385.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.1
61.98814	2.6
69.18726	7.3
69.19150	8.6
71.01368	3.4
72.05501	1.8
89.02440	3.8
93.03413	1.9
95.05024	3.2
98.20609	3.1
101.42241	1.6
109.02950	28.7
113.02385	1.5
121.02911	3.3
123.04536	19.1
127.25973	2.0
133.02951	4.8
134.03752	2.0
145.02997	2.2
147.04482	4.8
149.02434	2.0
151.03993	10.8
157.85114	1.6
158.69238	1.7
161.02397	3.9
162.03220	4.6
174.01732	4.3
176.01115	1.6
177.01939	44.6
181.08665	7.2
187.03976	5.5
188.04753	4.3
189.00322	3.3
189.01926	49.1
190.02721	18.1
191.03404	4.8
193.85492	1.7
205.12367	2.5
216.00684	9.9
217.01405	17.1
218.02086	3.4
219.02940	9.0
222.01720	2.2
229.08659	4.6
231.02959	4.0
232.03690	1.9
265.05124	1.8
281.04614	19.8
282.04797	2.0
297.07669	13.1
341.06641	100.0
342.06934	10.9
385.05634	6.9
385.11206	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	385.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98927	1.3
56.19617	1.2
59.01378	1.9
62.45262	1.2
62.76022	1.2
67.01897	2.2
70.33188	4.3
71.01375	4.3
85.02948	8.1
89.03972	1.7
93.03458	11.8
95.05036	2.7
99.34630	1.2
103.05568	2.0
109.02956	28.9
111.04507	2.0
117.03469	3.0
119.05030	1.7
121.02921	2.3
123.04524	25.7
133.02945	6.8
135.03513	1.4
135.04523	21.4
137.02426	2.6
145.02914	3.6
147.04535	7.0
149.02454	3.4
150.03250	2.4
151.04045	9.7
155.03432	2.4
161.02444	5.7
162.03226	1.8
173.03143	2.1
173.04553	35.7
176.01161	1.9
177.01933	36.2
178.02283	1.5
179.03517	16.0
189.01930	100.0
190.02667	22.6
191.01941	1.9
191.03462	19.7
191.05557	8.9
192.03842	2.3
203.03522	10.7
209.03012	2.0
216.00624	14.3
217.01405	55.2
218.01831	5.4
219.02997	21.7
231.02979	17.8
233.04315	2.1
314.51767	1.2
323.05545	2.7
341.06638	98.5
342.06894	11.2
353.08835	8.2
368.46371	1.4
385.05746	7.2
385.10660	1.8
385.18741	1.8
386.05975	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	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68722	0.4
57.03448	32.3
58.03801	0.7
59.01376	2.7
61.98822	1.2
63.06876	0.3
67.72247	0.4
70.26006	0.3
70.80745	0.4
70.81068	0.6
71.01385	0.8
87.00868	0.8
89.02428	0.7
93.03440	1.4
95.05047	0.6
101.02406	0.4
109.02951	3.4
113.02474	0.7
121.02953	28.4
122.03279	1.3
130.79047	0.4
135.04477	0.7
143.85001	0.3
158.76892	0.4
161.09724	2.3
164.08414	0.6
177.01929	0.6
177.05684	0.4
179.07132	100.0
180.07486	5.1
180.11143	0.8
207.20134	0.4
219.68951	0.4
300.16153	0.4
383.13300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99931	1.1
55.01889	1.0
57.03429	1.4
59.01378	100.0
60.01697	1.8
64.52148	0.9
70.45036	3.0
71.01380	15.0
72.99332	1.9
73.02931	4.7
74.02477	2.5
74.99082	1.3
78.58024	0.9
83.01399	1.7
85.02924	5.0
87.00872	3.0
87.01402	1.0
89.02448	9.9
95.01394	1.1
98.27776	0.9
99.00863	1.3
101.02447	11.2
112.98796	1.9
113.02448	8.0
119.03489	3.9
119.05054	1.1
119.07135	1.5
133.05074	3.3
134.04729	1.1
144.55611	1.0
161.04555	5.4
162.01991	1.6
168.07207	1.0
178.08672	1.5
179.05701	1.7
180.06601	2.7
203.05682	0.9
222.07654	5.2
249.06113	4.4
251.11357	2.5
263.11386	8.0
276.61594	1.0
281.12415	17.9
282.12808	1.4
297.20209	1.1
323.13388	10.1
324.13763	1.3
383.11163	1.9
383.15823	1.2
384.12955	3.7
397.81119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86767	0.6
55.01881	23.5
59.01382	4.7
61.12161	0.6
61.81478	0.8
61.98814	1.1
71.01375	4.8
72.99302	2.9
73.02955	3.7
83.01390	7.2
85.02954	1.9
85.41000	0.6
87.00896	3.3
89.02448	1.1
96.96006	2.1
99.00880	1.1
101.02460	1.8
104.73757	0.6
105.05238	0.7
109.02979	1.0
111.00884	6.7
111.05805	0.8
111.98062	0.8
112.98803	1.5
113.02486	1.7
117.01946	2.3
123.04562	1.4
127.00425	1.7
129.01936	3.5
154.99869	100.0
156.00194	3.3
161.06033	0.9
165.12856	0.9
168.06458	0.8
169.72935	0.7
173.00948	6.1
183.13901	5.8
206.23297	0.7
219.06598	1.1
221.08232	1.7
227.12878	1.8
229.39388	0.9
231.06859	0.9
259.06256	1.0
307.31610	0.8
341.10843	1.3
345.80298	0.7
383.10995	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	383.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11530	0.5
55.01882	0.6
57.03445	1.4
59.01384	12.1
60.76158	0.5
63.83885	0.6
67.01878	0.6
68.99815	1.3
69.03461	2.5
69.66975	2.6
71.01387	29.6
72.01740	0.8
72.99305	2.7
73.02966	1.9
75.00878	9.4
83.01417	1.4
85.02961	11.9
87.00887	18.1
87.04527	2.0
89.02451	13.6
91.04046	1.1
93.03477	0.9
95.01400	3.1
96.95998	0.5
99.00889	5.4
101.02453	1.3
103.00378	1.5
111.00875	1.1
113.02467	15.0
115.00388	2.1
117.01958	2.0
129.01926	0.8
131.03487	0.6
133.05078	100.0
134.05446	2.6
175.02577	1.0
189.04013	0.7
191.05423	0.7
218.47131	0.6
221.46051	0.6
231.05081	2.1
236.33313	0.6
237.55530	0.6
249.06163	77.7
250.06566	4.5
261.73450	0.5
265.09164	0.5
267.07233	7.5
275.90964	0.5
339.09464	2.0
383.11987	36.8
384.12238	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	382.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22852	1.0
59.01372	4.6
61.98832	100.0
63.34137	1.0
71.01385	2.2
71.44041	1.7
72.69501	1.0
85.02974	1.1
89.02430	1.2
96.96016	1.9
113.02436	2.1
123.80975	1.5
129.10367	3.4
161.04561	1.0
164.07149	2.1
171.11394	3.0
178.30728	0.9
202.06715	1.0
220.09392	1.0
233.16576	1.3
319.16644	10.9
383.11572	1.5
383.16312	1.3
405.53641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0775
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
55.02696	1.1
59.01379	6.6
67.98891	1.3
71.01392	3.0
85.02961	1.9
89.02456	2.3
98.20641	4.0
101.02456	1.2
102.36870	1.2
113.02452	1.9
119.03436	1.4
121.02959	100.0
122.03280	4.0
147.04483	1.6
149.02434	1.5
173.02629	1.7
181.06592	4.8
191.03517	8.6
225.05614	6.8
251.07310	3.3
295.06119	11.7
311.09277	13.0
313.07214	17.9
314.07327	1.7
323.10013	2.3
339.08728	16.6
341.10843	1.3
346.37057	1.4
383.07700	24.4
384.07983	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	383.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18714	0.9
54.97817	1.0
55.13044	0.9
57.03442	2.3
59.01381	18.9
71.01390	35.6
71.17308	1.8
72.01726	1.2
72.99325	6.4
73.02950	1.4
75.00874	8.5
84.04498	0.9
85.02957	28.5
87.00882	11.5
89.02449	9.7
91.04024	1.4
94.51283	0.9
95.01392	5.6
96.96011	1.9
99.00871	5.6
101.02437	2.6
103.00370	2.1
109.02914	1.1
109.10284	1.0
111.00911	1.3
111.31252	0.9
113.02459	32.1
114.02773	1.2
115.00380	17.7
117.01942	2.7
120.72536	0.9
126.05621	3.5
127.05975	1.4
129.01923	3.0
131.03519	0.9
133.01448	19.1
133.05058	3.1
152.91690	1.0
168.04807	1.0
175.02428	1.3
178.44014	1.1
178.94737	2.7
182.05882	0.8
190.96512	1.8
191.05629	41.8
192.05902	2.5
200.88301	1.0
205.04898	0.9
207.05048	2.5
219.06975	1.0
249.06143	9.8
250.93188	7.8
261.04294	1.0
267.07220	100.0
267.47821	0.9
268.07507	4.2
292.94330	2.7
320.93787	2.4
336.93100	1.4
364.92792	6.7
365.07074	3.2
383.08252	24.5
383.12320	1.6
384.08429	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1079
Annotation	Dauricumidine
Peak:m/z	Relative Intensity
50.99777	0.9
52.19749	1.0
55.08899	0.9
58.02975	13.5
59.01376	3.4
61.98810	1.8
62.63646	0.9
67.01862	1.1
70.02978	15.5
71.01398	1.1
71.06750	2.7
72.04554	17.8
74.02479	49.8
83.02515	2.2
84.04546	5.0
85.35593	1.1
86.02512	2.7
87.05621	3.5
91.11494	1.0
96.99927	6.0
97.04083	5.7
98.02482	6.9
98.06120	2.1
99.05650	33.9
110.00776	1.0
110.02467	1.2
111.05632	2.5
112.04031	4.7
113.03604	1.6
114.05621	0.9
123.00646	1.4
123.01503	17.1
123.05650	6.9
124.02296	1.4
125.02850	1.5
125.03559	5.6
126.01975	1.3
126.03817	24.7
135.04497	2.3
135.72310	1.0
137.03026	3.4
138.03842	31.4
138.05473	1.4
140.05374	1.6
141.06706	100.0
142.07042	3.4
143.04619	16.7
145.63680	1.1
152.04233	1.8
152.05405	21.6
153.06789	1.1
156.25195	0.9
162.07465	1.1
164.05441	1.8
167.08202	1.3
173.04514	1.7
174.44476	1.0
177.01958	3.2
178.02278	4.5
178.06964	1.9
179.34596	1.0
185.05685	79.2
186.05998	3.4
194.06436	2.9
219.09673	1.1
225.10426	1.1
235.40466	1.1
251.08804	1.0
256.06619	1.4
263.08408	1.7
276.11758	4.0
294.12808	6.6
295.07639	3.3
315.56906	1.1
325.58032	1.2
338.11795	10.1
364.09674	6.9
382.10767	86.5
383.11200	8.2
390.71307	1.1
392.78229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.3
61.98837	0.9
69.21385	4.1
69.21798	1.7
71.01395	1.5
85.02976	0.7
89.02451	0.8
98.20681	1.5
191.50804	0.7
199.52541	0.6
258.11072	0.7
355.80884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1007
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
59.01390	3.4
61.98828	0.6
70.41460	0.9
70.41876	1.4
71.01386	10.2
73.02969	0.6
75.00896	0.4
75.48923	0.4
83.01422	0.4
85.02956	1.4
87.00898	0.6
89.02455	1.4
92.02571	0.8
92.30467	0.4
100.00420	6.7
101.02448	2.0
105.03464	0.6
107.03650	2.4
107.73338	0.5
111.00864	0.6
113.02453	0.7
115.00386	13.6
116.00801	0.4
119.03604	1.1
119.05041	6.8
127.59690	0.4
133.03989	0.6
134.04739	100.0
135.05247	2.3
135.06763	0.8
137.02458	0.6
147.04544	1.2
148.04074	0.8
149.02477	1.4
160.06325	0.6
161.04590	1.2
162.07861	8.7
163.03989	0.7
176.03545	11.3
176.07108	0.5
177.02086	0.6
177.03818	0.9
188.05789	1.3
191.01755	0.8
191.03513	16.2
201.01895	0.5
206.06836	31.4
207.05132	0.4
207.07133	1.9
219.02995	21.1
220.06151	4.6
221.06502	0.5
226.04314	0.4
231.02904	1.0
232.04756	0.7
249.04091	0.8
250.05832	3.8
251.11392	2.9
263.02094	0.5
266.08990	4.9
292.71768	0.4
323.17325	0.5
324.65344	0.5
332.19565	0.5
333.21158	0.4
339.07211	13.2
347.26093	0.5
382.10156	30.7
383.10400	3.5
383.15561	1.0
383.20419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.9
57.03443	5.3
58.00591	2.5
59.01380	68.9
69.03443	0.9
69.22265	8.7
71.01382	64.1
72.01749	1.0
72.99323	4.1
73.02551	1.7
73.02946	24.0
75.00888	1.4
75.93920	0.9
83.01382	16.3
85.02946	31.2
85.06592	1.2
86.00111	1.4
86.98486	0.9
87.00867	4.7
87.08155	0.9
89.02442	32.6
95.01381	2.5
97.02939	2.5
98.19936	1.6
99.00878	9.9
101.02441	67.6
102.02794	1.4
105.22939	0.8
107.10783	0.8
111.00890	5.5
113.02448	21.2
115.04012	1.6
118.66624	0.8
119.03465	2.1
125.02454	4.8
129.01950	1.7
131.02528	1.7
131.03510	21.8
133.02933	1.0
141.01962	1.0
143.03510	2.8
149.04572	7.1
151.49463	0.8
159.03003	3.2
161.04556	16.0
220.24666	0.8
233.06627	4.2
243.48149	0.9
249.13412	100.0
250.13731	6.0
293.12311	1.2
363.05408	1.2
381.06274	2.1
381.17633	60.6
382.18024	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79056	0.9
52.40828	0.9
55.01874	6.3
57.03451	4.3
58.00578	3.0
59.01381	75.4
61.98827	12.6
69.03444	2.4
69.32614	7.1
71.01384	73.1
72.01765	1.2
72.99298	3.5
73.02556	1.4
73.02947	22.0
74.30797	0.8
75.00883	1.3
83.01384	16.1
85.02951	33.1
86.00111	1.5
86.03300	1.1
87.00864	4.4
89.02445	37.7
93.03415	0.9
95.01368	2.7
97.02955	3.8
98.19902	1.8
99.00887	10.0
100.64394	0.9
101.02446	74.8
102.02769	1.7
111.00851	6.5
112.30574	0.8
113.01721	1.6
113.02458	23.0
115.03996	2.4
119.03475	1.5
125.02421	4.8
129.01878	2.1
131.03505	26.4
134.03714	1.0
137.02380	1.0
143.03549	4.6
149.04538	11.9
159.03015	4.0
161.04550	16.8
173.04546	1.2
191.05489	2.0
193.05052	0.9
233.06653	3.7
249.13425	100.0
250.13786	7.0
293.12320	1.1
337.20026	1.3
362.10837	1.0
381.17624	76.7
382.18048	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	381.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38329	1.0
52.74043	0.9
55.26902	0.9
56.34136	1.0
56.91202	0.9
59.01381	7.0
61.98832	1.5
70.36456	3.5
71.01380	5.3
72.04552	1.0
72.99280	1.4
73.02929	1.3
73.48238	1.2
78.95889	1.2
85.02955	2.6
87.00861	2.1
89.02444	2.7
92.05055	2.8
96.96014	5.3
100.04034	1.2
101.02457	2.2
112.98810	1.2
113.02459	2.3
116.05055	3.8
125.19709	1.2
126.36385	1.1
127.11948	1.0
131.03714	3.2
132.04588	8.4
134.04785	1.6
142.06624	2.2
143.06194	1.3
144.04562	6.9
156.06950	6.8
157.07729	5.9
158.04904	1.7
158.06116	3.4
160.04053	9.4
161.04527	1.6
167.06143	12.3
169.07726	4.8
170.06029	2.1
171.09261	8.7
173.07181	10.7
176.07143	1.2
179.06100	1.2
179.69327	1.4
181.07704	56.3
182.06076	2.9
182.08032	3.9
187.08813	2.6
188.05907	3.2
197.07185	5.3
199.08769	34.3
200.09109	2.4
201.06694	4.7
217.09880	3.6
219.07884	1.3
226.05063	3.8
243.07727	27.0
244.08043	1.7
261.08783	100.0
262.09055	8.3
273.08749	2.1
291.09836	1.1
363.11984	3.9
381.09222	1.0
381.13223	17.5
382.13492	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80071	1.7
55.47791	1.8
57.03448	88.6
58.03790	2.0
59.01379	100.0
69.82501	3.8
69.82914	5.1
71.01394	11.2
72.99285	1.6
73.02945	4.7
77.37639	1.8
77.74143	1.5
83.01399	3.9
85.02930	8.0
87.00877	2.0
89.02454	3.2
93.13717	1.8
99.00864	2.6
99.04517	71.6
101.02441	25.9
110.27203	1.6
113.02469	7.1
114.01973	3.2
124.07651	1.5
125.02456	28.1
126.79429	1.6
130.79417	1.9
132.04646	2.0
161.04520	2.4
169.86502	1.5
199.09882	2.1
217.10713	2.7
232.06209	2.3
235.11862	15.9
277.12915	2.4
379.15894	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	380.1562
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01867	0.6
58.00586	0.6
59.01382	16.5
71.01390	31.2
71.05020	6.7
71.07992	0.6
71.08371	1.2
72.31918	0.6
72.99300	1.0
73.02966	1.2
83.01401	1.1
85.02976	3.3
88.04053	4.1
89.02460	8.6
99.00914	0.7
99.04520	2.0
101.02453	8.3
102.02558	0.5
113.02467	4.4
116.03552	1.1
116.07203	1.1
119.03497	2.0
128.07201	2.7
130.41986	0.5
146.08243	57.3
147.08545	1.7
161.04497	1.5
200.09340	1.5
238.40944	0.6
263.11456	0.9
308.13586	5.7
362.14700	1.6
380.15631	100.0
381.16019	9.3
381.67014	0.6
384.18488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01862	2.8
57.03442	2.3
58.00581	3.6
59.01379	94.2
60.01714	1.1
61.63043	0.7
63.98577	0.7
69.03439	0.9
69.51445	4.7
69.74706	0.9
71.01382	71.1
72.01714	0.9
72.99310	4.0
73.02946	11.6
83.01392	4.2
85.02950	12.2
86.00099	0.9
87.00877	6.9
89.02444	100.0
90.02776	2.4
90.38219	0.7
95.01382	2.2
97.02968	0.7
99.00875	5.2
101.02441	46.6
102.02791	1.2
108.59408	0.7
111.00877	2.1
112.42338	0.9
113.02451	15.7
119.03493	14.8
124.26101	0.9
125.02457	1.9
131.03508	35.9
135.04604	1.0
143.03491	3.0
149.04553	54.2
150.04897	1.6
161.04550	3.7
179.05597	6.2
191.05615	17.5
192.06068	0.9
207.44624	0.9
233.06625	1.4
247.11833	4.6
251.07753	1.0
292.37622	0.8
363.35532	0.7
379.16028	16.2
380.16476	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
55.35173	0.8
57.03448	2.5
58.00578	2.6
59.01382	72.5
69.03419	0.9
69.90282	4.7
70.16418	0.7
71.01384	44.4
71.47009	0.8
72.01720	1.4
72.99303	2.4
73.02940	3.5
73.55206	0.8
76.98951	0.9
83.01385	4.0
83.05029	3.9
85.02951	9.2
85.79917	0.9
87.00871	2.0
89.02447	45.2
95.01382	3.1
99.00874	1.8
101.01790	1.9
101.02448	27.8
101.12484	0.9
113.02455	14.7
119.03510	15.4
125.02446	0.9
131.03505	5.8
137.09714	9.1
143.03487	3.0
149.04605	7.5
155.10782	32.3
156.11086	1.5
157.08691	1.1
161.04541	3.3
173.04556	0.9
179.05615	4.6
181.08698	5.3
191.05582	1.7
199.09756	56.2
200.10143	2.4
215.96973	0.9
217.10820	6.1
240.79019	1.0
247.11775	5.1
251.77026	0.9
272.62271	0.9
354.70737	1.1
379.16083	100.0
380.16476	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	378.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.1
60.98586	5.8
61.98830	100.0
63.66477	5.2
63.85593	5.2
66.05791	6.3
69.32692	49.7
79.95722	7.0
96.95998	32.2
98.19963	13.4
126.22823	6.5
132.61572	6.1
188.20900	6.0
290.95325	6.5
297.15274	15.0
299.25897	12.1
315.19647	63.0
329.73950	6.4
357.17520	6.1
379.21509	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	379.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	30.9
59.01377	100.0
67.02686	9.4
71.01380	33.9
72.99288	11.3
73.02963	10.7
85.02989	13.4
87.00903	12.3
88.98808	78.6
89.02452	22.8
96.35922	10.6
99.04501	23.0
101.02440	32.6
105.95682	9.1
109.02980	10.5
125.02396	16.9
131.04973	10.9
157.08717	18.1
162.02690	9.0
167.16890	9.2
179.05634	10.2
179.07118	13.7
181.08687	38.9
217.04993	13.8
217.10762	22.7
225.00482	11.1
235.11732	10.4
280.92972	11.2
285.08737	27.7
287.90048	9.7
289.07275	15.4
349.73462	10.0
350.17273	17.8
369.63470	9.4
379.10406	10.6
379.16095	29.9
379.23428	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	377.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98806	0.6
65.44659	0.6
71.01391	0.8
71.52211	1.1
83.22682	0.6
96.96020	1.5
113.20792	0.6
127.27573	0.5
196.97287	0.6
203.25644	0.5
252.73740	0.6
341.10941	1.4
377.30597	100.0
378.30911	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	378.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74042	0.9
52.90644	1.0
59.01365	4.7
61.38939	1.1
61.98830	100.0
71.01386	6.9
71.51351	1.4
73.07452	1.0
76.35127	1.1
80.62926	1.2
80.96520	3.7
96.96017	4.2
101.98083	4.7
102.63735	1.2
123.91434	1.3
134.52280	1.1
155.99121	4.0
177.09225	2.1
192.11555	4.6
203.97935	1.2
205.12234	1.7
207.13887	1.2
217.91940	1.2
220.14682	36.9
221.15434	58.2
221.85992	1.1
222.15765	4.0
231.17476	1.8
236.10530	41.2
237.10942	3.8
275.16568	5.6
293.17578	8.7
294.17953	2.1
305.12292	2.3
306.13043	2.2
321.07480	1.4
360.14124	6.3
378.10382	2.1
378.15305	43.3
379.15512	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	377.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
56.81808	0.5
57.03469	0.7
58.00592	1.3
59.01383	51.2
68.42578	0.5
70.15508	1.6
71.01383	23.7
72.99300	1.5
73.02946	14.8
83.01407	4.2
84.84994	0.5
85.02950	4.7
86.42715	0.6
87.00880	2.8
89.02446	12.5
93.33998	0.6
93.49352	0.7
95.01376	2.0
97.02936	0.6
101.02441	16.8
113.02448	7.8
113.03185	1.0
119.03493	4.5
135.04468	0.6
143.03494	0.8
155.09587	1.2
155.10782	18.3
156.11050	1.3
161.04597	0.7
173.11838	10.3
283.53180	0.6
317.16071	7.8
318.05573	0.6
335.17114	42.2
336.17474	3.4
341.10818	1.5
350.78348	0.6
377.18152	100.0
378.18503	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	375.2904
Annotation	7beta-Hydroxy-5beta-cholan-24-oic acid
Peak:m/z	Relative Intensity
59.01387	0.6
59.82447	0.3
61.98809	0.3
70.06766	1.4
72.94735	0.4
77.70628	0.3
101.75031	0.4
117.33493	0.4
217.59514	0.3
315.27054	0.6
354.97699	0.5
375.29025	100.0
376.29376	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	376.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49855	0.6
55.32248	0.5
59.01379	100.0
60.01716	1.5
61.98830	1.0
70.64919	1.6
71.01402	0.6
86.84253	0.5
96.96038	1.0
203.44035	0.6
212.93587	0.6
237.60645	0.6
253.21785	0.7
255.23378	0.9
291.15115	0.7
316.28650	1.9
341.10928	1.1
376.25351	1.6
377.20233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
58.02983	0.7
59.01371	2.8
69.17309	3.3
69.17713	1.2
71.01363	1.1
71.05012	0.5
71.21634	0.4
73.02959	0.4
74.02470	4.0
83.05025	0.8
85.02937	0.6
85.06590	1.9
87.00871	0.5
89.02419	0.9
89.59545	0.4
96.95973	0.6
98.23020	0.5
99.40192	0.5
109.02944	1.4
111.08155	0.8
113.02449	0.5
116.05054	1.3
129.10336	5.1
135.04506	0.4
136.04016	1.3
137.02371	0.5
137.34967	0.4
145.05019	0.6
147.03267	0.5
147.88887	0.4
160.07764	0.9
165.12773	0.5
171.11411	2.0
173.08076	0.5
183.13919	2.8
192.03705	0.5
197.15425	1.2
213.18307	0.5
227.12910	2.0
237.22214	1.2
242.11809	2.5
247.11916	0.5
268.58377	0.4
273.88364	0.4
282.29935	0.5
283.22913	0.6
327.25427	1.5
329.23434	2.2
343.09360	1.1
357.26559	1.9
375.27487	100.0
376.18811	6.3
376.23343	1.0
376.27823	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
59.01378	2.7
61.98813	0.3
69.03454	0.7
69.85067	0.7
69.85477	0.6
71.01391	0.7
71.05019	0.8
73.02929	0.4
85.02960	0.5
97.06587	0.9
99.08160	2.7
101.02459	0.3
102.88528	0.3
108.36232	0.3
109.02958	0.7
112.98867	0.3
113.09691	0.5
117.03465	0.3
119.04990	0.3
123.08192	0.4
125.09706	0.3
141.12819	0.9
143.10800	2.5
145.02959	0.5
166.99944	0.3
181.15967	0.5
183.13913	5.2
219.99243	0.3
237.22250	0.4
249.18547	0.5
251.20088	0.6
267.23257	1.0
269.21246	2.7
270.21634	0.3
277.95990	0.2
285.24384	0.9
327.25275	1.5
328.58163	0.3
329.23181	0.7
338.06409	0.3
341.06683	0.3
357.26486	1.4
375.27505	100.0
376.27832	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03432	0.7
58.00587	2.5
59.01382	49.2
60.01716	0.5
61.98815	0.5
70.05140	1.3
70.05556	0.9
71.01387	25.2
72.01721	0.6
72.99308	2.3
73.02946	1.8
75.00880	1.4
83.01388	2.1
85.02954	6.3
89.02450	25.1
90.02734	0.5
95.01398	2.8
96.93554	0.4
99.00912	1.0
101.02451	17.0
113.02450	9.2
119.03515	8.4
129.01952	0.9
146.00394	0.5
147.02989	1.5
149.04568	0.5
165.04053	3.4
165.12836	4.2
183.13913	17.1
184.14255	0.9
195.13933	10.7
195.15761	0.7
213.14987	3.9
221.73511	0.6
227.12901	14.8
228.13161	1.2
280.02289	0.6
357.19336	0.6
375.20267	100.0
375.27823	3.4
376.20590	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74546	0.6
58.35278	0.6
58.53489	0.7
59.01380	19.7
59.26274	0.6
60.21913	0.6
61.98820	1.3
69.18764	6.6
72.99301	2.4
84.99306	1.2
87.00874	14.7
102.88327	0.6
103.00364	10.2
111.08796	0.6
112.98813	21.6
130.99849	2.9
149.00900	1.4
168.97453	0.6
173.08151	0.7
197.19116	1.6
225.18556	1.1
243.19632	100.0
244.19957	8.4
375.06714	0.7
375.20480	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13448	0.7
52.57415	0.7
55.38556	0.7
56.49682	0.7
58.00583	0.9
59.01380	18.7
61.98852	0.7
62.13927	0.8
69.29285	0.6
69.29622	6.4
69.48369	0.7
72.99294	2.3
79.95724	0.9
80.96511	1.1
84.99296	0.9
87.00872	14.4
96.95968	1.0
98.19921	1.6
103.00374	11.8
108.98770	0.9
112.98813	21.8
130.99854	2.6
149.00945	0.9
183.17479	1.2
243.19637	100.0
244.19994	8.7
375.20355	4.3
375.27542	1.7
390.83643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01499	0.7
70.82024	1.9
74.99080	3.5
75.13285	0.8
82.84725	0.7
90.09837	0.8
102.05506	0.8
103.25030	0.8
128.79677	0.8
139.32422	0.8
159.08464	11.8
161.06360	2.7
185.51738	0.9
209.01266	2.4
217.07051	1.1
253.41316	0.8
275.06100	0.9
277.07483	2.2
289.07559	2.4
291.09109	96.5
292.09186	12.6
341.51431	0.8
346.67691	0.8
357.13760	2.5
359.15347	100.0
360.15494	16.8
375.18503	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20098	0.9
55.01867	2.1
57.03440	2.8
58.00591	1.7
59.01378	36.8
61.98833	1.1
67.01917	0.9
69.03442	2.0
69.69056	4.3
71.01380	30.0
72.99314	4.3
73.02949	2.9
75.00871	4.1
80.02687	0.8
83.01390	2.4
85.02950	12.9
87.00887	2.6
88.80252	0.9
89.02443	25.3
94.04264	1.0
95.01391	2.5
95.05033	5.9
97.02928	1.1
97.06575	3.1
98.03727	6.0
99.00896	3.6
101.02437	13.4
103.00391	0.8
107.05034	8.3
108.65468	0.8
109.02950	1.1
113.02446	14.4
119.03503	6.8
133.10147	0.7
133.86105	0.8
135.08127	1.0
141.12839	1.7
143.03459	1.0
149.09700	3.2
151.11282	86.7
152.11646	5.4
154.09941	1.2
159.02975	0.9
161.04526	2.1
169.12338	12.9
179.05621	0.9
189.12927	2.1
195.10260	100.0
196.10634	6.0
205.07063	1.2
205.95464	0.7
207.13930	1.1
213.11343	1.1
219.49429	0.8
249.06215	2.5
250.09515	0.9
267.07086	5.8
375.12900	3.1
375.23215	1.2
375.27496	13.4
389.99850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01554	1.0
59.01377	7.6
61.98827	1.6
66.89766	1.0
71.01387	13.7
71.51399	1.5
75.27760	1.0
80.91690	2.4
97.73231	1.1
99.92566	3.4
127.07677	1.6
177.09210	3.7
192.11537	10.2
205.12294	4.0
207.13933	1.3
217.08858	1.3
218.09464	1.9
220.14677	39.7
221.15456	100.0
222.15857	6.8
231.17569	1.7
235.13286	1.5
236.10524	86.8
237.10898	6.9
247.36517	1.1
264.31006	1.1
293.17593	42.2
294.17917	3.8
304.99231	1.1
318.09515	4.7
358.08755	1.6
375.17896	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01703	1.9
61.98839	1.8
63.25587	0.8
69.94674	3.9
71.01373	5.2
72.99316	1.1
79.30181	0.8
85.02939	2.5
87.00900	1.7
89.02476	1.4
92.24822	1.1
93.03439	1.5
101.02454	2.9
107.05051	1.1
109.02961	6.4
110.40499	0.8
113.02486	1.8
115.00405	1.2
120.02187	1.7
121.02985	1.3
121.06578	1.1
123.00889	3.7
123.04532	1.4
124.01639	3.5
125.02470	2.1
128.03566	1.6
134.03767	2.3
135.04521	4.9
136.04053	1.5
137.02454	12.2
137.06120	1.0
138.03258	4.7
143.04602	1.8
149.00934	4.2
149.06148	1.8
150.03226	1.3
151.04019	1.2
153.05579	69.2
154.05911	3.3
154.99886	1.6
161.02481	2.8
161.04555	4.0
163.04041	1.9
163.07634	3.0
163.46790	0.9
165.05566	2.8
173.04604	1.9
177.05573	2.3
177.99783	1.2
179.03485	4.2
180.99081	0.9
189.01724	2.3
201.01695	6.7
213.07758	1.0
253.85001	1.0
264.53168	0.9
287.09171	2.2
306.07755	1.4
375.06854	10.8
375.11334	1.9
375.16812	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	375.0719
Annotation	Hibiscetin 3,8,4'-trimethyl ether
Peak:m/z	Relative Intensity
57.03439	1.1
59.01377	9.1
61.98833	1.9
71.01391	8.9
71.51362	0.9
72.99292	1.9
73.02950	1.0
81.03451	1.4
83.01321	1.0
85.02941	2.1
87.00883	2.6
89.02436	1.5
90.11324	0.9
93.03451	3.7
95.01389	2.5
95.05010	1.2
99.00931	1.2
101.02422	1.9
106.04344	1.0
108.02177	3.5
109.02956	35.7
110.03242	1.0
111.04530	1.8
113.02451	1.3
115.00381	7.1
119.05028	1.8
121.02077	1.1
121.02954	23.2
121.06607	2.0
123.00907	9.5
123.04531	20.2
124.01691	9.0
125.02465	23.7
131.04955	1.2
133.02985	1.5
134.03754	12.5
135.04547	15.5
136.01666	18.7
136.98808	2.0
137.02457	37.1
137.06068	7.9
138.03264	4.3
139.03987	2.8
145.02969	1.2
147.04501	5.2
148.05309	3.7
149.01178	1.3
149.02438	8.6
149.06087	39.8
150.03256	5.0
150.06421	2.3
151.04016	4.1
159.04503	1.3
161.02448	2.2
161.04704	0.9
161.06039	1.9
163.04004	12.0
163.07658	7.8
164.04799	12.1
165.05565	51.8
166.05893	3.2
168.00623	0.9
169.01433	1.1
173.04535	2.6
173.05974	1.5
175.04027	1.0
177.01971	1.2
177.05577	5.3
179.03552	4.7
187.07712	1.3
189.01668	3.7
197.04500	2.2
199.11420	1.2
201.01698	12.5
204.04356	1.3
213.05547	1.3
217.05150	2.1
219.02995	1.2
241.05048	1.8
257.04376	1.0
258.05298	15.5
259.06067	13.3
269.08249	4.3
287.09247	50.7
288.06723	0.9
288.09604	5.1
313.07098	4.8
331.08176	3.2
335.48578	0.9
339.07260	2.7
344.07651	2.1
375.07166	100.0
376.06870	9.8
376.11414	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	374.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33149	0.8
51.14486	0.6
51.83935	0.6
59.01379	100.0
60.01697	2.1
61.98817	1.2
69.49774	3.3
69.50185	1.9
73.02927	0.9
77.24895	0.7
86.44543	0.8
91.81355	0.7
96.74660	0.7
232.10860	1.2
253.21741	0.8
282.24442	1.3
314.26947	2.5
350.39679	0.8
374.24368	6.9
374.28088	0.8
375.24850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54318	0.5
59.01384	94.5
60.01717	2.6
61.98837	4.8
69.40043	1.4
69.40440	4.0
75.40160	0.5
90.97161	1.5
91.70786	0.5
112.52990	0.6
118.96674	0.8
132.98198	1.8
157.00009	1.3
157.28674	0.7
157.79546	0.6
171.97424	1.3
174.99260	25.6
175.99611	0.8
182.02870	0.6
190.33180	0.7
201.02579	5.7
202.02730	11.7
203.02261	4.7
208.93448	0.6
217.00311	100.0
218.00647	3.5
231.97701	3.4
232.97737	0.9
275.88919	0.6
314.98770	0.7
332.98279	0.7
374.99155	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	375.0721
Annotation	Hibiscetin 3,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
59.01389	6.7
61.98832	4.1
65.03951	1.2
67.01869	0.8
71.01384	5.6
71.51011	1.2
72.99306	2.2
73.02939	1.2
73.88495	0.9
85.02941	1.8
87.00874	2.9
89.02451	1.3
93.03447	2.9
95.01403	2.4
95.05032	1.2
97.02950	1.2
101.02416	1.1
108.02160	1.4
109.02961	33.7
110.00091	1.4
110.03282	1.7
111.00870	1.7
111.04495	0.9
112.04045	0.9
113.02431	1.0
115.00391	6.2
117.03453	0.9
119.05040	2.2
121.02948	3.5
123.00007	1.6
123.00897	22.6
123.04502	3.5
124.01682	26.0
125.02475	7.8
133.02927	2.5
134.03758	5.4
135.04549	14.4
137.02454	100.0
138.03235	4.2
139.04034	3.9
147.04489	2.3
148.05286	3.6
149.00932	6.6
149.02402	5.5
149.06084	12.1
150.03241	3.9
151.04018	5.3
153.05563	2.8
159.04521	1.9
161.02467	10.2
161.06139	4.4
163.04022	6.9
163.07669	20.3
164.04703	3.6
165.04189	1.4
165.05577	13.2
169.01410	1.0
173.04495	1.5
177.05577	11.6
179.03493	6.3
187.07510	0.9
189.01666	5.1
191.05626	1.3
201.01709	13.3
207.06638	0.8
209.04507	2.2
211.03876	0.9
213.07582	0.9
215.03336	1.1
241.05064	0.9
254.05969	1.1
257.04587	1.4
258.05148	2.4
259.06165	5.8
267.83008	0.7
269.08160	3.5
275.71088	0.8
285.44720	0.8
287.09259	9.9
331.08038	1.4
358.10474	1.3
375.07098	41.5
375.11862	2.4
375.16873	1.3
376.07397	3.4
378.25269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.7
61.98819	2.0
71.01389	1.3
71.51963	0.8
72.99307	1.6
79.95744	0.7
83.05014	1.5
84.99297	1.1
87.00879	8.7
103.00378	7.5
112.98811	13.5
115.67545	0.6
118.37149	0.6
121.02960	0.9
122.29674	0.7
130.99866	0.9
137.48792	0.7
142.29230	0.7
142.30312	0.7
176.03571	0.8
181.15973	1.9
195.17575	1.3
241.18089	100.0
242.18451	9.8
373.18683	2.0
373.26025	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	374.197
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
55.69345	1.3
58.02968	4.2
58.80347	1.4
59.01358	2.5
61.52881	1.3
61.98827	2.4
69.29345	3.0
69.29745	12.4
72.00919	9.7
72.68950	1.5
76.45173	1.3
80.91936	1.4
85.66897	1.4
91.05547	7.1
98.20710	3.0
103.05476	1.5
108.84732	1.2
118.06654	4.0
126.26628	1.3
147.04518	49.1
148.04741	1.7
164.07164	81.3
165.07411	3.7
165.12787	4.0
182.15527	3.3
194.15375	2.1
220.13400	2.9
221.14172	2.0
257.08630	1.4
268.20697	13.1
286.21640	1.6
312.19681	39.0
313.20020	5.4
330.20743	12.8
331.21298	1.8
356.18668	27.6
357.18967	4.8
374.19702	100.0
375.20148	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01381	13.7
59.53123	0.5
61.98829	1.6
65.72820	0.6
70.74498	0.6
70.74842	1.4
71.01385	0.8
71.05028	0.9
72.99314	1.5
73.42942	0.5
81.21966	0.5
84.99301	0.7
87.00876	8.8
93.06941	0.5
103.00379	7.1
112.98817	12.7
130.99892	1.2
149.00880	1.0
153.68767	0.5
167.14461	0.9
176.03543	0.7
189.51047	0.6
195.17538	1.3
224.34358	0.5
239.16647	0.5
241.18086	100.0
242.16194	0.9
242.18469	10.0
304.36609	0.5
313.77783	0.6
373.13785	0.6
373.18564	2.8
373.25909	2.4
389.02814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
59.01382	3.2
61.98827	7.5
69.37865	5.8
71.01378	1.3
72.99306	18.5
73.02920	0.8
75.00854	1.1
82.02943	0.7
83.27706	0.6
83.88306	0.7
85.02940	1.3
86.81493	0.6
89.02445	1.0
93.03465	0.8
96.00942	0.7
101.02428	1.0
107.05013	1.0
108.02161	7.2
109.02935	1.4
111.04520	0.7
121.02941	2.6
121.27354	0.7
122.03723	2.5
123.00869	0.9
123.04529	7.1
124.01614	0.7
124.04026	0.9
125.02444	2.0
130.08720	1.1
134.03740	32.0
135.04556	5.0
137.02449	3.3
137.06041	0.9
139.03981	1.3
149.02412	3.5
149.06067	10.1
150.03229	11.0
151.03969	1.4
153.01889	1.9
159.04459	1.8
161.06029	0.9
163.04012	0.8
165.01839	0.8
165.05563	13.2
167.07112	1.4
168.02960	1.7
168.04262	1.0
178.02734	8.5
189.05574	3.3
193.05048	33.5
194.05432	1.7
211.06104	100.0
212.06433	6.0
241.12148	0.6
247.97559	0.7
256.47601	0.7
267.06558	0.9
268.07199	0.9
269.10443	1.0
270.05481	0.7
285.07703	2.2
300.49158	0.7
338.13535	1.8
343.10483	1.4
373.11377	43.1
374.07120	1.0
374.11594	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	373.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
69.26600	4.3
71.01385	1.0
73.02985	0.5
80.05070	1.6
85.02967	0.8
93.49516	0.5
94.06628	3.7
101.02442	0.6
103.04295	0.8
104.05068	9.7
104.98505	0.4
106.06651	0.6
107.03766	7.4
108.04560	10.1
109.02943	0.8
113.02454	0.6
120.04572	0.9
121.05401	0.6
122.06124	41.5
123.06481	2.0
124.07675	1.6
132.04555	82.2
133.04919	3.5
134.06119	4.3
135.04535	0.9
139.02745	1.6
144.04543	1.3
148.04048	6.0
150.05620	2.3
152.07173	95.4
153.07524	4.8
155.05917	0.5
160.04062	1.6
161.02412	0.7
162.05605	0.5
164.07225	0.6
176.03539	9.8
177.03828	0.6
188.03555	1.6
190.05133	0.7
208.06163	4.6
248.32053	0.5
269.12958	6.2
270.13126	0.5
273.12405	6.5
274.12866	0.7
297.12442	35.0
298.12823	3.5
311.05521	0.5
313.11942	4.0
313.59109	0.5
314.12457	0.6
341.11411	100.0
342.11710	11.2
373.09875	0.7
373.14041	14.7
373.22302	1.6
374.14371	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	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01379	3.8
61.98816	0.9
71.01379	1.1
71.51408	0.6
72.99327	0.4
73.02945	0.5
82.02957	0.4
83.01426	0.5
85.02953	1.8
86.69673	0.4
101.02414	0.7
109.02956	0.8
110.00088	7.9
111.00885	0.9
111.04591	0.4
113.02451	2.5
122.03801	0.5
123.00830	0.9
124.01649	0.8
125.02440	6.9
133.22728	0.4
135.04529	1.2
136.01659	1.1
137.02480	0.8
137.99573	9.9
138.03241	0.8
139.00378	6.7
140.01109	0.7
149.02441	0.5
149.06093	0.5
151.00386	0.5
151.03999	2.1
152.01144	2.3
153.01932	100.0
154.02710	10.1
155.03433	1.3
159.04489	0.5
161.04607	0.4
165.36520	0.4
166.02773	2.5
167.03487	7.5
167.04909	0.6
168.04269	50.9
169.05055	21.4
170.05435	1.1
173.04544	0.5
179.03455	0.4
181.05064	2.0
181.08684	1.4
183.20355	0.4
187.18819	0.4
189.72375	0.4
193.05029	0.6
196.03723	0.6
204.31274	0.5
209.04520	0.9
211.06096	1.9
267.06378	0.9
270.05325	0.8
281.06509	0.8
285.07516	1.0
373.06744	0.6
373.11102	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	373.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83033	0.7
56.43378	0.6
57.03449	0.8
59.01387	3.8
69.62596	2.0
69.63023	2.6
71.01373	5.1
82.99674	0.7
85.02981	1.1
87.00871	1.1
89.02437	1.4
101.02428	1.1
108.02161	4.7
109.02959	12.1
115.00374	7.5
119.66934	0.7
120.42154	0.7
121.02882	1.5
122.03743	23.0
123.00835	0.9
123.04488	1.5
124.01657	11.5
133.02957	32.8
134.03250	0.9
134.03680	0.8
135.04524	4.8
137.02477	5.3
146.03723	1.6
147.04533	14.4
148.05301	6.6
154.02708	4.8
159.04524	1.2
160.05321	1.6
161.02438	0.7
161.06078	11.6
162.06386	0.8
163.03998	2.4
179.03525	1.1
213.05600	2.2
225.05702	0.9
237.05397	1.0
241.05000	3.4
242.05826	14.2
243.06221	0.8
251.07236	0.8
254.05804	1.7
255.06578	3.5
256.07291	1.4
257.08124	5.7
267.06656	0.8
267.25391	0.8
269.08157	5.1
270.08948	15.4
271.09286	1.2
283.09616	1.4
285.11316	100.0
286.11679	10.3
290.07632	0.8
329.10471	2.3
346.51654	0.7
373.05093	1.0
373.09344	13.4
373.14856	2.0
374.09662	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	373.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27114	1.8
52.48922	1.4
55.85811	1.4
57.07029	1.5
58.12991	1.2
59.01374	4.8
61.98827	4.3
66.78110	1.4
69.24866	8.0
69.25287	5.5
71.01383	5.2
83.01395	7.7
87.00878	6.4
88.40028	1.5
95.01411	1.8
98.63343	1.5
99.00885	12.6
101.02422	2.6
102.36041	1.4
109.02962	15.4
114.66058	1.5
115.00381	19.7
121.06586	3.5
131.26147	1.5
133.02946	4.9
135.04529	6.3
139.00359	2.4
145.02995	2.9
147.04562	8.7
148.05287	4.7
149.06085	100.0
150.06393	4.9
157.01431	2.1
159.03050	1.9
159.04660	2.0
161.02457	32.2
161.06050	3.6
162.02881	1.8
163.04002	4.2
165.05534	6.0
174.03293	3.0
175.02451	13.6
175.04010	17.6
177.01941	29.2
177.05600	1.7
179.03479	3.3
189.05577	4.5
191.03528	3.8
193.05046	15.3
205.05034	2.5
206.02156	6.7
219.02969	34.9
219.06400	1.9
220.03206	2.5
231.06577	3.1
233.04524	27.4
237.04036	53.2
238.04402	2.0
249.07753	3.8
275.05533	5.5
277.03516	34.2
278.03693	2.5
293.06696	14.8
319.04550	11.9
320.04840	1.7
337.05640	90.5
338.05951	6.7
373.03314	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	373.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27114	1.8
52.48922	1.4
55.85811	1.4
57.07029	1.5
58.12991	1.2
59.01374	4.8
61.98827	4.3
66.78110	1.4
69.24866	8.0
69.25287	5.5
71.01383	5.2
83.01395	7.7
87.00878	6.4
88.40028	1.5
95.01411	1.8
98.63343	1.5
99.00885	12.6
101.02422	2.6
102.36041	1.4
109.02962	15.4
114.66058	1.5
115.00381	19.7
121.06586	3.5
131.26147	1.5
133.02946	4.9
135.04529	6.3
139.00359	2.4
145.02995	2.9
147.04562	8.7
148.05287	4.7
149.06085	100.0
150.06393	4.9
157.01431	2.1
159.03050	1.9
159.04660	2.0
161.02457	32.2
161.06050	3.6
162.02881	1.8
163.04002	4.2
165.05534	6.0
174.03293	3.0
175.02451	13.6
175.04010	17.6
177.01941	29.2
177.05600	1.7
179.03479	3.3
189.05577	4.5
191.03528	3.8
193.05046	15.3
205.05034	2.5
206.02156	6.7
219.02969	34.9
219.06400	1.9
220.03206	2.5
231.06577	3.1
233.04524	27.4
237.04036	53.2
238.04402	2.0
249.07753	3.8
275.05533	5.5
277.03516	34.2
278.03693	2.5
293.06696	14.8
319.04550	11.9
320.04840	1.7
337.05640	90.5
338.05951	6.7
373.03314	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	371.3167
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
57.03420	0.7
59.01382	100.0
60.01719	1.1
61.98832	0.7
69.39227	4.1
69.39646	1.2
85.02959	14.9
129.57935	0.6
233.87851	0.6
267.26953	4.0
328.02060	0.7
353.30679	1.3
371.31644	41.5
372.32089	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	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.9
57.03456	9.1
58.00595	3.9
59.01384	64.1
60.01706	0.6
69.03465	1.6
69.25487	3.7
69.25898	1.1
71.01388	100.0
71.05037	0.6
72.01714	2.3
72.99311	4.4
73.02951	30.2
75.00883	1.9
76.16235	0.6
81.03459	1.2
83.01397	17.5
84.02150	1.2
85.02958	44.7
86.00069	0.7
86.03303	1.0
87.00900	5.1
89.02449	30.7
90.02762	0.6
95.01389	6.2
97.02968	2.7
99.00887	12.0
101.02451	84.5
102.02795	2.5
111.00871	1.1
113.02458	42.7
114.02811	0.9
119.02686	0.6
119.03513	11.0
123.08157	1.4
125.02464	2.6
129.01952	1.7
131.03537	1.0
135.04517	1.5
137.09673	1.3
143.03534	5.2
149.04590	1.0
149.09744	0.8
159.03014	10.7
161.04568	50.9
161.95062	0.5
162.04919	1.7
165.09204	2.0
173.04510	0.9
179.05595	1.6
194.10280	0.5
205.03525	1.7
209.08229	7.4
209.15474	9.3
210.15909	0.9
265.70673	0.6
279.15982	0.6
284.03241	0.7
371.20728	43.1
372.21024	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	371.2073
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.01882	8.2
57.03452	7.9
57.28993	0.4
58.00592	2.5
59.01381	69.6
60.01705	0.8
62.12616	0.4
68.99818	0.5
69.03459	1.2
69.51300	1.9
69.51710	0.8
71.01383	100.0
72.01724	1.8
72.99297	3.3
73.02946	32.7
74.67868	0.4
75.00876	1.3
77.19146	0.4
81.03457	0.7
83.01390	14.6
83.01893	0.7
83.79180	0.4
84.02168	1.0
85.02953	46.8
85.93719	0.5
86.00090	0.8
86.03297	1.5
87.00871	4.1
89.02449	28.5
89.35173	0.5
90.02779	0.5
95.01392	7.5
97.02937	2.0
99.00880	12.7
101.02444	83.0
102.02771	1.7
111.00880	1.2
113.02452	43.5
114.02791	1.3
119.03505	9.2
123.08182	0.5
125.02486	2.5
129.01942	1.6
131.03513	1.3
135.04491	0.5
137.09726	1.5
143.03494	5.9
149.04552	0.5
149.09752	0.6
159.02992	10.4
161.04556	47.8
162.04903	1.5
165.12886	0.8
174.48062	0.5
179.05630	1.6
182.78029	0.5
205.03545	0.6
209.15465	9.6
210.15768	0.7
246.80550	0.5
283.87589	0.4
371.20743	40.2
372.21063	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	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	27.5
60.30051	0.9
71.01375	4.9
72.99309	2.0
79.95745	2.3
80.96536	1.3
83.01404	0.9
84.99281	1.3
85.02931	2.0
85.06618	1.0
87.00874	13.3
90.65724	0.8
93.03438	1.3
96.96014	27.0
101.02464	1.2
103.00385	8.3
112.98817	17.2
130.99863	1.4
135.04521	3.6
146.25841	0.8
149.00922	2.0
149.13322	3.9
153.09232	10.0
161.04594	1.2
167.10760	2.7
173.04558	5.1
177.16504	5.1
177.26219	0.8
195.17593	1.2
221.15463	26.1
235.09920	1.4
239.16527	100.0
240.16850	9.2
371.13702	28.7
371.24463	2.8
372.14166	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70734	1.1
59.01109	1.6
59.01378	22.6
67.49520	1.1
68.13322	1.1
69.74886	7.1
71.01367	1.5
73.36870	1.1
78.95879	2.8
84.99300	1.6
87.00871	13.5
96.96017	28.7
98.19942	1.3
103.00390	6.5
107.93217	1.2
112.98827	15.1
130.99870	2.3
149.00850	1.3
149.09700	3.5
162.61307	1.1
167.10785	35.1
168.11057	1.4
183.21582	1.3
221.15468	8.8
224.59114	1.5
239.16519	100.0
240.16809	9.1
241.00185	2.7
269.32352	1.4
314.72510	1.3
371.13629	21.4
371.17477	2.1
372.13889	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	371.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
60.97463	0.6
66.33048	0.6
66.60159	0.7
70.64758	2.2
71.01369	2.3
72.99345	0.7
73.02943	0.9
79.95744	2.4
80.96512	2.2
85.02940	1.9
93.03463	1.3
96.96018	100.0
101.02464	3.2
113.02435	1.1
132.51651	0.7
135.04530	1.5
139.54552	0.8
150.97113	1.2
161.04640	0.8
173.04579	2.3
180.98247	1.4
227.47557	0.8
241.00211	8.9
311.11920	0.9
371.13803	92.2
372.14105	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	371.1346
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01873	2.1
58.00586	2.5
59.01382	100.0
59.09703	0.9
60.01704	2.3
71.01009	2.0
71.01385	27.0
72.99291	2.3
74.02466	4.5
75.00880	1.1
78.52167	1.0
83.01398	1.4
85.02959	6.7
87.00877	2.4
89.02447	34.0
93.03438	2.0
93.99486	0.9
94.50943	0.9
95.01394	2.4
96.96971	1.2
101.02456	19.4
113.02456	11.6
119.03507	16.1
125.03548	3.5
134.71515	1.0
135.04532	6.1
149.04507	1.2
161.04613	1.7
173.04518	7.8
179.05629	1.8
191.07143	1.2
209.02928	1.1
328.15161	12.7
359.05176	1.0
370.65567	1.0
371.13431	52.1
372.13696	5.6
372.17661	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	371.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34873	0.4
59.01387	1.8
65.00313	0.3
69.64658	0.3
70.94115	0.7
71.01376	1.0
73.02956	0.4
83.01370	0.5
85.02943	0.6
89.02458	0.4
92.05035	0.4
94.06617	6.6
99.00861	0.5
101.02441	1.0
103.04267	0.6
104.05095	0.7
106.06649	1.2
107.03769	7.6
113.02467	0.8
116.05080	0.5
119.03725	0.4
120.04548	0.9
122.06123	43.1
123.04489	0.4
123.06463	1.5
124.07670	4.6
130.02997	2.1
132.04581	0.6
134.06122	1.5
135.04494	2.0
137.02493	0.5
138.05537	0.4
139.02731	2.7
147.03273	0.8
150.05598	0.4
152.07167	65.8
153.07520	3.5
160.04079	2.0
161.04527	0.4
162.05602	54.8
163.05943	2.7
166.05109	0.6
173.04526	1.8
174.02011	0.5
174.05640	0.6
186.01927	2.7
191.05667	0.3
206.04572	18.6
207.04932	1.2
209.08005	0.4
218.04553	4.9
219.05101	0.6
220.05943	0.4
225.51471	0.3
247.86305	0.4
269.13004	1.5
295.10724	0.4
299.14014	4.2
300.14459	0.5
313.11859	0.8
326.09323	0.4
327.13516	3.6
328.13965	0.5
343.12970	7.5
344.13342	1.2
371.12448	100.0
372.12759	11.9
390.80927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01864	2.0
57.03448	1.7
58.00587	3.5
59.01381	100.0
65.23510	0.8
65.46901	0.9
69.87054	4.2
71.01382	46.3
72.99297	4.0
83.01370	2.6
85.02953	9.8
87.00852	2.6
89.02446	58.4
91.05518	1.9
93.03473	1.8
95.01380	3.7
98.20648	1.0
99.00913	1.8
101.02444	35.0
101.03111	1.9
103.98634	0.8
113.02456	18.5
114.02789	1.2
119.03500	29.2
121.02987	1.5
131.03519	2.4
135.04527	4.0
143.03510	2.1
144.67181	0.8
147.08185	3.4
149.04523	1.6
152.04803	1.0
161.04527	1.3
163.03818	0.9
163.07674	0.9
167.56366	0.9
173.04614	5.0
179.05591	3.8
181.01041	0.8
190.57942	0.8
191.07280	0.9
209.04579	2.0
209.08386	0.8
236.58727	0.9
250.67076	0.9
333.52386	1.0
371.09851	3.4
371.13477	93.1
372.13812	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	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24779	0.8
55.01879	1.2
57.03440	3.4
58.00592	1.1
59.01380	21.0
61.98829	1.0
63.43501	0.8
67.01878	1.2
68.99825	2.5
69.03452	1.8
71.01004	1.6
71.01377	19.8
71.52476	1.6
72.99304	6.3
73.02947	2.8
74.02483	1.0
75.00872	20.3
79.34798	0.7
81.03451	2.7
83.01366	1.7
83.05032	2.8
85.02952	22.7
87.00877	8.1
89.02446	5.2
93.03444	3.8
95.01379	5.5
99.00881	10.8
101.02464	1.7
103.00338	2.7
109.02990	0.9
111.00879	2.3
113.02444	26.2
115.00375	1.8
117.01923	3.3
121.02954	100.0
122.03295	2.8
123.04514	3.0
125.02446	1.3
129.01942	2.2
134.03613	0.9
135.04521	8.6
136.04932	0.9
147.04440	1.2
149.02417	4.0
149.06093	2.5
161.02483	1.2
164.04816	0.9
165.01897	1.1
165.04062	2.5
166.05064	1.6
167.03491	3.2
167.58334	0.8
173.04565	10.3
175.02443	2.1
189.03932	1.2
197.04575	1.4
209.03064	1.4
210.04056	1.0
223.06111	2.0
231.05103	6.5
239.12912	0.9
249.06140	75.5
250.06447	4.6
251.07841	0.8
353.08719	1.8
371.04837	1.9
371.09787	49.3
371.16946	2.2
371.23596	4.1
372.10007	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91168	0.3
57.03455	1.1
58.47257	0.3
59.01377	1.7
66.38616	0.4
67.01888	3.5
69.03468	0.5
71.01376	2.9
71.20743	0.7
72.99313	1.8
78.98065	0.4
81.03468	1.1
83.05032	1.1
85.02937	1.9
87.00890	1.1
91.83300	0.3
93.03455	21.5
94.03795	0.9
97.02958	0.4
98.53423	0.3
109.02966	1.0
111.00884	0.6
111.04510	5.5
117.03481	0.3
121.02937	0.5
123.04520	5.9
127.03996	0.5
134.03754	1.2
135.04521	84.8
136.04845	4.3
137.02437	4.3
147.15710	0.4
151.03964	0.4
153.05557	4.6
155.03491	4.3
162.34718	0.3
163.05545	0.3
167.03481	4.2
170.72685	0.3
173.04539	100.0
174.04898	4.6
179.03482	4.1
191.05600	9.3
192.06038	0.5
197.04533	12.9
198.04924	0.5
209.03041	1.0
235.05901	0.5
236.38777	0.4
261.63028	0.3
341.08749	5.4
342.09183	0.4
353.08701	3.0
371.09805	7.9
372.10126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10278	0.6
57.01509	0.4
57.03411	0.5
58.18960	0.3
59.01366	1.9
60.99299	0.8
65.43604	0.5
65.79749	0.4
65.89577	0.4
67.01889	1.6
69.03486	0.5
70.93192	0.8
70.93517	0.5
71.01379	2.4
81.03462	1.0
83.05027	0.6
85.02953	3.4
87.00886	0.7
93.03455	13.2
108.05251	0.4
109.02941	0.8
111.04524	3.2
116.11192	0.4
118.70670	0.4
119.70430	0.4
123.04501	3.3
124.92041	0.4
135.04520	34.7
136.04819	2.0
137.02472	2.8
153.05580	3.0
155.03508	3.3
167.03508	1.9
173.04541	100.0
174.04890	5.4
176.62784	0.5
179.03494	1.8
180.03804	0.5
191.01881	0.4
191.05611	5.1
197.04529	4.9
209.03023	3.5
341.08740	5.4
342.09058	0.5
353.08646	2.2
371.09750	5.8
372.10089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03451	8.9
58.00572	0.7
59.01380	12.9
59.02602	0.7
61.22331	0.9
67.01892	3.4
67.34241	0.8
68.99854	1.2
69.03451	0.8
69.87246	4.2
71.01380	14.2
72.92383	0.7
72.99308	5.0
73.02942	1.4
75.00873	1.4
81.03476	1.0
83.01378	2.1
83.05049	1.2
84.02190	1.3
85.02952	67.0
86.03297	2.4
87.00876	4.7
89.02452	6.9
93.03463	20.0
103.00380	2.5
109.02946	1.7
111.00913	0.8
111.04545	4.0
113.02430	1.6
121.02950	0.9
122.02464	3.2
123.04547	3.9
128.73135	0.9
129.01944	4.3
133.01419	6.5
134.03777	1.4
135.04527	55.0
136.01620	0.9
136.04861	2.3
137.02484	4.1
143.67490	0.9
147.03004	4.0
151.04013	1.5
153.05580	3.6
155.03461	2.9
167.03458	3.0
173.04550	100.0
174.04892	3.5
176.76970	0.8
179.03525	4.7
191.01964	16.7
191.05574	6.2
193.00772	0.8
197.04604	8.3
198.04848	1.2
209.03017	97.3
210.03366	2.8
235.06079	3.1
247.05968	1.0
249.06142	4.7
265.07117	1.7
266.09372	0.8
341.08737	2.7
353.08731	2.4
371.05637	1.6
371.09802	11.0
372.09479	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02880	1.0
57.03448	7.7
59.01378	10.2
61.98829	2.9
66.56019	0.7
70.99266	1.8
71.01383	15.0
72.99308	3.8
73.02961	1.2
75.00864	2.0
78.95911	1.1
83.01387	1.9
84.02175	1.5
85.02948	70.1
86.03300	1.7
87.00892	2.5
89.02444	8.1
93.03447	5.5
94.12905	0.8
101.02446	1.5
103.00366	2.4
109.02914	1.2
111.04514	1.7
115.00368	1.2
119.05022	3.6
122.03728	1.9
123.04533	3.2
129.01935	4.1
133.01430	8.0
135.04524	15.8
137.02423	1.2
147.02980	4.8
151.03983	1.3
153.05632	1.0
155.03557	1.4
163.03981	4.3
165.05479	1.4
167.03482	1.0
173.04538	22.1
174.05025	0.9
179.03516	1.9
191.01961	14.0
191.03633	1.2
191.05658	2.9
197.04517	2.8
209.03017	100.0
210.03351	4.1
231.68727	0.9
252.44862	0.9
284.25729	0.9
327.10773	2.4
367.27615	0.9
371.09583	4.3
372.09988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3008
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
51.68208	0.6
57.03454	1.0
58.33075	0.6
59.01381	100.0
60.01701	1.6
66.85156	0.5
69.93110	2.8
74.02491	1.5
85.02953	15.6
93.39007	0.5
96.09493	0.5
98.20549	1.1
172.87338	0.5
185.95215	0.5
248.42703	0.5
265.25357	3.9
340.28494	0.6
369.30090	39.8
370.30228	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	369.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
69.56583	1.1
69.57006	1.6
70.31487	0.4
83.04982	0.5
83.99367	0.4
84.04433	0.4
84.71527	0.4
103.85062	0.5
107.04250	0.5
109.63034	0.4
210.09349	0.5
213.03563	0.4
305.28546	1.5
307.30054	68.2
308.30377	8.0
323.29395	0.8
325.31186	1.8
351.29022	18.2
352.29358	2.5
369.30081	100.0
370.30438	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	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03454	5.7
59.01375	9.4
60.99300	1.1
67.01891	4.7
69.69118	3.1
71.01387	10.2
72.99308	10.5
75.00886	2.5
78.95911	0.9
80.06666	0.8
85.02953	51.1
86.03280	1.1
87.00863	5.2
89.02450	5.1
93.03457	25.8
103.00354	1.8
103.74261	0.7
109.02979	1.6
111.00878	1.1
111.04519	5.4
113.02473	1.7
115.00353	1.1
122.02487	3.1
123.04529	6.1
129.01953	4.6
133.01443	3.5
135.04527	36.2
136.04875	1.6
137.02466	4.0
147.02962	1.9
153.05557	2.6
154.69894	0.7
155.03485	4.3
167.03476	1.2
173.04549	100.0
174.04877	2.6
175.77159	1.0
179.03548	7.4
179.97845	0.8
191.01965	17.5
191.05592	3.8
192.02408	0.8
197.04546	12.2
209.03030	68.9
210.03427	3.1
249.06100	4.6
319.10568	0.8
341.08823	2.5
353.08990	1.2
371.05563	1.4
371.09848	15.4
372.09677	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	369.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34215	0.6
57.03438	1.9
58.00576	0.6
59.01379	26.8
69.45944	5.0
72.99306	2.3
73.02939	1.0
80.73458	0.6
83.05023	1.0
84.99297	1.4
87.00870	17.7
103.00374	7.1
106.31456	0.6
109.02986	0.8
110.59767	0.6
112.98803	17.0
121.10234	3.2
121.45661	0.8
123.04483	0.7
130.99825	1.6
147.11795	1.5
149.00890	2.3
149.13370	2.8
152.63959	0.7
161.09721	4.7
173.04636	1.0
175.14890	8.8
193.12320	17.9
194.12593	1.3
202.63435	0.7
205.05089	1.0
205.08713	0.8
219.13885	28.2
220.14175	2.6
237.14941	100.0
238.15263	7.9
369.13348	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	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	2.1
59.01378	28.0
69.03445	4.5
71.01382	2.2
71.05014	6.0
72.75458	1.5
72.99303	2.4
74.71098	1.4
84.48134	1.3
84.99326	1.5
87.00874	15.9
89.11408	1.5
96.96061	3.2
97.06632	7.7
103.00365	12.8
104.77420	1.3
109.02951	2.5
112.98818	21.9
121.10204	1.8
123.08180	10.5
130.99857	3.0
139.07686	1.6
173.04451	2.1
202.67297	1.5
235.24199	1.7
237.14960	100.0
238.15331	7.2
324.72476	1.5
369.14188	1.7
369.19226	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65630	0.5
57.03431	1.2
58.00571	1.3
59.01379	27.1
61.98810	0.7
69.03444	1.0
71.01364	1.4
72.99303	2.6
73.02937	1.2
75.60065	0.5
80.96513	3.1
83.05025	0.9
84.99307	2.4
86.76665	0.5
87.00873	17.6
103.00370	11.5
109.02943	1.4
112.98807	21.3
121.02940	0.7
121.10262	1.0
124.94295	0.7
130.99852	2.6
133.02936	0.6
149.00896	2.3
149.09747	3.7
151.04065	0.7
161.09709	13.1
163.21893	0.6
165.12733	0.9
167.10768	41.4
168.11115	2.2
173.04498	1.3
175.14948	1.2
193.12346	2.4
193.15945	1.0
205.08595	0.7
219.13857	5.1
237.14952	100.0
238.15309	8.1
325.14386	0.7
336.84335	0.6
349.96185	0.6
369.15146	2.1
369.22791	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	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03430	0.8
59.01367	1.4
65.03920	0.5
68.99802	0.6
69.03443	1.2
71.01358	1.0
71.52483	0.6
81.03460	1.0
83.01387	7.8
85.02979	1.0
86.87315	0.4
91.05544	0.6
93.03461	2.7
93.07076	1.2
95.01384	1.3
95.05029	1.9
97.02957	10.5
105.03482	0.6
107.05006	0.6
108.02197	2.6
109.02957	43.2
110.03289	1.4
111.00887	0.6
113.02414	0.5
117.03432	0.6
117.26792	0.4
119.04990	0.7
119.08678	1.1
121.02954	5.2
121.06604	4.3
122.03767	4.2
123.00900	1.4
123.04536	28.9
123.08173	1.1
124.01665	1.7
124.04849	1.1
125.02460	3.3
131.05043	0.6
133.02943	1.4
133.06601	0.7
133.10281	0.6
135.04530	3.1
137.02490	2.3
137.09688	1.4
138.03221	0.8
139.04027	5.9
139.11278	1.4
141.39841	0.4
143.05017	0.8
145.02980	2.4
145.06578	0.7
146.03751	3.8
147.04529	1.4
149.01263	0.9
149.02440	12.2
150.03304	2.3
151.04019	13.4
152.04414	0.6
154.02728	1.0
157.06667	0.7
158.03697	0.6
159.04535	4.3
159.08165	0.6
160.05252	1.2
161.02455	6.5
161.06096	9.3
161.09715	4.3
162.03259	3.9
162.06589	0.6
163.04012	4.3
163.07661	3.7
163.11252	1.1
164.01175	0.6
165.01891	0.7
165.05591	0.5
165.09239	0.8
172.05276	0.9
173.04535	0.4
173.06004	1.3
173.09732	0.6
174.03217	0.8
174.06766	0.4
174.51434	0.4
175.03979	3.2
175.07623	1.2
175.11305	1.9
176.01181	2.3
176.04727	0.5
177.01906	0.9
177.05531	2.5
177.09247	1.1
185.06058	1.2
187.04007	4.3
188.04739	3.1
189.01891	1.3
189.05573	4.1
189.09232	1.0
190.02650	1.1
190.06039	0.5
201.05522	1.3
201.09189	1.1
202.06291	1.4
202.09995	0.5
203.03534	4.2
203.05331	0.9
203.07150	10.1
203.10703	1.0
204.07600	0.5
205.05074	16.7
205.08679	11.8
206.05368	1.2
206.09155	1.0
207.10255	10.0
208.10625	0.5
213.05608	1.7
214.06306	0.6
215.03473	0.8
215.10635	1.3
216.04398	0.6
217.05238	0.7
217.08687	8.5
218.09145	0.9
219.10269	4.5
229.05107	1.3
230.05855	1.4
231.02930	3.0
231.06569	1.3
231.10271	1.1
239.07056	0.7
240.11534	0.7
244.07373	1.8
245.08141	5.1
246.08942	3.4
247.06088	8.9
247.09660	3.1
248.06438	0.5
253.12177	0.5
255.06589	0.9
259.09738	4.5
267.10352	0.7
282.12589	0.7
283.13382	4.0
284.13556	0.7
301.14487	1.8
307.13242	0.6
323.07965	0.4
325.14450	16.7
326.14658	1.9
351.12207	1.2
369.13406	100.0
370.13721	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	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09656	0.5
54.64394	0.5
55.01882	0.6
57.03438	0.8
69.03450	2.3
70.53917	0.5
70.54240	1.2
77.05128	0.6
80.02644	0.6
81.03445	1.4
83.01389	8.7
85.02956	0.9
91.01880	0.7
93.03464	3.4
93.07080	1.0
95.01375	1.8
95.05001	2.3
97.02949	13.3
105.03477	0.6
107.04990	0.9
108.02178	2.7
109.02950	38.5
110.03267	1.0
117.03475	1.1
119.05048	0.8
119.08652	1.8
121.02965	5.9
121.06612	4.0
122.03757	4.7
123.00885	1.6
123.04524	30.6
123.08097	0.5
124.01604	1.3
124.04875	1.1
125.02445	3.8
131.04976	1.4
133.02919	1.5
133.06560	0.8
134.03831	0.6
135.04526	4.7
137.02480	2.3
137.09666	1.1
138.03275	1.2
139.04015	5.7
139.11243	1.6
140.04309	0.5
143.05029	0.9
145.02959	2.8
146.03758	5.9
147.04472	2.0
148.01672	0.6
148.05298	0.5
149.02441	11.7
149.06033	1.3
150.03162	2.0
151.04004	12.9
152.04337	0.8
154.02730	0.6
157.06618	0.6
158.03719	0.6
159.04514	5.7
160.05196	1.0
161.02466	6.9
161.06087	12.2
161.09708	4.5
162.03224	5.7
162.06500	0.8
163.00340	0.5
163.03996	4.3
163.07635	3.2
163.11285	1.0
165.01839	0.6
165.05521	1.0
165.09184	0.6
171.04436	0.5
172.05296	0.6
173.06047	1.3
173.09648	0.8
174.03204	1.3
175.04012	2.8
175.07619	1.9
175.11246	2.0
176.01118	1.8
176.04750	0.5
177.01831	0.6
177.05545	3.1
177.09155	0.9
185.06097	1.6
187.03984	4.6
188.04790	3.2
189.01920	1.8
189.05583	3.2
189.09155	1.1
190.02698	1.3
191.05518	0.6
201.05585	1.7
201.09207	0.8
202.06255	1.1
203.03528	3.2
203.07130	8.8
203.10764	1.3
204.07472	0.7
205.05051	19.6
205.08643	9.7
205.24136	0.5
206.05421	1.5
206.09082	0.7
207.10245	8.3
208.10657	1.0
210.06754	0.5
211.07535	0.6
213.05545	1.6
215.03481	1.0
215.10730	1.1
217.08687	7.2
218.09271	0.9
219.10269	3.4
229.05013	1.8
230.05733	1.0
231.02971	2.6
231.06487	1.0
231.10179	0.9
237.14879	0.7
239.07027	0.6
244.07442	1.1
245.08150	5.5
246.08873	3.5
247.06091	11.0
247.09656	2.4
248.06424	0.6
255.06500	0.8
259.09729	5.2
282.12637	0.9
283.13425	3.8
291.74985	0.6
301.14459	2.7
307.13324	1.3
325.14429	18.5
326.14755	2.4
327.12357	0.8
351.12289	1.3
369.13388	100.0
370.13730	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	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51114	1.3
52.94450	1.2
59.01379	8.5
69.03444	2.9
69.17055	13.2
71.01398	1.6
75.49854	1.3
76.17748	1.1
79.95702	1.8
80.33237	1.4
82.40794	1.3
83.01385	9.8
87.00871	5.6
93.03444	4.3
95.01334	1.6
95.05034	2.5
96.96024	8.9
97.02957	13.2
97.06551	2.0
98.20688	2.7
103.00368	2.8
108.02177	2.4
109.02952	41.9
112.98818	8.7
117.03446	1.7
121.02940	6.4
121.06603	5.7
122.03722	3.1
123.04526	35.8
123.08167	2.4
124.04871	1.9
125.02412	3.7
133.02959	3.5
135.04539	4.7
137.02464	2.4
137.09657	1.6
139.03999	5.4
139.11266	1.6
145.02994	3.0
146.03711	5.4
149.02470	13.5
150.03203	1.7
151.04019	13.7
158.03717	1.6
159.04543	6.6
161.02431	6.0
161.06088	10.2
161.09702	5.3
162.03203	4.7
163.03978	3.7
163.07616	3.3
163.11317	1.7
165.09109	1.5
165.58276	1.6
175.03912	4.1
176.01173	2.2
177.05559	3.6
177.09215	2.5
187.04008	4.0
188.04813	2.4
189.05536	2.3
189.09163	1.7
190.02589	1.7
203.03508	3.2
203.07114	10.1
205.05045	18.7
205.08684	11.6
207.10281	10.1
217.08678	7.4
219.10220	4.2
219.13864	1.4
230.05992	1.6
231.02908	2.2
237.14925	14.0
244.50838	1.3
245.08249	7.4
246.08934	4.2
247.06096	9.7
247.09734	3.9
259.09732	5.2
283.13354	4.0
301.14517	2.6
325.14319	15.6
369.13394	100.0
370.13721	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	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15173	1.0
61.98832	1.4
65.00341	1.3
69.03450	2.2
69.41573	6.2
69.41988	2.6
78.95908	1.2
81.03443	2.1
83.01392	8.3
93.03460	3.7
93.07094	1.6
95.01393	2.2
95.05067	2.1
95.63194	1.0
97.02947	13.4
108.02174	2.2
109.02953	40.3
110.03321	1.1
119.08634	1.6
121.02964	8.2
121.04786	1.0
121.06587	4.5
122.03731	4.2
123.04520	31.3
124.01662	1.5
125.02420	3.7
133.02956	1.6
135.04549	5.2
137.02492	2.6
137.09734	1.6
139.03995	5.0
143.05077	1.3
145.02968	3.5
146.03723	4.0
149.02443	11.6
150.03236	1.6
151.04002	11.1
159.04533	7.1
161.02423	8.0
161.06076	9.1
161.09705	3.8
162.01944	1.0
162.03191	5.8
163.04034	5.4
163.07658	3.4
163.11275	1.4
165.01981	1.3
173.06007	1.5
175.03961	2.3
175.11263	1.4
176.01176	1.6
177.05605	3.3
185.06136	1.3
187.03987	4.8
188.04736	1.7
189.05518	3.6
189.09093	1.7
190.02666	1.5
201.05583	2.1
201.09140	1.4
203.03459	2.5
203.07117	10.1
204.07443	1.4
205.05045	18.6
205.08644	12.5
207.10268	6.9
217.08672	7.4
219.10120	2.4
220.94272	1.2
231.02962	3.7
239.07109	1.5
240.11670	1.2
244.07288	1.6
245.08243	6.3
246.08978	2.5
247.06120	11.7
247.09592	2.9
259.09613	3.1
270.97464	1.0
283.13385	3.4
300.20563	1.2
301.14392	1.9
325.14417	18.9
326.14801	1.7
351.11804	1.3
351.21536	1.1
367.62158	1.1
369.13403	100.0
369.17014	4.1
370.13794	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	369.1341
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
55.17878	0.7
56.33792	0.7
57.03440	0.9
59.01371	1.7
61.98820	1.2
69.03458	1.9
70.63448	1.3
74.00104	0.7
78.68401	0.8
81.03486	1.2
83.01385	5.9
85.02948	0.8
89.46378	0.7
91.51332	0.7
93.03458	2.9
93.07094	1.7
95.01385	1.8
95.05021	2.5
96.95998	1.8
97.02950	10.9
100.93499	0.9
108.02174	2.8
109.02950	43.7
110.03313	1.6
119.05032	0.9
119.08688	1.0
121.02966	4.9
121.06612	2.5
122.03736	3.7
123.04530	30.2
124.01681	0.9
124.04816	1.2
125.02449	3.1
127.93639	0.8
131.05025	1.0
132.59819	0.8
133.02977	1.7
134.03653	0.9
135.04547	3.9
137.02458	1.4
139.04027	4.9
139.11298	1.2
143.04962	0.8
145.02968	2.9
146.03726	3.4
147.04504	0.8
149.02440	9.2
150.03207	2.7
151.03993	13.6
151.05119	1.1
154.02794	0.8
159.04529	3.3
161.02444	5.3
161.06064	8.5
161.09729	4.6
162.03252	3.9
163.03996	4.7
163.07639	3.1
163.11171	0.8
165.01987	1.0
165.05615	1.7
165.09204	1.1
173.06131	0.7
173.09740	1.3
175.03966	2.5
175.07635	1.3
175.11342	1.9
176.01180	1.8
177.05562	2.8
177.09160	1.7
187.04066	4.1
188.04747	2.3
188.26524	0.8
189.05597	3.8
190.02629	1.3
201.05605	1.5
201.09314	1.0
203.03487	2.7
203.07166	9.7
205.05066	14.7
205.08670	11.0
206.09044	0.8
207.10233	8.9
213.05591	0.8
215.10768	1.0
217.08707	8.3
219.10274	4.2
229.05161	1.0
231.02966	2.5
231.06578	1.0
231.10172	1.8
239.07208	1.0
239.10617	1.1
244.07344	0.9
245.08205	5.8
246.08861	4.0
247.06137	7.6
247.09682	2.2
259.09698	5.2
267.10086	0.9
282.12637	1.2
283.13388	2.7
301.14487	2.0
325.14401	13.7
326.14731	2.5
369.13425	100.0
370.13730	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	369.1341
Annotation	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
Peak:m/z	Relative Intensity
59.01377	5.2
59.10946	0.8
61.98820	1.5
68.32198	0.8
69.03439	2.7
70.71793	1.6
71.01372	0.8
81.03433	1.5
83.01382	10.0
85.02947	1.2
87.00867	2.2
93.03450	3.3
93.07117	0.7
93.20126	0.7
94.16598	0.8
95.01399	2.4
95.05045	1.9
96.96001	1.6
97.02952	14.0
97.77882	0.7
103.00368	1.6
105.03494	0.8
108.02157	2.9
109.02952	42.5
110.03270	1.3
110.54067	0.8
111.00882	0.8
112.98817	4.1
117.03445	1.2
119.05019	0.9
119.08683	1.6
121.02944	9.3
121.06583	5.1
122.03728	3.8
123.00872	1.6
123.04527	30.0
124.01646	1.8
125.02419	3.9
128.44701	0.8
131.05009	1.5
133.02992	1.8
134.03712	0.7
135.04532	3.6
136.01605	0.9
137.02411	2.7
138.03206	1.0
139.04008	6.4
139.11313	1.5
145.02928	2.7
146.03709	6.0
147.04543	1.2
149.02443	13.2
149.06073	1.5
150.03142	2.5
151.04012	13.1
154.02771	1.0
155.71661	0.8
158.03712	1.2
159.04515	6.2
161.02458	6.5
161.06067	12.0
161.09734	4.1
162.03194	6.0
163.03946	4.3
163.07637	3.6
163.11255	1.6
165.05632	1.2
165.09267	1.3
172.05284	0.7
173.06046	1.4
173.09711	1.2
174.06981	0.9
175.04010	3.3
175.07614	1.2
175.11261	2.6
176.01137	1.4
176.04601	1.0
177.01920	0.9
177.05579	4.1
177.09235	1.9
183.01195	1.1
185.06082	1.5
186.03203	0.8
187.04007	3.2
188.04758	4.4
189.01930	1.3
189.05589	2.8
190.02783	1.1
197.06161	1.0
199.03944	0.8
201.05449	1.9
201.09148	0.8
202.06317	1.6
203.03577	4.0
203.07149	10.2
203.10782	1.2
205.05043	18.0
205.08656	13.8
207.10237	10.6
213.05493	2.3
215.10843	1.2
216.04260	1.3
217.08653	7.0
218.09125	1.4
219.10309	4.1
229.05101	1.6
230.05664	1.0
231.02945	3.3
231.06491	1.1
237.14935	5.7
244.07253	1.7
245.08215	6.8
246.08875	2.5
247.06102	10.0
247.09732	2.5
248.06467	0.8
257.12921	0.8
259.09772	3.6
283.13358	4.9
292.18243	0.8
301.14447	2.8
325.14450	20.2
326.14667	2.6
327.12329	1.0
369.13397	100.0
370.13718	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	369.134
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
59.01397	2.0
60.55422	1.0
61.98831	2.1
69.03458	2.3
71.01360	1.9
80.96497	1.4
81.03442	2.3
83.01385	7.7
93.03465	3.1
95.01389	2.2
95.05041	2.1
96.95993	2.8
97.02943	12.6
108.02169	3.5
108.92816	0.9
109.02950	39.9
119.05016	1.4
119.08654	2.0
121.02959	5.6
121.06610	4.6
122.03753	3.4
123.04528	30.4
124.04862	2.1
125.02459	4.5
126.78883	0.9
133.02945	1.5
135.04515	3.5
137.02484	2.3
137.09755	1.7
138.03270	1.2
139.03993	4.6
139.11256	1.5
145.02971	2.7
146.03784	4.5
147.04576	1.5
149.02412	10.9
150.03201	2.9
151.04016	11.9
154.02786	1.1
159.04477	6.4
160.05180	1.5
161.02408	6.6
161.06061	11.3
161.09706	3.3
162.03281	7.2
163.03963	4.0
163.07652	2.8
163.11331	1.2
175.04048	3.5
175.07698	1.9
175.11319	1.7
176.01141	1.6
177.01955	1.1
177.05540	3.3
177.09084	1.2
183.01208	1.6
185.05945	1.5
187.04004	5.5
188.04761	4.1
189.01944	1.8
189.05539	2.9
190.02705	2.2
200.04715	1.0
201.05479	1.7
201.09006	1.4
202.06232	1.1
203.03481	3.4
203.07088	9.5
205.05048	21.7
205.08641	11.0
206.05428	1.3
206.09137	1.1
207.10213	8.5
213.05664	1.4
215.10799	1.0
217.08717	6.8
219.10226	3.7
229.05011	1.8
231.02991	2.0
239.07173	1.1
245.08093	6.0
246.08885	4.3
247.06107	11.7
247.09660	3.7
248.06422	1.7
259.09726	6.2
283.13489	1.9
284.13510	1.1
301.14423	1.9
307.13364	1.7
325.14453	19.7
326.14600	2.0
369.13406	100.0
369.16812	3.7
370.13724	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	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46319	0.8
59.01358	0.9
61.98827	2.1
65.11272	0.9
66.73213	1.2
69.03444	2.1
71.50625	0.7
71.51070	1.3
71.74658	0.8
81.03435	1.7
83.01393	7.7
85.02953	0.9
93.03458	3.2
93.07098	1.1
95.01351	1.6
95.05007	2.6
96.96032	1.1
97.02956	10.6
98.04095	0.8
108.02177	3.0
109.02951	36.6
110.03304	1.5
117.03472	1.2
121.02956	6.6
121.06567	4.0
122.03745	3.4
123.00847	1.1
123.04530	30.8
124.01628	1.5
124.41821	0.9
125.02447	4.4
131.04976	1.1
133.02933	2.0
134.03690	1.0
135.04500	3.7
137.02466	3.1
138.03212	1.0
139.04001	5.1
139.11244	1.0
143.04944	1.1
145.02965	2.7
146.03801	4.4
149.02434	10.4
149.06104	0.9
149.09723	0.8
150.03127	1.3
151.04022	12.0
152.04254	1.3
159.04520	5.9
160.05220	1.1
161.02429	6.4
161.06067	10.2
161.09714	4.4
162.03221	5.9
163.03984	3.9
163.07626	3.4
163.11259	1.0
165.05544	1.4
165.09087	0.9
173.04524	1.0
173.09833	1.2
175.04007	3.3
175.07610	1.7
175.11298	2.0
176.01163	1.6
176.04793	1.2
177.05525	3.2
177.09172	1.3
180.90643	0.8
185.05971	1.1
187.04010	5.1
188.04750	3.2
189.01889	1.6
189.05498	3.7
190.02629	1.2
197.06171	1.2
201.05589	2.0
203.03471	3.7
203.07161	10.0
203.10817	1.1
205.05043	15.6
205.08665	10.4
206.08975	0.9
207.10252	9.8
213.05586	1.5
215.10617	0.9
217.08705	8.3
219.10252	3.3
229.04936	1.3
230.05861	1.6
231.02953	3.5
231.06609	0.9
244.07455	1.7
245.08141	5.0
246.08919	3.0
247.06140	9.1
247.09732	3.6
259.09778	4.3
283.13351	4.2
301.14447	2.4
307.13443	1.5
325.14465	17.0
326.14825	2.0
327.12592	1.2
369.13403	100.0
370.13757	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10152	0.4
54.47151	0.5
57.03423	1.2
58.00579	0.5
59.01377	8.8
61.47486	0.4
61.98829	0.8
72.99310	1.1
73.02951	7.0
79.05546	0.7
80.02675	1.2
80.96514	1.6
81.03449	1.5
83.01355	0.7
84.99301	1.3
85.02960	0.5
87.00880	12.1
93.03470	2.3
95.05021	0.7
96.96005	0.8
97.02966	0.8
99.80779	0.6
103.00378	4.7
106.04235	2.4
107.05070	0.6
109.02960	1.6
112.98816	9.2
117.03516	0.5
120.05829	3.2
122.03739	0.6
123.04537	1.2
130.99889	0.8
133.10219	1.3
143.08653	1.0
145.06528	0.5
146.07379	4.3
147.08115	0.7
149.00887	0.6
149.02451	0.5
149.09723	2.7
149.20634	0.5
152.04785	1.4
159.08194	0.8
161.09720	100.0
162.10040	6.3
163.04109	0.6
163.16757	0.4
167.10783	1.8
173.04489	0.9
181.98901	0.5
191.10789	2.3
193.12323	14.9
194.12642	0.9
195.03049	0.6
195.75238	0.5
205.08710	0.8
219.13797	0.7
237.11345	2.5
237.14984	6.6
238.15401	1.1
271.07382	0.6
286.85611	0.5
307.05200	0.5
319.68497	0.5
369.06448	0.9
369.13281	4.2
369.19080	1.2
369.23129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00592	0.4
58.26628	0.3
59.01377	5.2
60.99284	0.6
67.01894	5.1
69.03460	1.2
71.01375	5.5
72.99319	0.5
73.02979	0.4
81.03473	2.5
83.01385	0.8
83.05021	0.9
85.02940	1.7
87.00876	1.1
89.02445	1.5
93.03460	25.9
94.03770	0.6
95.01391	1.3
97.02957	0.8
99.00896	0.3
101.02451	1.4
105.03465	0.4
108.02196	0.3
109.02938	1.6
110.00072	0.8
111.00890	1.2
111.04520	5.2
112.04926	0.3
112.23254	0.3
113.02448	1.0
119.03488	0.7
123.00892	3.5
123.04511	3.8
124.01647	1.5
124.04766	0.4
125.02446	18.4
126.02793	0.4
127.04053	0.6
133.02965	2.3
137.02448	4.2
151.04018	7.3
152.04408	0.6
155.03487	4.1
173.04543	100.0
174.04884	4.3
184.65347	0.3
191.05602	1.0
192.00676	0.4
195.02980	23.0
196.03340	0.8
207.03040	0.4
308.27179	0.3
327.28000	0.4
369.08221	10.2
369.12097	2.7
370.08618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01374	2.2
60.99302	0.9
65.09624	0.5
67.01894	4.0
69.03458	1.0
69.85835	2.1
69.86221	0.9
71.01380	3.0
77.03954	0.8
81.03453	1.1
83.05051	0.6
85.02958	1.6
87.00892	0.6
93.03458	22.4
95.05014	1.1
98.20631	0.9
99.59016	0.5
105.03453	3.7
107.05015	1.2
109.02937	1.3
111.00911	0.6
111.04501	4.2
123.04556	2.9
125.02433	0.8
133.02956	30.4
133.06602	1.4
134.03313	1.6
137.02428	3.5
150.03249	0.7
151.03992	3.8
155.03485	3.6
167.01099	0.5
173.04546	100.0
174.04916	4.0
177.01932	3.2
191.05611	8.6
192.05893	0.7
195.02971	17.1
196.03395	0.7
204.17213	0.5
369.08292	2.8
369.12259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26942	0.5
58.25066	0.5
58.86420	0.5
59.01381	1.6
61.98831	100.0
68.26794	0.5
69.45648	4.3
71.01398	1.6
85.02953	0.6
88.20061	0.5
89.02453	1.0
103.12281	0.6
108.10278	0.6
109.02986	1.0
114.05624	1.6
117.01964	1.4
131.58423	0.6
132.71349	0.6
170.42570	0.5
173.04709	0.8
175.02457	1.3
193.44635	0.6
205.75865	0.5
218.02884	0.6
234.40508	0.5
329.30261	0.7
369.13388	1.1
369.23077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15901	1.1
54.86520	1.2
57.35805	1.2
59.01380	1.6
61.98834	100.0
64.31806	1.2
66.42844	1.1
69.54721	5.1
69.55131	3.0
89.02433	1.5
98.20741	1.5
109.02928	2.6
115.00393	2.0
115.07280	1.3
117.01991	2.0
123.04520	2.1
124.59434	1.2
156.16833	1.3
175.02480	2.1
175.10025	1.3
207.52702	1.2
220.00481	1.3
369.13239	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03443	5.0
59.01379	39.8
66.47663	1.4
67.01874	1.6
67.70742	1.4
68.99812	2.5
69.03452	1.8
69.12265	1.4
71.01382	28.3
71.05023	6.8
71.50394	1.6
72.99313	7.4
73.02950	79.6
74.03292	3.0
75.00873	24.2
83.01393	1.6
85.02947	30.1
87.00877	11.7
89.02465	9.3
93.03449	3.4
95.01398	8.0
99.00875	13.8
99.04526	3.6
100.07939	1.7
101.02440	4.4
103.00387	2.7
108.02187	8.3
111.00890	2.1
113.02454	32.2
115.00402	3.5
116.72326	1.6
117.01958	4.7
117.05581	71.9
118.05923	1.8
123.04533	4.3
129.01950	2.0
130.04953	1.6
149.02419	4.3
152.01160	11.0
160.04047	38.4
161.04408	42.3
162.04628	2.3
167.03488	24.0
168.03804	2.2
173.04518	3.9
175.02434	4.1
189.48213	1.6
193.01372	2.1
198.77846	1.5
205.03410	3.1
231.05074	5.7
249.06148	100.0
250.06488	4.6
323.09760	9.1
329.08719	1.7
349.11328	6.3
367.08554	8.3
367.12460	89.7
368.12787	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	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01387	0.9
61.98839	0.9
64.85070	0.5
65.56210	0.4
98.20678	0.9
133.06601	2.4
139.68227	0.4
149.09720	83.6
150.10065	5.1
189.12880	0.9
205.15971	87.6
206.16309	7.5
367.26422	100.0
368.26767	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	367.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91216	1.5
52.80581	1.4
57.03432	4.5
59.01381	93.8
60.42127	1.4
63.35526	1.4
65.24523	1.5
66.35201	1.4
68.99807	3.0
69.03458	1.6
71.01386	27.6
71.42378	1.8
72.99314	10.9
73.02956	14.0
75.00471	2.0
75.00873	25.1
83.01378	2.5
85.02955	33.9
87.00889	10.2
89.02460	11.6
93.03430	2.4
95.01403	7.4
99.00887	13.4
99.04524	2.0
101.02449	5.8
103.00383	3.3
106.16109	1.5
111.00859	1.8
113.01712	2.9
113.02451	39.4
115.00367	4.7
117.01949	5.3
117.05586	51.9
118.05924	1.8
121.02956	2.0
125.02445	1.7
129.01945	3.9
131.03349	1.5
149.02435	6.4
160.04033	6.4
161.04385	6.7
173.04495	1.9
175.02420	3.5
193.01424	5.8
205.07170	3.1
231.05119	5.0
249.06155	75.0
250.06522	3.8
267.07233	8.6
268.84232	1.7
309.08270	12.1
349.11417	6.3
351.33795	1.5
367.12427	100.0
368.12762	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75501	0.3
57.03452	0.4
59.01380	3.4
64.41438	0.3
65.44753	0.3
67.01892	1.0
67.22514	0.3
67.76955	0.3
69.03436	0.4
69.26037	0.8
69.26456	1.9
71.01381	1.4
72.99289	0.3
81.03456	0.7
83.01391	0.4
83.04990	0.4
83.38638	0.3
85.02950	16.3
87.00877	2.6
90.77775	0.3
93.03454	5.7
94.03822	0.3
95.38214	0.3
95.82999	0.3
99.00886	0.3
99.04541	0.5
105.03467	0.5
109.02955	1.0
111.00881	0.8
111.04504	1.0
117.03448	0.8
127.04013	3.8
132.02153	0.9
133.02953	26.7
134.03809	2.9
135.04526	17.9
135.05333	0.2
136.04846	0.9
137.02438	1.1
155.03473	0.9
160.54282	0.3
161.02437	100.0
162.02786	5.3
170.22282	0.3
173.04544	13.9
174.04831	0.5
178.02802	0.5
179.03506	2.3
180.03787	0.3
191.02039	0.3
193.05017	2.1
205.07166	0.4
367.10306	39.8
368.10648	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01374	1.7
66.17722	0.4
67.01891	5.1
69.03445	1.0
69.40570	2.4
69.40981	0.8
71.01382	3.8
79.37693	0.4
81.03468	1.0
83.05034	1.4
85.02927	0.6
87.00872	0.5
89.03956	0.9
93.03457	29.5
94.03785	1.3
109.02976	1.1
111.00879	1.0
111.04536	5.1
117.03484	2.4
127.04002	0.6
134.03737	22.6
135.04100	1.2
137.02458	4.3
137.27628	0.4
149.06082	1.1
155.03511	5.5
173.04543	100.0
174.04851	4.3
191.05620	0.9
193.05054	16.7
194.05457	0.6
359.63330	0.4
367.10352	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95362	0.3
51.08570	0.3
57.03445	0.6
59.01381	2.4
60.99298	0.4
63.52818	0.4
66.17359	0.3
67.01891	5.1
68.95518	0.3
69.03460	0.9
69.91240	1.7
71.01382	3.0
73.02944	0.4
81.03464	0.9
83.01417	0.4
83.05034	1.2
85.02951	1.5
87.00878	0.4
87.11818	0.3
89.86142	0.3
93.03457	27.7
94.03795	0.7
98.20559	0.4
99.04531	0.5
106.14236	0.3
109.02957	1.2
111.00873	1.0
111.04522	5.9
117.03455	1.8
127.04025	0.7
134.03743	25.2
135.04089	1.3
137.02454	3.7
143.81096	0.3
149.06062	1.9
155.03497	5.1
173.04546	100.0
174.04865	4.1
178.02744	0.5
191.05620	4.9
193.05052	15.6
194.05377	0.9
286.43277	0.3
294.54697	0.5
323.07919	0.5
367.10385	2.1
392.17566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57367	0.9
55.01871	1.8
57.03444	2.4
59.01381	40.7
60.01720	1.2
60.98360	0.9
61.98848	3.8
69.03419	1.0
69.17141	3.6
69.17567	4.4
71.01384	25.5
72.99288	1.6
73.02950	12.9
75.00895	0.9
81.03442	1.4
83.01392	6.1
85.02954	17.6
87.00878	3.1
89.02449	6.6
89.03986	1.9
93.03461	8.1
95.01395	1.7
99.00885	3.9
101.01795	1.5
101.02445	24.9
109.02943	1.9
111.00887	1.6
111.04517	4.3
113.02456	11.4
117.03478	6.6
119.04980	0.9
121.02982	1.5
123.00896	1.6
123.04542	4.5
125.02453	1.7
129.01930	1.3
131.03494	3.0
134.03752	100.0
135.04094	3.7
137.02431	1.5
139.00420	1.3
139.04082	1.1
141.02011	0.9
141.37885	0.8
143.03491	1.3
143.07047	1.1
146.76488	1.1
147.02997	1.2
149.02493	3.9
149.04599	0.8
149.06079	5.6
155.03487	3.7
159.03015	2.5
161.02480	1.8
161.04579	9.8
167.03491	20.8
168.03749	1.0
173.04558	16.4
175.04044	1.3
176.12689	0.9
191.01903	0.8
191.04036	0.8
191.05605	23.5
193.01366	2.7
193.05052	97.5
194.05412	6.3
203.31801	0.8
235.11871	46.2
236.12175	3.7
255.08636	0.8
265.12952	1.4
303.05093	0.9
329.08752	1.4
367.10464	5.3
367.16022	22.4
368.16544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
60.64727	1.0
61.18197	0.9
61.98833	100.0
66.41199	1.0
68.67593	1.0
69.35517	6.0
69.35931	2.0
89.02434	1.9
95.14349	0.9
96.17023	1.1
98.55644	1.2
125.02581	1.3
133.71008	1.1
173.00920	1.0
174.01674	1.2
185.67877	1.0
293.59204	1.2
306.12643	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03441	2.3
58.00591	1.6
59.01384	31.8
63.23729	0.7
69.47001	5.1
71.01385	15.0
72.99302	1.0
73.02946	1.9
80.62852	0.8
83.01390	1.7
85.02974	4.1
87.00842	1.1
89.02444	14.2
95.01387	1.3
97.34335	0.7
99.00891	0.7
101.02438	10.9
113.02446	6.1
113.09721	1.4
119.03506	4.9
119.82207	0.8
125.09740	0.8
127.11275	1.7
139.11244	0.8
155.10765	3.8
157.12338	14.3
158.12798	0.8
167.03580	0.8
171.13890	1.3
179.05551	1.2
182.36728	0.7
185.11792	2.4
187.13416	1.2
197.24800	0.8
198.45061	0.7
199.13268	1.6
203.12878	42.7
204.13173	1.9
217.10826	1.4
221.65379	0.6
245.13931	1.5
261.65448	0.8
265.08347	0.8
365.18146	100.0
366.18500	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	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.88254	0.2
59.01373	0.9
65.03863	0.2
69.26760	1.6
71.01404	0.9
71.05003	0.5
72.20927	0.2
73.02939	1.2
75.00887	0.3
85.02951	0.5
88.04041	3.2
89.02448	0.3
98.19724	0.2
113.02448	0.7
116.05066	3.5
117.05584	1.0
132.04532	0.3
146.08257	1.2
147.02998	0.3
159.03250	0.6
160.04036	100.0
161.04390	4.8
164.20003	0.2
167.03502	0.8
168.03786	0.3
204.03008	4.2
205.03319	0.3
218.10326	2.3
233.11548	0.3
233.13950	0.2
249.06180	1.3
366.08282	17.1
366.13794	1.8
367.08463	1.5
367.12137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07373	2.2
59.01377	34.5
70.73671	5.9
71.01394	13.3
85.02940	3.5
89.02435	9.9
92.05051	6.7
95.05029	2.5
100.70857	2.9
101.02446	4.9
104.05067	5.8
112.04050	13.7
113.02473	4.2
118.06659	12.8
119.06236	3.1
122.06110	9.4
123.03248	7.5
124.04064	16.3
124.07645	5.3
124.92908	2.3
134.06111	12.0
136.24648	2.4
138.05608	28.5
140.07211	3.1
145.62154	2.7
146.06097	19.9
148.04048	32.7
150.05611	17.7
152.07213	3.8
160.04030	5.9
161.04750	6.8
161.07155	9.1
162.05608	55.4
164.07178	5.5
166.08713	3.3
167.03502	4.5
177.37163	2.4
178.05089	100.0
179.03210	2.2
179.05403	7.4
180.06654	6.9
182.04514	5.3
184.06133	28.5
190.05055	4.1
191.05809	3.1
191.68773	2.5
200.10773	4.6
201.17178	2.5
212.07155	4.9
212.10831	3.4
224.10742	7.8
225.10472	3.9
230.11852	2.5
239.08099	2.8
241.13409	10.1
242.11887	22.4
243.11514	9.1
251.08203	3.4
252.08980	14.8
255.11354	5.8
260.12897	3.8
267.11374	56.0
268.11697	3.0
269.09552	3.4
270.10034	4.9
275.10324	3.5
285.12445	96.0
286.12830	7.6
303.13431	10.0
305.12393	3.8
311.10342	3.5
329.11395	87.8
329.15305	5.3
330.11700	8.3
347.12439	25.0
348.12747	2.7
353.94519	2.7
365.13666	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	364.9633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08075	0.4
59.01375	3.8
61.98829	100.0
63.99248	0.5
69.56776	2.8
71.39630	0.5
73.90005	0.4
78.91878	0.6
80.91689	1.0
87.07143	0.5
106.02700	0.4
130.05931	0.4
135.95682	0.9
157.11540	0.4
164.96284	0.7
175.36328	0.4
178.98468	0.9
180.94159	7.8
188.28076	0.5
203.02440	0.5
206.97438	4.7
219.97771	1.0
220.99745	2.1
222.95197	65.4
223.95276	1.0
223.97128	1.3
278.13586	0.5
322.95566	1.8
364.96182	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
54.10046	0.5
58.36304	0.4
59.01382	3.3
61.98814	1.3
66.88065	0.4
70.03010	0.4
71.01382	2.0
71.52179	0.6
73.02939	0.9
75.00880	0.4
75.60819	0.3
85.02955	1.0
89.02436	0.8
90.03505	0.8
93.03444	0.6
101.02427	0.8
106.06652	0.4
108.04529	0.4
113.02422	0.7
122.06133	1.1
132.04552	5.1
133.02977	0.5
135.04555	0.6
138.05635	1.0
145.02936	1.0
147.03325	0.7
147.04495	0.4
148.04039	0.5
150.05659	2.6
157.02983	0.6
158.03749	14.3
159.04526	6.5
162.05586	3.3
171.04517	2.5
173.02489	0.5
183.04523	0.5
184.05293	0.4
189.01064	0.5
189.07889	0.4
194.04582	0.8
201.01996	0.8
201.05571	2.6
202.02730	100.0
203.03180	9.7
204.10347	0.8
213.05569	2.9
217.07384	0.5
227.03561	0.4
231.06747	1.0
231.11362	1.2
233.15523	0.4
241.09824	1.2
243.11447	0.5
245.04517	1.2
271.10898	0.9
275.05658	2.2
275.10382	2.2
289.12027	5.0
290.12360	0.5
303.09845	0.9
327.41052	0.5
333.11002	4.3
334.11407	0.5
365.08789	47.1
365.18298	1.8
366.09061	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	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30572	4.6
52.69585	4.6
56.41703	4.7
61.98532	7.7
61.98832	100.0
71.00164	10.4
72.52716	5.2
72.89539	4.5
81.77499	4.3
95.46346	6.0
96.95975	16.8
104.74979	4.4
110.21622	5.0
163.02628	4.8
187.96239	5.2
248.27017	5.3
266.87497	5.7
365.16037	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	364.0973
Annotation	7-(2'-Hydroxy-3'-chloroprenyloxy)-4,8-dimethoxyfuroquinoline
Peak:m/z	Relative Intensity
50.19936	1.2
51.88604	1.3
57.03430	1.9
59.01382	38.5
61.98837	12.2
63.80302	1.4
69.60270	6.2
71.01385	17.7
72.99291	1.2
73.02937	5.9
74.02477	6.3
81.03452	3.1
83.01393	2.5
85.02966	6.8
87.00889	2.7
89.02444	8.5
95.01395	1.9
96.99905	1.5
97.04072	6.7
99.00873	1.8
101.02442	16.5
111.05644	6.0
113.02454	6.1
119.03497	3.4
119.05037	6.3
120.05354	5.0
123.01553	1.5
123.04519	22.0
123.05610	4.0
125.02420	4.0
126.03853	3.7
130.08685	2.2
133.02948	1.7
133.96301	1.4
135.04488	1.7
137.06212	1.5
137.07199	4.0
138.03886	2.7
149.02354	1.4
152.05359	2.1
159.02921	1.7
159.10252	2.0
160.04025	2.5
161.04626	6.3
161.05775	1.5
163.03934	6.3
164.04333	6.9
165.05574	2.4
167.03496	100.0
173.04633	1.9
178.06949	1.8
185.10829	2.1
185.19063	1.5
189.05026	1.5
190.05681	1.6
191.06512	2.0
192.08522	7.4
207.09663	1.4
210.04002	1.9
217.02905	1.6
219.09579	20.7
227.81879	1.3
245.07425	4.1
246.07091	4.8
261.09369	5.1
276.11734	71.2
277.12079	7.7
320.10669	15.4
321.10852	1.5
329.08759	11.8
364.09787	17.5
364.16467	4.8
365.10184	2.6
365.14243	2.2
365.18277	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19235	0.7
57.03459	0.9
59.01381	100.0
60.01725	1.4
63.94350	0.8
69.16621	1.2
69.17014	7.0
69.31195	0.8
69.40218	0.8
70.24200	0.7
71.01387	10.5
73.02944	6.4
75.00884	0.7
83.01414	1.1
85.02968	2.4
87.00893	0.9
89.02445	6.4
98.20632	1.9
101.02435	7.7
111.08180	1.2
113.02446	6.9
119.03533	2.7
131.03481	0.9
139.11307	15.9
142.06584	1.5
149.04538	0.7
161.04590	1.6
179.05743	0.8
181.84229	0.8
183.10274	7.8
184.10809	0.8
184.81328	0.7
193.60468	0.8
201.11325	39.0
202.11777	2.6
225.11440	1.4
229.14517	0.7
304.11990	5.5
322.12985	7.1
363.11655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46111	0.4
57.03445	0.9
58.00596	0.9
59.01381	13.6
71.01367	2.0
71.05010	0.7
71.07363	0.4
72.99302	0.9
73.02914	0.4
84.99299	0.6
85.02956	0.6
85.06590	1.7
87.00874	6.9
89.02449	2.1
99.08162	1.4
101.02438	1.4
103.00374	5.3
111.04546	0.7
112.98801	8.7
113.06053	0.5
113.09728	1.0
119.03469	0.7
130.99846	1.4
135.04530	0.5
141.12889	0.5
145.02921	0.5
149.00919	0.8
157.01402	0.4
173.04514	0.6
175.58002	0.5
185.15430	0.6
198.61212	0.4
201.11331	1.9
213.14981	2.4
226.05222	0.4
229.14442	1.5
231.16008	100.0
232.16373	7.9
262.37881	0.4
343.62469	0.4
363.12039	0.7
363.16544	9.6
363.23621	0.6
364.16980	1.3
373.30325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.9
60.01719	0.6
61.98829	100.0
66.90527	0.3
69.17641	2.8
69.18044	0.4
78.91892	0.3
98.19882	0.7
98.92504	0.4
136.40627	0.3
174.99194	1.1
176.98947	0.3
177.96767	0.8
178.98508	0.9
180.17293	0.3
201.02502	1.1
204.00011	4.0
204.02820	0.4
205.00079	0.5
217.00125	1.7
218.00569	2.4
219.00504	0.5
219.97736	46.9
220.97630	0.6
220.99712	2.0
277.96741	0.4
319.97778	0.8
331.00681	0.4
361.98700	3.0
362.99225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.8
70.41650	2.0
74.21847	1.1
98.12819	1.0
131.74631	0.9
138.78328	1.0
158.61073	0.9
198.09967	1.1
233.01979	0.9
279.23279	100.0
280.23645	10.2
291.36951	1.2
361.14981	1.3
361.23596	17.3
362.23795	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	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37830	19.6
58.50734	19.9
59.01380	100.0
111.69344	19.3
195.21628	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	361.1659
Annotation	Sauriol A
Peak:m/z	Relative Intensity
59.01359	1.8
62.60529	0.4
62.90754	0.4
67.99707	0.4
69.16045	4.4
71.01368	1.2
73.02943	0.6
80.76074	0.4
83.05010	0.4
85.02936	0.8
85.57578	0.4
87.04491	0.4
89.03994	0.4
93.03452	4.4
101.02456	0.7
108.02168	0.8
109.02226	0.6
109.02953	8.1
110.73696	0.4
111.00937	0.3
113.02374	0.4
119.05013	1.1
121.02956	30.7
122.03760	17.5
123.00835	0.4
123.04569	3.9
124.01653	2.3
125.02420	0.5
129.03439	1.9
134.03758	1.4
135.04532	3.6
136.01630	0.5
136.05275	1.6
137.02440	5.5
138.02898	0.5
146.03755	2.1
147.04532	12.3
148.05269	1.8
149.06145	2.2
150.03177	0.8
154.02702	4.1
159.04434	0.7
160.05334	0.9
161.06100	4.3
162.06813	0.8
163.03969	1.3
164.04782	1.2
165.05566	37.1
166.05873	1.7
173.06029	0.7
173.08121	0.4
175.07599	0.4
178.06270	0.7
179.07135	13.4
180.07761	1.5
191.07095	0.8
203.07121	0.5
208.64354	0.4
209.08131	1.5
223.09705	1.8
225.28090	0.4
257.86612	0.4
260.36182	0.5
264.92871	0.4
285.11362	0.9
298.12027	1.0
301.10846	0.6
313.14465	2.0
315.12411	4.6
316.13037	1.3
317.13901	0.4
331.15436	0.9
343.15384	1.3
345.13354	0.7
346.14215	10.9
347.14380	1.3
361.16519	100.0
362.16888	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	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01859	1.2
57.03431	3.5
59.01379	36.8
67.01900	1.5
69.94547	1.6
69.94958	3.6
71.01385	24.0
72.99313	4.1
73.02953	1.9
83.01394	2.1
83.05032	1.9
85.02957	7.2
87.00876	3.1
89.02441	14.4
93.03466	7.4
93.07098	8.3
94.03841	1.2
95.01427	1.2
95.05091	1.0
98.20575	1.1
101.02439	12.4
105.96519	0.9
109.02934	2.7
109.06585	1.6
111.04535	1.9
113.02438	7.6
117.22698	1.1
119.03487	6.8
119.05012	4.1
119.08672	22.6
120.09034	1.4
125.02457	1.3
131.03494	0.9
135.04532	1.8
135.08171	4.3
137.02397	1.7
137.09702	2.1
138.01978	3.2
139.02280	2.6
145.02968	1.8
153.09169	1.7
155.03503	1.7
161.04648	1.3
163.03972	6.7
163.07660	6.3
169.08670	1.1
173.04539	14.5
174.04956	1.5
179.05760	1.2
181.08701	21.5
182.09160	1.0
191.05602	6.0
199.09747	30.1
200.10165	1.2
229.08595	1.0
234.63358	0.9
246.28401	1.0
268.07053	1.1
330.06876	1.0
335.61462	1.1
356.05069	1.8
361.15033	100.0
362.15411	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	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06655	3.5
59.01378	47.3
61.98824	18.6
62.25322	3.1
67.01891	4.6
71.01385	29.6
71.51069	5.8
72.97511	4.4
73.02938	4.0
76.30427	3.3
81.03457	3.9
85.02956	16.3
89.02452	7.8
93.03458	32.5
95.01405	3.8
96.96973	5.1
99.00896	3.6
101.02447	8.5
104.31087	3.7
109.02951	18.4
111.04546	8.7
113.02454	12.7
119.03602	3.3
119.05018	6.9
121.02896	3.9
123.00883	100.0
123.04530	4.8
124.01662	10.2
125.02416	7.0
133.03030	3.9
135.04506	15.6
137.02438	24.4
137.06067	4.6
137.08046	4.1
138.03224	68.5
139.00400	6.8
139.04004	25.1
140.01193	3.9
143.03537	4.1
149.02423	7.3
151.04004	12.1
155.03481	4.8
159.04506	5.5
161.04541	16.5
163.04007	9.7
173.04532	72.9
174.04938	6.4
177.01920	7.4
179.03522	8.1
181.05060	7.5
191.05617	68.1
192.05733	4.0
259.06143	5.7
301.09259	36.4
346.05212	3.7
357.06210	4.9
361.07764	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	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32725	0.6
53.66544	0.5
57.03454	0.9
58.49546	0.5
59.01377	14.9
61.98835	0.8
67.01904	1.2
67.32100	0.6
69.27181	4.1
70.30428	0.5
71.01380	9.6
72.99301	2.0
81.03448	1.1
85.02964	4.8
87.00890	1.2
88.00803	0.7
88.04064	1.0
89.02450	6.3
93.03457	8.1
95.01390	0.7
95.05011	1.3
98.20739	0.6
101.02441	3.8
108.02145	0.8
108.04570	1.0
109.02970	4.1
111.04528	1.7
113.02440	3.1
114.05611	1.2
115.00381	1.2
119.03491	2.6
121.02905	0.6
121.05338	1.9
124.01671	1.1
125.02459	1.3
130.08662	0.7
133.03043	0.6
134.06114	1.7
135.04532	2.9
136.07686	47.7
137.02449	3.7
137.08084	1.1
147.04555	0.8
149.02455	1.2
149.06055	0.9
155.03474	1.9
161.06078	1.0
165.10397	1.0
166.08702	1.0
173.04550	17.3
174.04912	0.7
175.03877	0.7
177.77975	0.5
180.06657	100.0
181.01448	0.6
181.07010	4.9
191.05612	11.2
192.06001	0.6
197.04489	0.7
198.04774	0.7
209.09306	0.8
219.02991	1.4
220.08432	0.7
221.59720	0.6
227.10422	0.7
242.05766	1.5
243.06107	3.0
244.06938	1.0
251.01981	0.7
259.06116	1.4
269.08191	0.7
272.10123	3.6
274.05804	1.2
287.09222	0.9
322.99588	0.6
342.12167	2.7
357.06039	1.0
360.09448	0.7
360.13071	12.8
361.13025	0.7
375.07037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.3
61.98357	0.5
77.52029	0.4
94.59061	0.4
98.20715	1.2
100.79678	0.4
196.71368	0.5
233.22693	0.5
237.28593	0.4
245.58754	0.5
270.96490	0.5
275.20163	0.4
277.21707	100.0
278.22067	10.0
329.29132	0.4
359.15369	0.7
359.22028	16.7
360.22406	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	359.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22934	0.3
51.30318	0.3
55.13950	0.3
57.03430	1.3
59.01369	0.6
71.01031	0.7
82.90384	0.3
211.47827	0.3
243.16013	0.4
256.12808	0.3
271.22815	0.4
287.22256	2.6
290.59137	0.4
293.21381	0.5
311.25882	1.4
313.23822	7.8
314.24164	0.9
325.24023	0.4
341.26819	1.3
357.26422	0.8
359.28027	100.0
359.60049	0.4
360.28354	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	359.125
Annotation	Nitrendipine
Peak:m/z	Relative Intensity
59.01376	2.1
71.01391	0.8
83.45490	0.6
85.02975	0.7
86.32784	0.6
87.00898	0.7
92.05050	0.9
93.59109	0.6
97.36623	0.7
98.20683	1.4
109.02948	1.7
116.05062	3.3
122.06136	1.7
125.02481	3.0
132.04536	1.8
133.54015	0.7
134.06137	1.5
135.04553	1.0
144.04561	1.4
160.04039	100.0
161.02516	0.6
161.03143	0.7
161.04362	5.5
162.05679	0.7
175.06310	2.9
176.07182	5.5
178.05090	0.7
179.03508	0.8
189.04192	1.7
206.04543	2.4
207.05307	3.7
218.04749	0.7
219.05351	37.2
220.06071	7.4
221.06242	0.8
250.03519	1.3
251.04349	31.7
252.04649	1.8
253.09837	1.0
254.34268	0.6
285.12424	2.7
297.12415	5.2
311.05774	0.8
311.48508	0.6
313.10593	0.6
329.11380	15.8
330.11603	1.5
341.11414	64.0
342.11588	6.4
344.12518	1.0
352.35712	0.8
359.12430	36.1
360.12695	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	359.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98810	0.8
70.98515	1.6
71.01347	0.8
83.34143	0.7
88.14621	0.6
104.48386	0.6
105.07082	0.6
107.05048	1.3
108.02154	1.8
108.74192	0.6
109.02969	0.8
121.02959	1.3
121.06580	1.8
122.03767	1.3
123.04515	3.8
135.04523	27.8
136.04851	1.1
137.02443	1.1
142.06635	0.8
147.04494	1.0
149.02426	1.9
149.06082	10.1
150.03215	7.8
151.03818	0.9
153.01897	0.6
153.05896	0.8
163.04027	2.4
163.45047	0.7
164.04802	1.3
165.05559	3.7
166.02710	0.8
166.06410	0.9
167.06139	2.4
169.07721	5.6
179.07123	23.2
180.07913	65.2
181.08258	3.5
182.05862	1.7
183.13879	0.8
192.07983	1.1
193.07668	0.9
194.05859	4.4
194.09453	3.5
195.05666	1.6
195.10263	7.4
208.07397	15.7
209.07684	0.9
212.06912	4.2
213.06714	3.9
221.08092	0.9
222.08932	1.6
223.09747	100.0
224.10129	6.0
226.08470	6.4
227.08513	1.0
227.12892	1.8
235.09624	1.1
237.06650	1.7
243.16078	2.4
255.07690	1.2
269.08188	1.3
299.06778	4.7
300.10120	2.0
311.09277	1.5
316.13129	1.9
326.11514	2.4
331.15347	4.3
341.13989	1.3
359.15091	9.9
359.24399	11.0
359.28287	0.4
360.24826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1247
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
52.14832	1.2
59.01375	11.6
71.01368	7.3
71.50914	2.1
72.00900	13.8
72.08836	1.2
72.99305	28.3
73.02982	1.4
74.02486	1.6
81.03487	1.3
85.02967	5.3
87.00880	1.2
89.02466	5.1
93.03473	4.0
97.06635	3.8
101.02453	2.4
107.05013	1.5
108.02179	6.0
109.02943	19.9
109.03606	1.7
111.84265	1.2
113.02509	1.5
113.37701	1.2
114.05619	3.6
115.00392	2.4
119.03537	1.2
121.02996	4.2
123.00916	2.8
123.04524	14.9
133.02994	1.6
134.03745	4.6
135.04527	36.8
135.05515	2.0
136.04861	2.1
136.07680	13.7
137.02457	2.2
138.03246	2.1
145.03009	2.2
146.03792	1.7
147.04475	1.6
148.05360	1.6
149.06105	5.5
151.04034	1.4
153.05569	4.6
161.02486	1.5
161.06146	3.8
162.03247	1.7
168.00674	1.5
173.04539	9.8
177.05615	1.9
179.03496	23.2
180.06657	30.6
181.06682	1.6
182.02258	1.9
185.04590	2.0
191.05693	4.2
193.06537	9.4
196.28452	1.3
197.04530	47.6
198.04968	3.5
207.08156	7.4
209.06206	2.9
211.07706	4.3
219.08145	17.1
220.08705	1.5
223.07730	5.0
224.08395	8.5
225.09213	9.3
234.09264	2.9
235.07672	2.2
236.10828	1.8
237.05647	1.7
237.09200	29.7
238.09634	2.2
239.09529	1.6
240.10326	2.7
241.05193	2.0
241.11183	2.2
242.05846	21.0
242.08224	1.7
243.06610	7.2
252.10269	8.1
253.08749	3.2
254.08209	2.7
254.11894	8.8
255.12334	1.5
256.07455	8.6
263.07120	8.0
264.07541	1.4
267.09293	1.3
268.07391	1.9
268.09918	2.2
271.09772	33.2
272.10056	3.6
273.10107	3.2
280.09747	10.6
281.08087	13.2
282.08578	1.8
285.10330	1.4
296.09390	2.9
298.10870	8.5
299.07993	1.6
300.06332	2.0
313.11853	6.7
314.10275	2.3
315.13602	2.4
317.09113	3.6
324.08835	9.5
341.11407	48.7
341.15329	2.5
342.10043	4.7
342.12366	1.6
355.04675	1.4
359.12668	100.0
360.12869	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	359.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33412	0.3
59.01377	2.0
70.21128	0.8
70.21512	0.5
71.01390	1.5
85.02959	1.1
89.02460	1.1
93.03432	0.6
96.89663	0.3
101.02436	0.8
107.05045	0.8
108.02184	0.4
109.02940	1.2
111.00877	0.4
113.02454	0.6
119.03532	0.6
121.01216	0.3
123.04531	14.5
124.04855	0.8
125.02467	1.0
134.03751	1.4
135.04527	100.0
136.04866	4.9
138.03177	0.3
139.04037	0.9
149.02440	1.8
153.01944	1.5
153.05574	18.5
154.02211	0.3
154.05927	0.8
167.03523	3.0
173.04524	1.0
180.03038	0.4
185.04469	0.4
191.05589	0.7
197.04539	2.0
209.95245	0.4
242.05893	1.1
243.06575	0.4
271.09729	1.5
297.09726	3.1
298.79416	0.3
329.08771	2.7
359.06119	0.9
359.09720	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	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.53688	0.7
58.90674	0.7
59.01370	1.0
71.01390	2.0
71.08079	1.5
73.02957	0.7
82.47955	0.7
86.51437	0.7
93.03421	1.3
95.01382	3.6
108.02184	4.4
109.02960	10.8
115.00320	1.4
118.15211	0.7
121.02958	1.3
123.00892	39.9
123.04542	1.4
124.01208	2.0
133.02979	1.0
135.04536	2.6
137.02446	2.1
138.03235	51.9
139.03566	2.2
149.06102	1.8
152.04826	2.4
153.02014	0.8
153.05580	20.4
154.05948	1.1
161.06085	2.6
163.07625	0.8
166.99863	11.0
173.04544	2.3
182.02209	36.9
183.02553	2.3
191.05620	1.7
197.04558	100.0
198.04900	6.6
241.04979	1.4
242.05817	11.7
243.06573	4.4
244.77962	0.8
271.09766	20.2
272.10095	2.0
338.14761	0.8
346.66452	0.9
359.10049	1.3
360.09525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	85.1
60.01720	0.9
61.98828	1.8
70.07796	0.8
70.08200	0.5
72.42144	0.3
72.99322	0.9
90.97141	0.9
118.96671	0.7
119.17162	0.3
132.98227	1.9
157.03580	2.8
159.01521	0.7
174.99258	20.1
201.02568	24.8
202.02660	2.1
217.00304	100.0
217.97823	0.4
217.98412	0.4
218.00580	3.2
274.99664	0.9
305.86459	0.4
317.00696	1.3
342.36591	0.4
359.01599	6.0
360.01981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.077
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81218	1.5
70.81570	1.0
71.01381	3.1
74.02464	1.3
93.03448	1.7
98.02453	1.1
98.31850	0.7
98.83998	0.7
106.04234	0.8
108.02174	20.3
109.02956	49.9
110.03281	1.1
115.00372	5.9
121.02954	6.8
122.03728	1.4
123.04523	4.2
124.01610	1.2
128.93590	0.7
133.02991	4.4
135.04538	6.6
137.02432	0.8
146.03716	1.5
147.04541	2.5
148.05287	4.1
149.06085	8.4
161.06082	17.8
162.06706	1.8
163.07661	3.5
175.03993	1.0
176.04709	1.2
177.05467	1.1
185.06056	1.6
187.54637	0.8
197.06091	1.0
213.05586	4.4
214.06186	1.0
225.05548	1.0
226.06335	2.5
241.05063	6.1
242.05846	62.6
243.06544	17.1
269.08142	1.5
271.09750	100.0
272.10031	7.3
311.82971	0.8
337.31531	0.8
359.07553	8.8
360.08179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94928	1.0
55.01891	1.0
58.02986	1.8
59.01374	3.1
66.88934	0.9
67.01886	3.3
70.02991	1.6
71.01417	1.2
72.00902	3.7
74.02476	100.0
75.02811	1.4
76.33782	0.9
82.02978	3.6
82.06625	4.4
83.01366	2.0
98.02478	85.0
99.00861	3.3
99.02814	2.4
100.00414	4.8
107.56363	1.2
109.02937	1.3
111.03277	1.6
112.02789	1.7
112.04041	3.1
112.07641	1.7
116.03534	3.1
118.05103	14.4
120.01246	1.5
122.09687	1.1
125.03590	6.4
126.09252	1.4
130.08763	1.4
134.03709	2.0
135.04092	1.5
137.02328	1.1
139.08804	5.2
140.07159	5.0
140.10797	1.2
141.10335	4.3
143.04622	4.1
150.09227	2.9
154.08777	1.3
164.10799	2.4
166.08730	2.3
168.10272	10.9
169.09811	5.4
170.08189	1.1
173.04562	1.1
179.03387	1.3
179.11952	2.1
181.09790	1.3
181.13472	1.7
185.09308	1.6
189.10243	1.4
193.05043	1.9
194.05455	2.6
194.08208	15.8
195.05583	1.9
195.08482	1.3
196.05835	2.8
207.11369	16.0
212.09264	5.7
225.12413	11.3
251.10352	1.2
252.44551	1.2
257.11435	8.6
269.11411	72.8
270.11835	3.4
296.12677	1.5
313.14063	19.8
314.13559	23.0
358.16165	42.8
359.16333	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	358.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98817	0.5
69.58141	1.5
69.58549	1.0
71.01395	2.1
85.02943	1.6
89.02428	0.6
95.01433	0.9
97.36994	0.5
98.19932	0.9
101.02438	1.2
108.08195	100.0
109.02967	2.4
109.08524	3.9
113.02472	2.2
120.08206	2.1
123.04521	0.7
124.04092	0.5
125.02456	0.8
130.07910	0.4
130.08733	2.7
132.08168	2.3
134.06116	0.9
135.04520	0.7
136.07768	0.5
143.11909	1.4
147.03181	0.4
147.51820	0.4
148.07678	2.4
152.07170	77.7
153.07547	3.7
159.04500	0.8
161.02400	0.5
162.15137	0.5
164.07158	1.1
166.08727	17.1
167.09042	1.1
176.07161	1.1
180.07968	0.6
189.05547	0.7
190.53267	0.4
194.08226	10.0
195.08415	0.5
196.06143	58.1
197.06500	3.2
203.07130	0.5
223.09624	0.7
238.07156	9.8
239.07582	0.5
240.04297	0.9
241.05040	1.1
242.18698	2.6
255.06529	1.1
268.08243	0.5
280.08151	0.6
296.09329	0.7
298.04254	0.6
298.09329	5.4
299.09262	1.5
313.10904	0.7
322.61807	0.5
328.18823	3.6
329.10333	0.5
344.12473	2.5
358.06348	2.1
358.11319	6.6
358.19839	0.8
359.15137	5.5
359.20242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01381	19.7
64.55003	0.6
64.77836	0.6
65.61617	0.6
69.58628	3.9
71.01373	2.1
75.72620	0.7
85.02953	0.9
87.00869	1.3
95.05035	1.7
101.02458	1.0
104.75364	0.6
108.02163	1.5
109.02946	0.8
113.02397	0.6
119.04995	1.7
121.02969	2.4
123.04514	2.4
124.01666	0.7
125.02464	0.7
134.03740	0.7
135.04520	7.8
136.05313	12.4
139.04019	0.8
143.45155	0.6
147.21411	0.6
147.51122	0.6
150.03270	0.8
150.06943	0.7
151.03993	2.0
151.07639	2.6
157.81558	0.6
173.04445	0.6
177.05653	1.1
177.09218	0.6
183.03014	2.1
195.06622	100.0
196.06964	5.7
217.56062	0.6
249.32744	0.6
266.89056	0.6
299.04202	0.7
357.11578	1.2
357.15625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76980	0.5
57.03451	0.7
59.01385	7.2
61.98845	0.5
68.96641	0.5
69.39657	3.0
71.01390	6.8
73.02942	2.7
73.94546	0.5
83.01395	1.4
85.02959	3.9
87.00879	0.8
89.02460	1.2
93.03456	1.9
95.01373	0.7
95.05039	1.3
99.00875	1.7
99.04524	1.8
101.02451	5.1
108.02173	7.6
109.02967	5.3
110.03304	0.5
111.80448	0.5
113.02474	4.6
114.01969	0.9
115.88711	0.5
117.30721	0.6
121.02950	0.7
123.04508	3.2
125.02457	2.2
129.01886	0.5
131.04651	0.6
134.03769	0.9
135.04541	18.7
136.05240	1.9
137.02432	0.8
137.05132	0.6
137.06100	2.2
139.04042	0.7
143.03520	0.7
147.04578	0.6
149.06096	2.1
150.06871	100.0
151.04019	1.1
151.07277	6.0
152.01167	5.3
153.01996	2.5
158.85884	0.5
159.03041	1.4
159.04485	1.0
161.04559	6.4
163.04015	0.6
165.05588	3.3
165.09198	0.6
167.03535	1.2
173.04588	0.9
175.05029	0.7
178.05052	0.8
178.06389	0.9
179.03499	0.7
180.03860	0.6
181.03949	0.6
182.13049	0.9
183.02930	1.0
191.03622	0.7
191.05447	0.5
193.05089	0.8
193.08733	4.8
194.05887	0.5
195.03026	0.9
195.05077	1.0
195.06677	1.2
200.14066	0.6
205.08647	0.9
242.15018	1.1
243.06694	1.4
251.07133	0.6
267.06796	0.6
268.07303	0.6
269.08127	3.3
357.08176	4.8
357.11978	8.4
358.12256	0.7
365.83505	0.6
375.78329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.9
57.03434	2.9
58.00597	2.0
59.01106	2.8
59.01381	30.4
59.76479	1.6
62.47033	1.7
66.93715	1.6
70.59415	1.5
71.01387	29.9
71.50419	1.9
71.50794	1.9
72.81574	1.8
72.99311	2.7
73.02949	11.1
75.00881	5.2
78.95905	6.5
83.01391	9.4
85.02957	25.7
86.00117	1.9
87.00880	3.7
89.02442	3.2
93.03486	3.3
95.01397	3.4
96.96964	4.5
99.00922	3.7
101.02444	16.9
107.05036	15.2
108.02179	1.6
109.02914	2.9
111.00867	2.5
113.02438	8.9
121.02967	5.6
123.04519	3.1
129.01918	2.7
134.03725	2.5
135.04549	8.2
137.02440	2.5
138.05618	1.9
139.03996	2.1
144.11096	1.9
147.04517	3.8
149.02444	7.0
149.06020	2.1
150.03210	5.1
150.06824	3.9
151.04015	45.8
159.03014	2.3
162.03122	1.9
164.04791	4.6
164.07137	2.9
165.05559	11.4
173.04570	8.3
174.04910	2.1
180.04306	2.5
195.02980	6.4
195.05107	12.0
195.06673	6.1
313.09280	100.0
314.09644	5.7
357.08246	48.2
357.12259	2.7
358.08841	4.1
373.58151	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28685	5.3
54.80360	4.3
61.98830	100.0
66.52931	4.3
69.84229	26.3
70.67030	4.5
121.02959	9.8
129.31377	4.4
135.30609	4.9
246.70714	4.9
253.81227	5.1
357.06113	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	356.1715
Annotation	3'-Acetylindicine N-oxide
Peak:m/z	Relative Intensity
57.03446	1.2
58.02970	1.5
59.01379	2.4
62.39441	0.6
70.06338	0.6
70.39095	1.5
71.01408	0.8
74.02478	1.4
82.02997	1.0
84.04541	4.3
85.02969	0.8
90.76634	0.5
91.77943	0.5
96.40834	0.5
98.56104	0.6
100.07691	3.4
102.05611	56.1
103.05933	1.1
109.02943	0.7
111.03281	0.6
128.03539	100.0
129.03908	2.9
133.02942	0.8
146.04593	11.2
165.12843	11.4
166.13214	0.7
175.03922	0.7
182.15495	1.1
183.13893	34.8
184.14232	2.0
209.11823	2.1
222.18646	2.0
224.20200	1.5
227.12883	33.6
228.13211	2.2
250.18094	4.2
268.19168	3.8
276.16058	1.0
294.17044	1.8
297.03967	1.1
312.18124	1.7
320.14828	1.1
338.16095	10.6
339.16367	0.8
356.17114	76.9
357.06134	4.4
357.17471	7.2
357.26489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79283	0.4
59.01383	2.1
71.01404	2.1
72.99310	0.6
85.02939	0.9
89.02480	0.6
91.20499	0.3
101.02465	0.5
104.05094	0.9
106.06636	100.0
107.06976	3.3
109.02953	0.6
113.02458	1.8
115.85044	0.4
118.06650	3.6
120.08229	0.5
127.75282	0.4
130.08760	2.6
133.02966	1.4
135.04572	0.8
146.06134	0.6
150.05618	87.9
151.05965	4.1
161.02495	0.6
162.05629	0.5
163.00392	0.5
164.07173	13.8
178.99870	0.4
192.06685	10.7
193.06981	0.7
194.04602	13.5
195.04939	0.6
199.18057	0.5
225.15950	0.4
236.05615	1.3
268.03485	0.5
285.04047	1.5
291.08981	0.4
293.01163	0.4
296.07791	1.4
297.04181	2.3
298.04776	1.0
299.05582	1.0
311.05576	0.8
311.50357	0.4
339.05280	0.9
356.09836	5.7
356.25558	2.6
357.06155	8.7
357.10178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0987
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01380	2.7
69.49467	0.8
69.49873	1.4
71.01383	1.7
74.45192	0.4
85.02953	1.0
85.43099	0.3
85.61711	0.3
87.00862	0.4
89.02486	0.7
101.02441	0.3
106.06631	100.0
107.06966	4.2
108.08198	5.5
113.02464	1.2
118.06622	0.8
120.08195	0.6
126.05545	0.3
130.03941	0.3
130.06630	0.9
130.08746	0.8
131.03764	1.4
132.04486	0.4
133.02957	0.9
134.06125	0.6
135.04518	1.0
146.06070	0.5
150.05611	57.7
151.05991	1.9
152.90060	0.4
154.38042	0.3
162.05653	0.5
164.07166	10.2
165.07489	0.7
174.05533	1.1
175.04002	0.4
192.06670	7.3
193.07065	0.4
194.04581	29.8
195.05057	1.9
236.05681	4.7
237.05920	0.5
285.04099	0.4
296.07806	3.2
297.04010	1.4
298.04782	0.8
299.05649	0.5
339.04752	0.4
356.09863	7.9
356.25595	1.1
357.06152	5.0
357.10272	1.1
357.14749	0.4
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
57.17714	1.1
57.94696	1.1
59.01375	1.1
61.19546	0.9
61.98788	1.1
63.35266	1.2
66.01965	0.9
71.01445	0.9
74.21141	0.9
85.02941	1.9
85.39229	0.9
90.05884	1.0
107.05036	1.2
109.02916	2.1
118.32860	1.0
122.03735	9.2
127.07613	1.6
135.04529	25.8
136.01619	2.3
136.04854	1.2
141.36156	0.9
147.08133	2.7
149.06090	2.5
149.09724	6.6
151.07635	2.3
154.02698	2.1
161.09721	7.8
163.07635	3.8
163.11290	55.2
164.08446	15.4
164.11594	2.6
165.09248	6.0
174.85648	1.0
177.09210	63.0
178.09969	18.3
179.10770	81.2
180.11069	4.3
183.10231	1.2
187.11237	1.6
191.10777	12.6
192.11157	1.2
193.08646	7.3
197.44508	1.2
229.29642	1.1
280.14642	2.7
298.15723	48.7
299.16043	5.1
322.19348	1.3
337.17676	2.3
337.21735	44.7
338.22049	6.7
340.16138	2.0
340.20410	76.0
341.20764	12.0
355.22797	100.0
356.23154	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01373	1.2
71.51900	1.0
73.06033	1.0
85.99469	1.0
128.71117	0.9
128.72755	1.1
142.79720	0.9
163.11282	3.0
265.12402	2.0
280.14691	6.3
307.16904	2.6
321.18768	2.0
322.19284	2.9
337.21729	100.0
338.22031	13.8
354.18634	1.0
355.19208	1.4
355.28308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1876
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
58.02983	7.1
59.01365	3.5
67.03012	0.8
67.12024	0.8
69.29851	4.3
69.30264	2.3
71.01367	1.5
72.99313	0.9
74.02467	2.0
82.02989	2.1
83.06149	2.3
84.04559	5.6
85.02939	1.2
93.03430	1.4
98.02468	1.2
101.07206	8.0
107.02528	1.2
109.02954	0.8
109.04092	7.1
122.76009	0.8
125.03561	2.7
125.07178	1.0
127.05146	61.7
128.03549	24.1
128.05501	1.8
131.40126	0.8
135.04507	1.1
145.06198	43.7
165.12866	16.2
179.03458	0.9
182.15532	8.7
183.13797	1.2
189.02022	0.9
202.70764	0.8
209.11790	2.7
210.14957	2.2
222.15004	1.3
223.13405	1.5
225.36800	0.7
227.12881	1.2
235.02451	1.3
237.14966	2.7
249.19724	20.2
250.20149	1.8
268.83505	0.7
293.18762	6.1
311.19690	5.9
319.16669	0.8
337.17694	20.0
338.18073	1.8
355.18738	100.0
356.19135	7.8
363.44724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.03421	0.6
59.01379	8.7
60.84758	0.6
68.44961	0.6
69.69677	3.8
71.01380	4.7
85.02941	1.7
89.02452	2.5
93.03440	1.5
98.19857	0.8
101.02437	2.1
113.02453	2.0
119.03421	1.1
122.75646	0.7
132.02173	13.9
133.02948	1.0
134.03749	8.1
135.04514	1.4
143.03334	0.6
148.05287	0.7
149.06068	2.0
151.03993	2.0
160.01660	61.6
161.02020	2.2
173.04555	1.9
174.04938	1.0
175.03999	100.0
176.04358	6.1
177.53777	0.7
178.02805	0.7
178.49968	0.7
189.49945	0.7
191.07114	2.0
193.01447	0.7
193.05023	15.4
202.02597	0.7
217.05078	6.1
235.06117	4.0
265.07156	1.0
295.08276	2.2
316.04419	0.8
355.04926	0.8
355.10291	6.2
355.13745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01378	3.0
68.64365	0.9
70.29136	3.5
71.01378	1.7
72.11553	0.8
85.02986	0.9
85.30791	0.9
90.98998	0.8
93.03458	0.8
104.64141	0.8
109.02946	0.8
118.10065	0.8
121.02960	1.9
132.02156	4.3
133.02972	1.8
134.03749	65.6
135.04077	2.9
137.02473	6.7
139.04002	2.0
149.06090	15.6
150.03140	1.0
160.01685	17.0
169.29631	0.9
175.04007	26.6
176.04411	1.6
178.02721	36.6
179.03065	1.8
191.05569	2.3
191.07179	0.9
193.05046	100.0
194.05426	5.1
217.05077	1.9
235.06177	1.7
295.08069	1.4
355.10291	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	355.1032
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.88531	0.5
51.38816	0.5
52.08228	0.5
59.01381	7.6
71.01376	4.3
71.08885	0.9
71.09235	0.5
72.99299	0.6
78.09184	0.6
78.14734	0.5
89.02443	4.1
90.63615	0.5
101.02441	1.3
113.02441	1.7
119.03477	0.7
132.02171	13.3
134.03717	8.1
146.11586	0.6
147.04494	0.9
149.06102	2.2
160.01659	63.1
161.01973	2.4
175.03995	100.0
176.04321	5.3
183.69431	0.6
191.07114	1.9
193.05034	16.7
202.02606	0.7
205.91188	0.6
217.05051	5.2
235.06017	2.8
295.08252	2.1
355.10263	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88522	1.1
57.02262	1.2
57.03439	3.0
59.01385	4.0
60.01678	1.2
67.01880	3.6
70.10222	5.3
71.01386	6.6
73.73533	1.1
80.72233	1.2
81.03492	1.3
85.02954	21.8
86.03289	2.3
87.00888	1.7
87.03395	1.5
93.03461	23.6
94.03793	6.7
109.02944	3.0
111.04524	4.7
112.04861	1.8
119.05048	1.6
127.05212	1.2
133.01385	1.5
133.02960	2.2
134.03751	100.0
135.04562	37.1
136.04871	19.6
137.02457	6.3
137.05035	14.3
138.02847	1.2
138.21510	1.5
140.73750	1.5
149.06085	27.3
150.06480	2.1
155.03496	3.7
157.03911	1.3
161.02455	2.0
163.03036	1.8
173.04559	42.9
173.06059	2.5
174.04895	29.0
175.05019	37.9
176.05212	1.5
178.02725	17.0
179.03525	24.3
180.03862	14.0
181.04004	22.1
183.08072	1.4
191.01926	3.3
191.05635	21.9
192.05956	13.3
193.01366	2.1
193.04903	71.5
194.05386	5.0
209.03058	10.1
211.07753	2.2
224.04735	1.6
239.07132	4.0
267.06607	5.4
355.09488	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	355.0822
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
56.86081	1.8
59.01368	1.9
63.84340	1.4
69.57954	1.5
71.01377	3.2
71.51283	1.5
84.80051	1.4
85.02942	2.3
89.02450	1.8
101.02429	1.6
108.08220	2.6
119.05032	20.2
121.02957	98.0
122.03226	2.7
127.41490	1.5
129.00789	1.4
130.89571	1.3
135.04469	1.9
136.07715	9.8
146.78680	1.3
153.66550	1.4
162.03201	2.4
162.05626	5.8
163.03978	13.8
181.06631	4.0
193.04993	1.9
197.61389	2.1
216.97231	1.5
225.05627	1.8
235.02502	2.4
311.09247	100.0
312.09570	11.7
355.08362	44.9
355.12823	9.0
355.25085	2.6
356.08466	6.1
356.12650	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
70.72926	0.6
79.95734	0.3
87.81380	0.2
93.03423	0.3
96.96025	2.5
97.89169	0.3
135.04518	0.8
147.08214	0.5
155.10847	0.3
162.06787	0.3
163.11288	97.5
164.11618	6.6
169.12949	0.3
173.04539	1.0
175.72874	0.3
177.09209	73.1
178.09554	5.0
179.03535	0.5
191.05621	0.9
192.56270	0.3
194.05865	0.3
222.08911	0.6
291.35126	0.3
315.12802	0.3
353.21204	100.0
354.21579	14.8
361.54849	0.3
378.96011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95023	1.8
57.03440	2.0
58.00580	1.8
59.01379	43.9
61.98838	1.8
67.01893	3.8
71.01373	4.7
72.98272	1.7
72.99299	5.9
85.02934	8.9
87.00873	32.0
93.03456	23.3
96.96011	5.6
98.20641	4.2
98.95581	3.7
103.00376	18.1
111.04519	3.9
112.98811	41.6
127.04014	1.9
129.05293	1.7
130.99831	3.1
134.03786	2.6
135.03493	3.3
135.04521	60.6
136.04872	3.1
137.02440	5.5
149.00836	1.9
155.03470	4.1
161.02455	5.4
173.04546	71.6
174.04907	4.3
179.03500	54.1
180.03833	4.1
189.00461	1.5
191.05603	50.6
197.04866	1.9
220.14670	7.7
221.15456	100.0
222.15788	10.0
222.62090	1.6
236.10599	11.1
293.17606	2.8
335.12164	2.0
353.08701	6.8
353.13300	8.3
353.17383	1.6
353.19064	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	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03444	0.6
59.01387	1.9
67.01894	3.2
69.03472	0.6
71.01389	2.3
73.66213	0.3
81.03462	0.9
83.05040	0.9
85.02958	6.9
87.00888	1.7
93.03465	21.5
94.03775	0.3
99.04534	0.4
105.03478	0.3
107.05032	1.2
109.02967	1.2
111.00859	0.6
111.04514	3.3
113.02393	0.4
117.03496	0.4
127.04010	1.1
133.02939	1.1
134.03751	3.0
135.04530	57.0
136.04826	2.2
137.02467	4.6
145.93367	0.3
151.57335	0.3
155.03490	5.5
161.02473	3.2
173.04552	100.0
174.04913	4.0
179.03503	70.1
180.03818	3.3
191.05618	42.5
192.05908	1.6
244.94136	0.3
293.74744	0.3
342.96127	0.3
353.08762	11.6
354.09058	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	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.59410	0.4
57.03436	0.5
59.01375	1.1
67.01884	0.5
70.58401	0.4
70.80376	0.6
70.80688	0.4
71.01379	1.1
73.02982	0.5
78.74419	0.4
81.03476	0.8
83.05022	0.7
85.02948	8.5
87.00868	2.0
91.05581	0.6
93.03454	6.1
104.60444	0.4
106.04252	0.4
107.05019	1.3
109.02959	1.4
111.00816	0.4
111.04501	2.5
113.02421	0.4
117.03441	0.7
122.65913	0.3
127.04019	2.1
133.02962	1.7
134.03757	6.3
135.04526	60.3
136.04861	3.4
137.02420	1.0
155.03429	1.8
161.02414	4.3
171.03008	0.7
173.04526	8.7
179.03494	56.2
180.03795	3.2
191.05606	100.0
192.05948	3.5
242.05922	0.5
243.06601	0.9
244.06720	0.8
271.09637	0.7
276.92899	1.0
353.05136	0.6
353.08774	13.0
354.09100	1.1
359.07751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72231	0.6
57.03460	0.7
59.01365	3.0
60.41514	0.6
67.01892	5.8
69.03451	0.7
70.83804	1.9
71.01376	3.2
81.03465	1.4
83.05030	1.2
85.02948	8.4
87.00877	1.8
93.02863	1.5
93.03454	25.7
101.43318	0.6
109.02950	2.3
111.00900	1.4
111.04503	6.5
113.02517	0.8
127.03983	2.7
133.02977	2.2
134.03746	3.5
135.04523	73.6
136.04875	1.3
137.02455	5.5
154.23172	0.7
155.03455	6.7
161.02449	4.2
171.03076	1.0
173.04541	100.0
174.04825	3.2
178.95200	0.7
179.03491	66.2
180.03853	2.5
191.05600	57.0
201.59024	0.7
242.05878	1.1
243.06340	0.9
244.06624	3.2
260.39334	0.8
266.17639	0.8
271.09711	2.2
303.74869	0.7
306.06042	0.7
353.08691	13.6
354.09155	0.8
359.08276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81103	3.9
55.85217	4.1
59.01367	11.3
61.98818	6.6
67.01884	4.6
68.95934	4.4
71.27977	3.8
72.86360	4.7
83.04972	4.9
85.02934	12.4
93.03461	26.1
130.30286	4.3
135.04527	88.6
137.02426	5.8
140.81119	5.3
155.03448	5.3
156.97928	6.0
161.02461	5.4
173.04552	100.0
179.03497	61.8
183.01134	21.9
191.05606	63.1
191.07191	7.9
208.61555	5.3
215.23151	4.4
330.00330	5.3
353.08820	10.3
353.17929	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
60.99326	1.0
67.01880	4.2
69.03432	1.2
70.82582	2.0
71.01372	1.6
79.37210	0.7
81.03447	1.4
83.05018	0.9
85.02943	6.0
87.00890	1.2
93.03460	19.7
94.03824	0.8
109.02988	1.4
111.04517	5.2
121.65134	0.8
125.83247	0.9
127.04010	1.4
128.16676	0.8
133.02940	1.9
134.03709	3.0
135.04529	54.3
136.04855	2.2
137.02486	4.6
155.03479	6.2
161.02432	3.5
173.04546	100.0
174.04910	4.1
179.03499	63.8
180.03789	4.0
191.05605	42.5
192.05957	1.7
199.17540	0.8
243.06569	1.1
264.08408	0.9
353.08752	13.2
354.08865	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	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.0
59.01374	5.2
61.98829	100.0
67.01883	4.8
68.37351	1.5
69.78700	8.3
71.01377	4.3
71.95554	1.8
81.02635	1.5
85.02952	11.4
87.00844	2.7
89.02474	1.4
89.45067	1.5
91.64295	1.7
93.03458	22.2
99.00891	2.0
101.06082	9.4
102.06394	4.4
109.02946	1.8
111.04510	3.6
113.02438	1.6
123.91711	1.5
127.03963	1.7
133.02942	4.0
134.03691	2.0
135.04518	53.4
137.02431	4.6
146.04572	1.5
155.03481	5.6
161.02423	3.8
161.15782	1.5
173.04539	81.3
174.04861	1.8
175.05128	1.7
179.03503	46.2
191.05614	46.4
212.05498	1.8
288.26248	1.6
352.13434	9.1
353.09167	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	352.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98814	0.7
70.72097	0.5
70.72409	0.6
71.01384	0.9
79.95737	8.6
80.96524	0.8
81.48915	0.5
85.02938	0.9
93.03475	3.1
95.95232	6.9
96.96013	96.6
99.24795	0.4
111.04522	0.6
135.04532	8.4
137.02435	0.6
138.97131	0.7
152.00235	4.4
154.01833	0.6
155.03542	0.8
161.02444	0.5
173.04541	10.7
179.03490	7.5
184.02780	1.0
191.05626	7.2
191.07190	0.8
256.30017	0.5
260.19492	0.4
308.19034	3.5
350.07166	0.4
352.21637	100.0
353.08691	0.9
353.17737	0.8
353.21918	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	351.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01726	1.4
61.76559	0.6
71.01390	0.8
71.43617	1.2
80.32491	0.6
85.02941	0.8
93.03477	0.8
96.96006	0.8
97.17122	0.8
99.27481	0.7
101.02471	1.5
117.89384	0.8
133.02971	2.8
150.03246	0.8
173.04507	3.4
177.01871	1.1
291.18225	2.6
336.69547	0.8
358.34744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45243	1.6
60.63991	2.0
61.98831	100.0
65.86222	2.0
69.78616	8.5
71.01392	2.3
85.02989	2.1
91.69267	1.6
93.03442	8.7
101.70879	1.9
111.04498	2.6
135.04535	24.6
141.96512	2.5
161.02402	2.6
173.03107	3.2
173.04539	38.9
179.03525	21.5
191.05615	21.0
248.27220	2.1
263.36942	2.0
305.87622	2.5
353.06488	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	350.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68722	4.8
55.02691	4.1
55.06039	4.3
59.01387	26.0
70.06001	5.2
71.51334	8.3
81.21290	4.5
93.03467	4.8
94.10682	5.2
96.96016	100.0
123.04526	6.1
133.02943	21.4
155.18910	4.4
173.04552	32.2
177.01973	8.3
185.12820	4.8
231.10229	6.4
271.22754	12.3
351.07068	6.2
351.18503	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01372	13.5
61.13198	0.8
61.98837	5.7
63.39731	0.5
68.99815	0.8
69.86745	1.4
69.87135	1.8
71.01380	11.4
72.99298	2.7
73.02942	0.8
75.00469	1.0
75.00871	13.0
85.02949	12.7
87.00871	6.0
89.02454	2.7
92.05053	1.3
93.03463	3.0
93.52769	0.6
95.01399	3.7
97.27757	0.5
98.20622	0.7
99.00877	7.1
101.06078	100.0
102.06387	2.8
103.00365	1.4
105.03463	1.2
110.99937	0.6
113.02443	17.0
114.02736	0.6
115.00376	2.1
117.01942	3.1
120.04575	0.9
122.06120	2.6
129.01936	1.4
131.06126	1.4
133.02962	6.3
138.05608	1.5
138.85294	0.6
140.72009	0.7
149.02449	0.6
150.03217	1.4
150.05605	1.7
166.05161	0.7
167.05821	0.6
168.06683	1.5
173.04523	7.6
175.02460	1.9
175.05089	1.7
177.01910	2.0
212.05681	3.7
231.05034	2.1
241.29709	0.7
249.06128	14.9
249.08501	1.1
250.06645	0.7
286.36548	0.7
291.10864	0.9
295.58655	0.6
307.13013	0.6
333.11899	2.0
341.39441	0.6
351.12930	50.6
352.13388	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	349.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.1
59.01381	9.4
62.20699	1.5
70.67427	1.6
71.01382	52.2
71.51344	2.3
72.99309	24.4
73.02946	13.1
75.00849	5.3
85.02952	8.1
87.00883	2.3
96.96006	7.6
97.28948	1.6
99.00880	2.7
105.01939	100.0
117.01917	4.1
134.48277	1.9
135.02989	9.3
147.03009	81.9
148.03349	2.4
165.54219	1.8
223.82275	1.7
277.16321	2.3
349.16949	2.1
349.19589	2.8
349.23703	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	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03460	0.9
58.00586	1.4
59.01382	34.9
60.01712	0.7
61.98811	0.6
69.32206	4.6
70.40066	0.6
71.01014	1.1
71.01383	19.7
72.99303	3.5
73.02927	1.7
82.35147	0.6
83.01369	1.8
84.02180	0.7
85.02966	4.6
87.00874	2.0
89.02445	16.3
91.17298	0.6
95.01392	2.1
96.96008	1.2
99.00879	0.8
101.02442	13.9
113.02458	6.6
119.03503	6.7
127.03999	0.5
131.03517	0.7
139.11266	0.9
141.12860	31.4
142.13173	1.2
143.03528	0.8
163.03929	0.6
169.12363	5.4
171.13908	2.0
183.13878	2.0
187.13390	63.6
188.13730	3.4
195.68735	0.5
229.14401	2.2
239.63681	0.5
261.13260	0.6
305.12180	1.4
349.18643	100.0
350.19043	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	350.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14639	0.5
59.01364	0.6
61.98829	100.0
69.19772	5.7
133.02985	2.3
135.04550	1.4
151.00356	1.7
173.04558	2.2
287.05621	0.9
323.34988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2227
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
51.18864	0.2
55.07154	0.2
59.01389	0.3
62.86226	0.2
70.41105	0.7
73.43924	0.2
78.91759	0.2
96.96018	0.3
110.53085	0.2
120.11893	0.2
123.08122	0.3
163.07631	0.3
164.08350	1.4
165.09212	0.4
177.09109	0.4
191.07141	0.5
196.07390	0.7
201.09164	0.4
202.09598	0.2
215.10803	0.3
229.08679	1.0
231.10342	0.4
243.10274	3.2
244.10991	3.7
245.11479	0.5
257.11792	0.8
257.15372	0.3
271.17029	0.5
272.14142	1.0
272.17593	0.4
285.15112	0.5
299.16528	1.1
300.17270	1.3
314.18842	0.3
315.19632	100.0
316.19977	10.6
316.23755	0.4
347.18497	0.7
347.22263	3.7
348.22516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01093	2.5
59.01379	100.0
63.94125	2.3
70.57188	3.5
70.57547	6.3
72.99304	11.9
75.00868	4.1
93.43895	2.3
96.95988	4.0
102.60470	2.4
124.97884	2.7
133.86090	2.2
135.03020	8.3
143.40414	2.5
200.22231	2.4
262.65567	2.6
280.28003	2.6
285.38425	2.8
304.19797	3.1
349.20227	3.4
372.28314	2.6
374.78439	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	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60725	0.1
59.01373	0.2
61.07868	0.1
61.57435	0.1
61.98830	100.0
62.98534	0.2
70.65328	0.2
70.65668	0.1
71.66873	0.1
89.65469	0.1
147.96146	0.2
149.99879	0.1
162.98482	2.0
163.98531	0.2
164.96411	0.4
203.99983	0.4
205.00035	0.6
205.99747	0.8
206.97444	72.3
207.97552	4.8
348.98483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65432	0.8
55.01876	0.8
58.00595	1.0
59.01379	87.6
60.01695	0.9
69.03448	0.9
69.49706	5.2
71.01009	1.3
71.01385	23.7
72.99312	1.6
73.02945	40.8
83.01388	10.5
85.02945	4.8
87.00865	1.4
89.02436	4.7
98.19885	0.9
99.00887	1.9
99.08157	25.9
101.02440	25.7
109.61858	0.7
113.02438	5.6
119.03510	1.3
122.13663	0.8
125.02393	1.0
127.07654	5.9
129.09216	3.8
141.09222	2.4
143.03453	1.3
145.08705	84.5
146.09035	2.8
152.03467	0.9
161.04552	2.9
164.82397	0.7
173.33842	0.8
187.09747	3.9
196.60095	0.7
263.14935	0.8
289.12961	3.7
290.58734	0.8
303.02591	0.8
307.14001	16.8
308.14297	1.7
349.15015	100.0
350.15308	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.7
59.01685	0.8
69.35970	0.5
70.71227	0.5
71.52569	0.8
72.99306	1.7
80.05071	0.8
82.65731	0.5
84.99310	1.3
85.02959	0.4
85.46082	0.5
87.00877	14.0
96.96020	2.6
103.00378	10.0
108.08214	0.7
112.98816	23.3
130.99850	1.9
134.09741	6.3
149.00928	1.4
155.14449	1.1
190.12404	8.1
197.15508	1.3
197.66713	0.5
215.16515	100.0
216.16859	6.3
240.82759	0.5
259.10864	1.0
261.19681	3.3
273.19751	0.6
288.12482	0.8
303.09970	0.7
303.21872	2.3
329.10995	0.6
347.11554	1.2
347.17075	5.1
347.20871	1.0
347.24496	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	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
58.00595	0.9
59.01382	20.2
69.08564	0.5
69.29803	4.4
71.01337	0.5
72.99296	1.7
81.73162	0.5
84.99296	1.3
87.00882	15.0
98.20653	1.1
103.00364	11.5
112.98811	20.2
130.99879	2.6
134.09750	1.2
149.00905	1.1
158.46629	0.5
158.50665	0.5
169.15994	1.5
185.11836	0.8
190.12358	1.1
197.15454	1.3
205.64394	0.6
213.14977	0.7
215.16512	100.0
216.16847	6.0
347.17145	5.7
347.24094	0.5
363.83865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.0
62.83759	1.1
70.72741	2.4
70.73095	2.4
71.01378	6.9
71.04984	1.3
72.99306	4.0
75.87958	1.2
83.05019	1.3
84.99362	1.6
85.02953	1.4
87.00883	16.4
89.02449	6.5
101.02438	6.0
103.00365	10.8
107.47150	1.2
112.98820	21.0
113.02441	3.3
119.03529	3.1
127.11262	1.5
130.99867	2.4
149.00935	1.6
167.10765	23.2
185.11792	5.5
194.03162	1.1
215.16507	100.0
216.16812	6.2
216.54347	1.1
347.17188	26.6
347.23938	1.6
348.17480	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	346.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78136	0.5
58.00567	0.5
59.01380	9.0
67.01913	0.6
69.03413	0.7
69.18589	6.2
71.01382	8.9
84.00899	0.7
93.03452	1.4
95.05024	4.6
98.19917	0.9
110.02453	0.7
111.04549	1.0
112.04049	40.3
113.02452	1.3
113.04372	0.8
115.00381	0.8
120.87154	0.6
122.06115	1.5
122.48210	0.6
122.89597	0.5
124.04040	13.1
125.02435	0.7
126.05606	5.0
135.04506	0.6
137.02483	0.8
138.05585	1.1
140.07159	4.1
141.05652	0.9
154.05092	7.0
154.08763	0.7
154.99779	0.9
161.04559	0.7
163.80588	0.6
164.07146	0.8
166.05090	100.0
167.05432	4.1
170.02161	1.2
173.04547	2.9
174.04828	0.9
174.87373	0.6
182.08215	35.4
183.08607	2.2
184.06139	10.9
185.04584	1.1
191.05569	1.5
198.07758	0.9
208.06190	1.4
226.07216	10.5
227.07375	1.3
228.04993	0.6
286.09387	1.1
328.10345	2.4
346.11417	28.6
347.11731	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	345.1552
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
50.14897	0.9
50.27544	0.9
51.22509	1.0
52.95100	0.9
53.01429	1.2
56.60542	0.9
57.03445	1.1
57.50811	1.0
58.00587	3.4
59.01378	62.2
69.03449	1.3
71.01373	37.9
72.99301	4.4
76.23612	0.9
81.03465	0.9
83.01382	2.8
84.02157	1.1
85.02961	7.3
85.68188	1.0
87.00871	2.3
89.02444	31.5
90.02788	1.0
95.01383	2.0
101.02442	23.4
113.02441	9.7
119.03510	14.0
119.08686	1.1
121.10227	45.2
122.10577	1.3
123.04529	1.2
131.03488	1.1
137.09711	9.2
143.03513	2.0
165.09203	68.7
166.09589	4.5
179.05573	2.0
183.10248	43.2
184.10602	3.2
213.14873	2.4
220.77721	1.0
225.11343	1.2
259.24197	1.1
263.74933	1.0
345.15518	100.0
345.22443	3.2
346.15823	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	343.2852
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
50.90160	0.6
57.03448	0.8
59.01379	100.0
70.35847	0.6
76.89804	0.6
84.73627	0.6
85.02950	15.7
131.45314	0.6
170.23973	0.6
182.34607	0.6
201.75050	0.6
228.97438	0.6
239.16992	0.7
239.23758	4.7
308.77591	0.7
323.71429	0.7
325.27347	1.2
341.20480	0.7
343.28491	45.3
344.28870	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.72983	1.3
58.00587	2.4
59.01385	69.9
62.13920	1.1
70.36433	4.0
71.01389	39.0
72.42313	1.1
72.99302	3.5
73.02969	1.8
83.01388	2.8
85.02955	8.9
87.00880	4.2
89.02450	33.2
92.05061	8.5
92.45512	1.1
93.03455	4.6
95.01376	3.2
96.96011	1.5
99.00870	2.2
101.02462	19.3
102.49169	1.3
108.04557	4.6
109.02982	1.7
110.06116	2.2
111.30968	1.3
113.02464	13.4
119.03524	12.0
119.05024	13.3
120.04543	29.9
120.05370	13.6
121.02977	9.8
122.03262	7.8
122.06163	8.6
123.04527	1.5
135.04530	9.2
136.04088	9.7
137.02432	1.7
137.04834	1.4
138.05618	46.8
139.03992	5.2
139.06010	2.3
143.03519	1.2
162.05684	1.5
163.04169	1.3
164.03543	93.0
165.03928	4.3
173.04541	6.9
180.06622	5.3
181.04956	1.4
191.05556	3.8
209.05650	2.0
209.09396	1.6
241.92769	1.4
300.10849	18.7
301.11105	1.5
344.09869	100.0
345.09995	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	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19677	0.8
58.00592	2.2
59.01382	37.6
59.02905	0.9
63.29219	0.8
69.19878	6.6
69.20296	2.4
71.01017	1.0
71.01389	17.6
72.99310	1.1
83.01376	1.3
85.02956	3.5
88.64706	0.8
89.02448	17.7
90.10851	1.0
93.03452	1.8
95.01390	2.1
101.02432	8.4
104.97106	0.8
113.02444	6.5
114.00774	0.8
119.03507	6.1
119.05036	76.8
120.05358	3.5
121.03045	1.0
123.67108	0.8
129.46872	1.1
163.04019	100.0
164.04399	4.7
234.15475	1.1
277.92310	0.9
345.79034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01369	1.3
65.00273	0.7
69.52579	3.6
71.01373	1.3
72.49814	0.5
75.89577	0.4
76.32256	0.5
81.03418	0.6
83.01387	0.8
85.02943	0.9
87.00885	0.7
93.03452	2.0
98.19797	0.7
107.05011	0.6
108.02211	1.2
109.02964	3.4
111.00854	0.7
119.05001	1.3
121.02946	3.2
121.06557	1.0
122.03735	11.8
123.00897	0.6
123.04525	1.4
125.02448	2.1
125.09734	0.5
125.41551	0.6
133.02858	0.6
135.04529	6.6
136.05296	68.2
137.02448	1.6
137.06120	9.4
140.07179	1.6
144.42548	0.6
147.04498	0.5
149.02458	6.3
149.06027	1.1
151.04012	1.8
161.06007	0.8
163.04025	1.4
165.01930	1.6
173.04558	2.7
177.38495	0.5
177.70326	0.5
179.03497	2.4
179.07097	2.8
180.04274	100.0
181.05045	20.1
181.08681	18.5
182.05350	0.7
182.09023	0.8
191.03479	1.1
191.07172	1.8
193.01430	1.7
193.04996	1.5
225.05685	0.6
226.06265	1.7
227.07121	1.4
243.06618	2.4
253.07089	0.7
255.10248	8.0
256.10501	1.0
263.55829	0.6
277.15430	0.6
315.04736	1.0
343.04608	13.5
343.10349	58.4
344.04926	1.1
344.10632	5.7
350.31042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
59.52070	0.7
65.35717	0.7
66.48093	0.8
69.03438	0.7
69.41456	4.1
71.01373	3.5
71.85574	0.8
93.03455	5.3
108.02182	13.8
108.12659	0.7
109.02956	29.7
110.03282	1.1
115.00388	5.2
119.05042	1.9
121.02979	2.3
122.03767	9.2
123.04507	2.9
124.01690	1.0
133.06537	1.9
135.04538	5.8
136.05290	1.8
137.02435	1.6
137.06157	0.8
145.06606	1.5
147.04503	1.4
149.02437	2.5
161.06079	1.1
173.04602	1.2
177.33389	0.7
179.03494	2.1
180.04291	2.2
181.05167	0.9
181.08679	8.1
182.08942	0.8
209.06146	0.9
226.06352	16.3
227.07118	14.5
228.07480	1.1
237.06934	0.8
237.09174	1.0
239.07034	2.5
243.06653	1.0
253.08640	3.3
255.10263	100.0
256.10651	9.0
268.56683	0.8
325.48691	0.8
343.04459	6.5
343.08337	8.1
344.04916	1.0
344.08670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	84.4
60.01716	0.7
61.53425	0.2
61.98841	0.5
69.85958	1.0
69.86361	0.5
82.63251	0.2
88.64292	0.2
98.20637	0.4
106.59876	0.2
113.04595	0.4
115.02510	0.4
129.63077	0.3
157.03568	6.8
158.03716	0.7
159.01515	1.8
201.02557	100.0
202.02731	8.4
210.15364	0.3
252.25513	0.2
268.25488	0.2
343.03894	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	341.2695
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
59.01378	9.5
65.50191	0.6
71.01382	7.0
79.44060	0.7
82.24615	0.6
85.02971	0.9
89.02444	9.1
101.02438	2.8
113.02431	1.7
119.03514	3.6
131.03529	0.8
149.02460	0.8
161.04541	1.3
178.16246	0.7
179.05632	3.0
183.01115	0.7
277.25235	1.8
279.26920	72.8
280.27209	7.3
297.28043	1.3
323.25906	21.8
324.26285	2.3
325.76996	0.8
341.06949	0.9
341.10843	3.3
341.26950	100.0
342.27313	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	341.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64159	0.2
58.02978	2.2
59.01375	1.5
59.62803	0.2
59.64465	0.2
65.00330	0.3
65.03975	0.3
69.40054	1.6
70.02982	2.8
71.01386	0.9
71.02514	0.8
72.00919	0.2
72.33076	0.2
77.03968	0.4
81.03449	0.5
87.05664	0.3
89.02444	1.3
89.03973	1.3
90.64809	0.2
91.01897	0.6
93.03467	1.0
95.01344	0.2
95.02505	1.1
95.05034	1.9
96.00915	5.5
101.02432	0.5
103.05563	1.2
105.03469	0.7
108.01559	0.2
108.02137	1.2
109.02953	22.9
110.03285	0.9
111.01980	0.5
113.02425	0.3
113.02700	0.3
113.03575	7.0
114.01970	7.5
115.05513	0.4
117.03430	1.6
118.03404	0.2
118.04229	0.5
119.03552	0.3
119.05027	1.7
121.02950	1.4
122.03741	0.8
123.04526	20.4
124.04863	0.4
131.04623	15.4
132.02138	0.3
132.04938	0.3
133.02959	4.5
134.03839	0.4
135.00916	0.8
135.04501	0.5
137.02470	0.3
145.02940	2.6
146.03716	0.5
147.03362	0.4
147.04527	6.6
148.01678	0.7
148.04890	0.2
149.02432	1.0
150.03233	1.8
151.04007	9.7
152.04321	0.6
159.04485	2.0
160.01639	0.2
161.02443	4.6
162.03249	1.4
163.04022	1.1
165.12843	1.6
173.02467	0.5
175.03999	0.5
176.01091	1.4
177.01930	29.6
178.02277	1.4
179.05589	0.4
182.15482	3.4
187.04027	1.8
188.01115	0.5
188.04716	0.4
189.01927	78.2
190.02670	17.1
191.03485	15.0
192.03828	1.0
201.01929	0.9
203.03487	8.4
203.05327	0.5
204.03809	0.6
208.13608	0.3
208.17041	0.3
209.11893	0.3
216.00632	11.1
217.01402	41.1
218.01947	4.2
219.02972	16.2
220.03314	0.9
222.01689	0.4
225.16132	1.3
226.14471	5.3
227.14824	0.4
231.02982	12.2
232.03587	1.7
233.04482	1.1
253.05106	0.3
279.06345	0.3
279.17151	1.8
281.04581	1.4
283.06061	0.4
295.06183	0.3
297.07535	1.2
305.04578	0.4
308.03281	0.2
323.05560	2.7
323.16043	2.3
324.06000	0.3
341.06647	100.0
341.17139	10.4
342.06982	11.6
342.11206	0.4
342.17343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
54.14992	0.4
57.03448	31.9
58.03783	0.7
59.01377	5.8
71.01379	3.1
71.08690	0.8
72.99300	0.5
80.46490	0.4
85.02946	0.5
89.02444	3.8
93.03461	1.6
101.02448	1.5
103.77973	0.4
109.02959	2.6
111.12326	0.4
113.02458	1.2
114.62328	0.3
117.03488	0.4
118.17390	0.4
119.03498	1.5
121.02960	25.9
122.03262	0.6
123.04475	0.5
134.03722	2.9
135.04495	1.1
137.02431	0.6
147.03009	0.5
147.04347	0.3
149.02446	1.7
153.98952	0.3
163.00366	1.0
170.08739	0.5
179.07130	100.0
180.07481	5.0
189.01894	0.4
190.99812	1.8
193.05020	2.8
285.04074	1.6
291.81781	0.5
313.03568	1.6
341.03018	3.7
341.06763	0.6
341.11990	2.2
342.03445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
59.01385	5.3
59.30745	0.5
67.77842	0.4
69.03463	0.6
70.22189	1.9
71.01391	3.8
72.99322	0.6
85.02950	0.7
87.00882	0.6
89.02462	4.1
91.05528	1.0
95.01389	0.8
99.98579	0.5
101.02457	1.9
109.02961	3.8
113.02488	1.2
115.00345	0.5
117.01962	0.8
117.03455	0.5
119.03513	1.5
119.04962	0.5
121.02975	0.9
122.03757	0.5
123.04552	2.4
133.02954	1.3
135.04536	1.9
136.04881	0.6
145.02975	3.1
147.04539	1.4
149.02477	0.5
151.03996	1.6
161.02490	0.7
161.04567	0.5
166.06340	0.5
175.02336	0.6
177.01932	6.6
179.05656	1.4
180.05829	0.5
187.04012	0.8
188.04727	0.6
189.01956	9.6
190.02669	2.1
191.03467	1.5
193.01323	0.5
196.05315	1.2
196.08965	0.6
203.03548	1.0
205.07449	0.4
207.08171	0.9
209.06102	0.7
209.11765	0.5
210.06703	1.3
211.07700	0.7
216.00610	1.5
217.01370	3.7
219.02972	2.1
222.06859	1.7
223.07610	1.2
224.04820	6.4
224.08284	0.7
225.05357	0.5
225.09186	1.3
227.10739	1.7
229.08679	0.7
231.02930	1.4
232.03830	0.5
235.07666	1.0
236.08568	0.7
237.05626	1.2
238.06375	8.0
239.06947	1.3
239.10838	3.1
241.08757	3.6
251.07101	0.9
252.04314	1.4
252.07933	1.3
253.05006	0.5
253.08699	1.4
254.09436	2.6
255.10283	8.3
256.10825	0.8
265.08658	1.5
266.05823	6.4
266.08978	0.7
267.10278	1.7
269.11880	4.3
270.05371	1.8
270.12570	3.2
281.04660	2.0
281.07880	0.9
282.08932	2.6
283.09763	50.7
284.10110	4.3
293.08148	0.8
294.08929	2.6
295.09695	4.6
296.10406	3.6
297.07660	1.7
297.11307	2.4
298.12024	4.8
299.12674	0.6
309.11322	2.5
310.08585	1.1
310.12094	3.4
311.09262	100.0
312.09616	8.2
323.05527	0.7
325.10822	13.7
326.11584	76.7
327.11978	8.2
341.07178	18.5
341.13940	86.0
342.07062	1.8
342.14270	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01872	1.7
57.03446	2.2
57.24408	0.8
58.00595	3.3
59.01382	100.0
69.46024	5.9
71.01384	67.8
72.99314	3.4
73.02946	1.8
75.00887	1.0
82.01077	0.9
82.68218	0.8
83.01398	2.0
85.02949	10.4
87.00889	5.1
89.02448	83.3
90.02783	1.3
95.01366	4.1
101.02446	33.4
113.02453	25.1
119.03506	31.7
131.03546	4.2
141.51338	1.0
143.03494	7.5
149.04565	2.7
161.04576	11.0
177.66350	0.9
179.05612	27.3
185.08008	0.8
206.34822	0.9
210.74753	0.9
295.00009	0.8
341.10913	32.7
342.11221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01869	1.8
57.03446	2.2
58.00595	6.0
59.01379	100.0
60.01414	1.3
70.95086	3.4
71.01380	75.6
72.01752	1.4
72.99297	3.5
73.02943	5.3
75.72128	1.1
81.03454	1.8
83.01384	3.4
85.02955	17.2
86.82330	1.2
87.00868	6.5
89.02444	83.4
90.02750	1.3
93.03455	10.9
95.01376	4.0
97.02931	1.3
99.00892	1.6
101.02441	34.4
102.02748	1.4
106.04189	2.6
107.05035	28.6
111.04510	3.4
113.02448	27.8
119.03509	30.0
121.02952	5.0
122.03739	3.1
123.04529	62.6
124.04844	1.5
125.02422	1.8
131.03468	3.6
135.04532	20.6
136.04778	1.6
137.02419	2.1
143.03510	9.9
149.04523	2.8
155.03485	4.8
161.02409	4.2
161.04552	12.6
167.03496	18.7
173.03130	2.2
173.04543	32.8
174.04884	1.9
179.03484	4.4
179.05594	25.5
191.05623	11.2
195.31839	1.3
200.24341	1.1
267.40570	1.2
281.12375	2.4
296.81168	1.2
304.95630	1.1
332.76440	1.2
341.08661	16.7
341.10773	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	341.1084
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.62377	0.9
56.13510	0.8
57.03445	2.2
58.00591	3.4
59.01379	100.0
60.01718	1.0
69.65147	5.9
71.01381	71.2
72.01691	0.9
72.99311	5.3
73.02935	2.1
75.00880	1.3
78.95924	5.7
83.01377	2.7
85.02946	11.1
87.00883	4.0
89.02444	88.5
90.02821	1.5
95.01372	4.5
98.20594	1.2
101.02444	36.6
101.03109	1.8
102.02763	1.2
103.91978	1.5
107.05025	1.9
107.18915	0.8
113.01856	0.6
113.02445	25.6
119.03502	33.2
130.68004	0.9
131.03491	4.5
135.04491	5.8
137.97438	0.9
143.03503	7.9
149.00906	1.5
149.04546	5.4
156.87083	0.9
161.02466	1.6
161.04530	10.1
173.04645	1.0
179.03334	2.0
179.05605	30.0
183.65665	1.0
207.92398	1.1
257.20923	1.0
341.10904	36.0
342.11041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.30050	0.4
53.48783	0.4
55.05984	0.4
59.01382	5.6
71.01385	3.1
72.99297	0.5
79.75080	0.5
83.60545	0.4
85.02939	0.5
87.00876	0.6
89.02436	5.1
91.05550	0.7
91.80099	0.4
93.03464	0.6
101.02451	1.7
107.05003	1.0
109.02921	0.7
113.02489	1.0
117.03493	0.4
119.03520	1.7
123.04562	0.8
134.03734	3.8
135.04526	100.0
136.04857	3.8
147.04567	0.6
151.03999	0.4
161.04561	0.4
163.03937	0.5
177.01845	0.9
179.03497	84.4
180.03828	4.2
189.01938	1.4
219.02734	0.5
341.06149	0.8
341.08856	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	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.00578	0.4
53.60699	0.4
57.03439	0.4
58.00597	0.5
59.01379	5.0
63.58862	0.4
69.62424	2.3
71.01379	4.1
72.01693	0.4
73.02962	0.6
77.16992	0.5
87.00869	0.6
89.02441	5.5
91.05575	0.4
93.03461	0.7
98.19884	0.6
101.02454	1.9
107.05038	1.0
109.02975	1.3
113.02462	1.5
117.03469	0.4
119.03512	1.7
119.05002	0.9
123.04542	0.9
133.02895	0.6
134.03775	3.2
135.04524	91.4
136.04858	4.2
138.05608	1.5
143.03442	0.5
145.02971	0.6
146.03728	1.4
147.04535	3.1
161.02402	0.7
161.04591	0.5
175.05064	0.5
177.01878	0.8
177.05489	0.5
178.02655	0.6
179.03493	100.0
180.03828	4.4
189.01929	1.4
190.02682	1.0
191.03523	0.7
219.02907	0.5
251.07043	0.6
253.08646	2.3
264.04337	0.4
281.04486	0.6
297.25253	0.4
313.03403	0.7
331.68399	0.5
341.08966	8.7
342.08835	0.8
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	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01874	2.6
57.03446	3.3
58.00588	1.8
59.01381	51.4
62.43996	0.7
71.01383	62.5
71.13175	2.0
72.99316	1.6
73.02951	11.4
75.00865	1.3
83.01395	4.2
85.02957	17.7
87.00884	4.1
89.02446	39.2
93.03461	5.0
95.01398	4.2
97.02938	0.9
99.00896	3.5
101.02448	31.8
106.04259	6.1
107.05035	100.0
108.02180	1.6
108.05379	2.9
113.02455	23.3
119.03516	11.9
123.04551	9.5
131.03503	2.1
135.04524	12.1
138.05629	0.9
143.03497	3.8
149.04582	1.4
149.06133	1.4
159.02968	3.6
161.02455	2.9
161.04587	11.8
161.05931	1.8
167.03511	2.0
173.04572	3.1
179.03619	6.1
179.05615	14.7
191.05612	1.4
281.12161	1.6
298.70508	1.1
341.08853	16.6
342.08868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01382	2.2
69.26499	0.5
69.26911	1.6
71.01369	1.4
78.05904	0.2
89.02461	1.6
101.02440	0.5
107.05054	1.1
113.02428	0.4
119.03493	0.8
120.36665	0.2
133.02946	0.6
134.03767	2.2
135.04529	100.0
136.04855	3.7
157.94757	0.2
161.02463	1.8
177.01888	0.3
179.03513	2.5
179.05617	0.6
341.11435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.3
65.00354	1.1
71.01381	7.6
71.52784	0.5
81.03429	0.7
85.02961	1.1
87.00878	1.2
89.02445	10.0
89.03990	1.2
91.01889	0.6
93.03464	1.3
95.05037	1.8
96.11179	0.4
101.02453	4.0
103.05544	1.0
103.48991	0.5
105.03487	0.7
108.02167	0.8
109.02951	18.3
110.03313	0.9
112.98874	0.5
113.02428	2.5
117.03480	1.9
117.63366	0.4
117.69247	0.5
119.03498	3.6
119.05029	1.3
121.02952	1.2
122.03722	0.8
123.03622	0.9
123.04523	17.2
124.04887	0.8
125.02414	0.8
133.02934	4.0
135.00824	0.5
135.04556	0.6
137.02431	0.6
137.06075	2.2
143.03494	1.2
145.02977	2.2
147.04524	5.6
148.01620	0.7
149.02396	1.0
150.03258	1.3
151.04002	6.9
153.51401	0.5
159.04524	1.3
161.02451	3.1
161.04570	1.1
162.03206	1.3
174.55154	0.4
176.01219	1.1
177.01924	25.9
178.02293	1.1
179.05641	3.4
187.03986	1.5
189.01929	60.4
190.02670	15.8
191.03493	12.7
193.01335	0.6
199.42079	0.4
201.01988	0.5
203.03513	7.0
209.11845	1.7
212.46179	0.5
213.02072	0.6
216.00610	8.0
217.01399	34.2
218.02005	3.0
219.02977	12.9
231.02983	11.0
232.03534	0.6
233.04533	1.4
253.05145	0.5
269.04584	0.6
281.04587	2.4
282.05365	1.0
283.06030	1.1
295.06161	1.0
297.07678	1.2
308.03305	0.5
323.05600	3.2
341.06671	100.0
342.07016	8.5
342.14731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.1
59.01382	2.0
65.00337	0.4
65.03963	0.3
67.01890	0.3
68.99824	0.1
71.01382	2.0
71.52621	0.1
72.99309	0.1
77.03983	0.3
81.03455	0.3
83.01376	0.1
85.02940	0.2
87.00873	0.3
89.02450	2.3
89.03966	1.6
91.01890	0.7
91.05538	0.2
91.89732	0.1
93.03477	0.8
95.01382	0.3
95.05029	2.3
96.05392	0.1
101.02447	0.9
101.03947	0.1
103.05547	0.9
104.02686	0.3
105.03461	0.9
107.01421	0.1
107.05032	0.2
108.02182	1.1
109.02955	27.2
110.03286	0.7
110.64177	0.1
112.98834	0.1
113.02439	0.7
113.03555	0.1
115.00320	0.1
115.05559	0.3
117.03472	1.1
118.04260	0.2
119.03535	0.7
119.05013	1.5
121.02950	1.8
122.03766	1.1
123.04530	18.9
124.04879	0.7
125.02473	0.2
130.04254	0.3
131.03613	0.1
131.04813	0.3
133.02965	6.3
134.03783	1.5
135.00929	0.5
135.04517	0.6
137.02498	0.2
139.03999	0.3
142.99863	0.1
143.03481	0.2
143.05045	0.3
144.05785	0.1
145.02959	2.0
146.03757	0.5
147.04529	4.6
148.01671	1.1
148.05098	0.2
149.02449	2.2
150.03249	1.3
151.04010	11.5
152.04309	0.5
157.06566	0.1
158.03723	0.2
159.04520	2.3
160.01674	0.1
160.04047	0.4
161.02446	3.8
161.04555	0.3
161.06046	0.3
162.03230	2.6
163.00391	0.2
163.04001	0.7
173.00952	0.2
173.02444	1.1
174.03175	0.3
175.02510	0.2
175.04013	0.9
176.01135	2.4
176.04742	0.7
177.01932	41.3
178.02267	2.0
179.03464	0.1
179.03978	0.1
179.05579	0.9
185.02429	0.1
185.06120	0.2
186.03088	0.1
187.04013	5.2
188.01208	0.4
188.04797	2.4
189.01933	49.6
190.02690	16.7
191.03488	8.1
192.03850	0.4
194.02217	0.2
195.04482	0.1
196.05328	0.3
197.06044	0.2
199.03995	0.1
199.07637	0.2
200.04771	0.2
201.02026	0.5
201.05672	0.1
201.09236	0.3
203.03506	3.6
204.04126	0.4
209.06081	0.4
210.06883	0.1
211.04070	0.5
211.07681	0.4
212.04817	0.4
213.01947	0.3
213.05576	0.7
214.02769	0.3
214.06133	0.1
215.03427	0.2
216.00630	10.8
217.01407	23.1
218.02069	3.1
219.02983	11.0
219.04707	0.2
220.03358	0.6
221.06081	0.1
222.01691	2.2
223.01985	0.2
223.07713	0.2
224.04703	0.2
225.05516	0.4
225.09222	0.2
226.06161	0.1
227.07120	2.3
228.07605	0.2
229.08681	2.6
230.09064	0.2
231.02975	7.6
232.03706	1.8
233.04396	0.6
235.07666	0.2
236.04889	0.2
237.05597	0.7
238.06282	0.4
239.03496	0.1
240.04291	0.4
241.08725	0.2
251.04292	0.1
251.07091	0.3
252.04326	0.1
253.05040	1.1
253.08672	0.3
254.05772	0.7
255.06485	0.8
263.03430	0.2
264.04300	0.7
265.05032	1.2
266.05450	0.2
267.06781	0.2
268.03720	0.2
269.05078	0.2
269.08224	0.7
269.10916	0.1
273.07736	0.1
277.05029	0.3
279.06653	0.7
280.03729	0.3
280.06985	0.1
281.04550	11.9
282.05072	1.6
283.06357	0.2
283.09750	0.8
295.06119	0.6
295.09326	0.2
297.07684	9.2
298.08026	0.7
298.11340	0.1
305.04483	0.1
311.09296	1.5
312.09634	0.2
323.05582	1.4
325.11035	0.2
326.11584	1.1
341.06659	100.0
342.06982	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
63.02554	0.4
70.44336	1.5
78.51614	0.4
102.47856	0.4
163.11282	100.0
164.11600	5.4
339.23257	79.5
340.23593	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	341.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.1
59.01378	2.1
65.00333	0.4
65.03963	0.3
67.01903	0.1
67.03336	0.1
68.99809	0.1
69.25332	0.8
71.01382	1.8
76.18191	0.1
77.03963	0.1
79.05537	0.1
81.03458	0.4
83.01393	0.2
85.02956	0.2
87.00874	0.2
89.02451	2.0
89.03961	1.5
89.99477	0.1
91.01891	0.6
91.05539	0.3
93.03458	0.9
95.01409	0.3
95.05024	1.9
97.02970	0.1
97.23235	0.1
101.02457	0.9
101.03881	0.1
102.04739	0.1
103.05532	0.8
104.02700	0.2
105.03473	0.8
107.05024	0.2
108.02184	0.9
109.02951	25.3
110.03278	0.7
111.66668	0.1
112.98827	0.1
113.02448	0.6
115.05547	0.2
117.03452	1.1
118.04239	0.2
119.03517	0.6
119.05026	1.4
120.05357	0.1
121.02979	1.8
122.03746	0.8
123.04526	18.7
124.04874	0.6
125.02429	0.1
130.04237	0.2
131.05002	0.3
132.02121	0.1
133.02959	6.2
134.03766	1.5
135.00906	0.4
135.04549	0.6
136.01686	0.2
137.02461	0.2
139.03986	0.2
142.99889	0.1
143.03502	0.2
143.05002	0.4
144.05789	0.1
145.02953	1.8
146.03815	0.5
147.04517	4.3
147.29834	0.1
148.01645	1.0
148.04909	0.2
149.02444	2.1
150.03233	1.4
151.04005	10.4
152.04341	0.3
158.03699	0.2
159.04515	2.1
160.04045	0.4
160.05197	0.1
161.02434	3.1
161.04588	0.3
161.06015	0.1
162.03233	2.3
163.00420	0.1
163.04008	0.9
173.00945	0.2
173.02396	1.0
174.03195	0.3
175.02531	0.2
175.03999	0.8
176.01147	2.0
176.04759	0.7
177.01927	39.5
178.02274	1.6
179.05563	0.6
181.06526	0.1
183.04478	0.1
185.02448	0.2
185.06084	0.3
186.03087	0.1
187.04012	4.5
188.01184	0.4
188.04779	2.9
189.01927	45.0
190.02689	16.0
191.03491	6.9
192.03838	0.3
193.01480	0.1
196.05280	0.3
199.04022	0.1
199.07607	0.2
200.04765	0.2
201.01875	0.5
201.09184	0.3
203.03506	3.0
204.04062	0.3
207.08333	0.1
209.06020	0.5
210.06747	0.1
211.04024	0.4
211.07626	0.3
212.04776	0.4
213.01889	0.2
213.05562	0.7
214.02745	0.3
215.03539	0.2
216.00623	10.6
217.01398	20.0
218.02071	3.4
219.02968	10.2
220.03362	0.6
220.29860	0.1
221.05937	0.1
222.01685	2.2
223.02077	0.1
223.07646	0.2
224.04752	0.3
224.63626	0.1
225.05585	0.3
225.09282	0.2
226.06415	0.2
227.07146	2.3
228.07672	0.2
229.01514	0.1
229.08681	2.7
230.09047	0.2
231.02975	6.5
232.03682	1.8
233.04463	0.8
235.03964	0.2
235.07704	0.2
237.05571	0.6
237.55763	0.1
238.06180	0.3
240.04271	0.4
241.08568	0.2
251.07144	0.4
252.04286	0.2
252.07935	0.1
252.82011	0.1
253.05072	1.2
253.08580	0.2
254.05685	0.5
255.06549	0.7
255.10272	0.2
255.35628	0.1
263.03473	0.2
264.04315	0.9
265.04993	1.0
266.05630	0.1
267.06665	0.2
269.08221	0.7
273.07755	0.1
277.04950	0.2
279.03540	0.1
279.06647	0.7
280.03824	0.3
280.07025	0.2
281.04535	12.9
282.05093	1.8
283.09720	0.7
295.06107	0.6
295.09393	0.2
296.06384	0.1
297.07660	9.0
298.07990	0.7
305.04565	0.2
311.09229	1.9
323.05518	1.2
325.10776	0.4
326.11539	1.4
327.12125	0.2
341.06641	100.0
342.06967	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	339.1997
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
51.70152	0.3
60.82867	0.3
60.83168	0.3
74.08184	0.3
79.95749	1.1
82.27646	0.4
91.23083	0.3
91.66286	0.3
98.19762	0.5
98.95578	0.5
119.05030	1.1
126.62537	0.3
170.00421	1.3
183.01204	48.1
184.01707	2.7
197.02769	3.8
198.03462	0.3
211.04276	0.5
216.00986	0.7
225.05914	0.5
239.07544	0.9
240.07513	0.4
240.75610	0.3
253.09055	0.5
257.67865	0.3
329.42752	0.3
339.19965	100.0
340.20291	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	339.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01383	14.8
60.77776	0.8
67.01892	5.1
69.03458	5.3
69.38795	4.3
69.39204	2.2
71.01392	4.9
78.95911	2.0
81.03483	1.1
83.05058	1.5
85.02955	2.8
87.00876	1.0
89.02441	2.1
93.03465	34.5
94.03837	1.0
95.01402	1.7
95.05005	1.4
97.02959	1.5
99.00894	1.3
101.02437	3.0
109.02976	4.9
111.00890	1.4
111.04527	3.9
113.02473	1.0
119.05015	0.9
121.02965	26.2
122.03308	1.0
125.02447	14.5
127.03906	0.9
135.04495	1.2
137.02490	5.3
139.04024	60.9
140.04337	2.6
155.03491	3.1
157.05107	4.7
161.04567	0.9
165.01942	52.9
166.02188	1.8
173.04553	100.0
174.04892	3.5
177.01920	6.9
185.04550	14.0
191.05653	7.5
229.03430	2.3
241.01234	1.3
249.06332	1.0
339.07285	15.1
339.13004	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	339.0873
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
55.21516	5.7
59.01371	21.7
71.50223	6.9
71.50716	6.8
72.64243	5.8
77.27313	6.4
78.38469	7.6
98.76282	5.9
121.02956	80.9
147.04523	87.1
149.02420	6.7
155.97649	6.2
183.01207	44.0
193.10301	51.0
207.08110	7.4
207.11763	11.9
221.09703	6.9
222.06689	6.2
223.07607	6.4
237.34990	5.6
251.07124	13.6
251.10760	30.8
273.56512	5.5
295.09769	84.4
321.46564	5.8
339.05035	11.1
339.08780	100.0
339.16232	42.8
339.19864	13.1
340.09131	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	339.072
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01375	0.7
63.56738	0.2
69.53516	1.7
71.01382	0.4
81.03458	0.5
83.76248	0.3
85.02950	0.3
89.03957	2.1
89.29838	0.3
93.03459	0.8
98.20615	0.4
104.02640	0.3
105.03459	3.8
108.02095	0.3
109.02956	0.5
109.54411	0.3
119.05035	0.6
120.05383	0.3
127.62379	0.3
127.99519	0.2
133.02960	8.7
135.04605	0.4
137.02446	0.3
144.59880	0.2
148.01721	0.3
149.02440	1.2
163.03972	0.6
164.04285	0.4
165.04379	0.3
173.04555	0.9
176.01147	0.9
177.01927	100.0
178.02255	4.2
191.05673	1.5
226.06293	0.4
227.07025	0.7
238.46881	0.3
255.10341	0.5
339.07199	6.6
340.07635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74431	1.0
55.01884	1.1
57.03439	3.2
58.00581	3.8
59.01379	89.6
60.01686	1.2
67.01897	2.8
71.01379	49.6
71.51733	1.4
72.99318	5.9
73.02934	2.9
74.00755	1.0
75.00861	1.2
83.01387	4.9
85.02944	12.5
87.00884	6.5
89.02444	47.4
93.03455	13.3
95.01383	4.3
99.00877	7.3
101.02447	33.0
109.02967	6.8
111.04490	2.7
113.02450	20.4
115.00371	10.2
119.03515	21.8
119.05010	11.1
121.02985	1.7
121.06552	1.9
123.04524	1.2
125.02386	2.2
131.03456	2.2
133.02953	6.1
135.04515	5.6
137.02399	2.3
138.01955	3.1
139.00357	1.9
143.03474	2.6
145.02962	2.7
147.04521	4.2
148.05246	2.8
149.06078	48.2
150.06419	3.4
161.02454	15.3
161.04597	2.7
161.05980	1.8
163.04007	10.1
165.05597	2.3
173.04552	38.5
173.06044	2.2
173.82442	1.3
174.05014	1.5
175.02458	6.4
175.04005	8.0
177.01921	10.3
177.05490	1.4
179.05623	1.8
185.53722	1.1
187.03989	2.0
189.05609	2.7
190.05898	1.3
191.03381	1.3
191.05595	2.8
193.05019	7.0
196.63911	1.2
205.05060	2.5
206.02132	2.0
219.02962	10.7
233.04529	9.9
237.04027	25.8
249.07648	2.2
250.06497	2.7
271.93805	1.1
277.03470	3.3
293.06705	3.3
319.04587	1.6
327.08643	2.2
337.05859	4.2
337.15021	100.0
338.15424	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	337.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48677	0.8
50.71052	0.7
54.66611	0.7
54.83611	0.7
57.03454	2.0
59.01379	26.9
67.01901	1.3
70.70114	0.8
70.70451	1.7
71.01382	16.2
72.99310	3.5
73.02954	5.1
75.00876	12.7
83.01393	1.4
85.02953	17.1
87.00876	7.1
87.04516	100.0
88.04867	1.3
89.02437	4.4
93.03483	2.9
95.01389	3.8
99.00874	7.1
101.02460	3.4
103.00374	1.5
111.00912	1.1
111.04539	1.0
113.02454	19.7
115.00391	2.1
117.01972	1.2
119.05031	16.8
129.01932	1.3
137.02435	0.9
139.00397	0.9
155.03496	1.2
161.04614	1.3
163.04008	26.2
164.04338	1.3
173.04552	5.0
173.05852	0.8
175.02533	3.1
175.09631	0.9
184.16428	0.8
191.03969	0.9
191.05528	3.8
231.04996	1.9
249.06091	12.9
277.09378	1.3
319.10364	2.0
328.63177	0.9
337.11472	51.9
337.15121	10.0
338.11740	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03444	1.9
58.00574	2.1
59.01381	99.0
60.01709	1.3
67.01888	2.2
69.41611	7.3
71.01379	50.9
71.05006	1.2
72.99293	3.4
73.02942	1.0
82.86286	1.0
83.01369	2.6
85.02944	10.9
87.00884	2.2
89.02444	58.2
92.12787	0.9
93.03461	8.5
95.01391	4.2
101.02444	31.5
109.02973	1.3
111.00891	3.2
111.04504	2.1
112.39623	0.9
113.01713	1.7
113.02448	21.5
119.03507	21.0
119.04943	4.8
124.18913	0.9
127.24039	0.9
131.03540	1.5
137.02403	2.2
143.03474	2.4
149.04489	1.4
155.03450	1.3
157.08673	1.6
161.04533	1.3
163.03993	7.3
171.38344	0.9
173.01045	0.9
173.04544	28.9
173.06081	1.8
175.09770	1.1
179.05620	3.8
191.05667	1.4
221.61972	0.9
303.05392	1.0
325.72040	1.0
337.15033	100.0
338.15500	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98577	0.6
57.03455	0.7
59.01386	1.9
60.99308	0.7
67.01885	4.3
69.03439	1.0
69.64919	2.2
71.01380	2.7
81.03438	1.1
83.05023	1.2
85.02959	2.8
93.03459	26.4
93.79150	0.5
94.03783	0.7
98.20652	0.6
111.00848	0.6
111.04508	4.9
117.03464	0.8
119.05024	19.5
120.05339	0.8
127.03976	0.9
137.02437	4.0
145.03053	0.7
155.03514	5.2
163.04007	16.4
173.04541	100.0
174.04887	3.5
191.03978	1.0
191.05614	13.0
228.60150	0.6
240.23257	0.5
293.18292	0.5
309.77011	0.5
337.09314	3.7
338.09821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	2.2
59.01384	100.0
59.01689	4.7
59.10601	1.7
61.13569	1.6
61.88971	1.7
69.73134	8.1
71.01389	49.1
72.99319	3.0
73.02944	2.9
83.01390	2.3
85.02963	10.0
85.06608	2.9
87.00901	4.2
89.02454	68.8
95.01392	4.0
101.02459	23.5
104.78123	1.8
113.02455	19.8
113.06135	13.4
115.04037	6.0
119.03520	22.7
119.05012	2.8
143.03490	5.5
149.04546	2.7
157.05052	2.9
161.04585	5.1
163.04051	5.3
173.04619	4.7
179.05611	18.6
194.83820	1.8
217.06113	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	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28374	0.5
57.03437	0.7
59.01368	1.4
61.62891	0.5
67.01884	3.1
69.03461	0.7
71.01373	2.6
71.09024	1.0
81.03461	1.1
83.04999	0.5
85.02940	1.1
93.03456	19.9
94.03825	0.6
96.53768	0.5
100.12999	0.5
109.03005	0.7
111.04501	3.9
113.61671	0.5
119.05028	14.8
127.03984	0.7
137.02432	3.4
145.02946	0.6
149.89758	0.5
155.03479	4.7
163.03999	16.6
173.04543	100.0
174.04887	2.4
191.05597	9.4
239.84462	0.5
266.63226	0.5
337.09351	3.8
356.46796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03446	1.0
59.01373	1.6
60.99277	0.4
67.01883	5.1
69.03452	0.7
69.18770	2.3
69.19187	1.7
71.01366	2.1
81.03441	0.8
83.05032	1.1
85.02934	0.7
87.00875	0.4
93.03456	28.9
100.76513	0.4
109.02936	1.1
111.00906	0.6
111.04520	4.9
119.05022	13.8
137.02441	5.1
150.85864	0.5
155.03477	4.7
163.04005	19.4
164.04297	0.9
173.04539	100.0
174.04903	3.1
191.05624	1.4
337.09286	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	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.04759	0.6
71.00253	1.7
83.05022	1.1
85.02962	3.9
93.03456	4.5
111.04507	3.4
119.05028	62.3
120.05361	2.6
127.03978	0.9
137.02493	0.7
155.03494	2.6
160.95824	0.7
163.04010	100.0
164.04367	3.9
164.34541	0.7
169.26634	0.7
173.04523	5.4
186.50993	0.9
191.05612	42.5
192.05997	1.4
238.60262	0.7
271.19547	0.6
337.09244	5.0
338.09415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01370	2.0
66.05630	0.5
71.01410	0.6
71.09182	0.8
74.30729	0.5
81.03467	0.5
83.04980	0.9
85.02954	1.8
87.00897	0.7
93.03465	3.6
108.18917	0.5
110.27975	0.5
111.04545	2.4
119.05031	56.9
120.05399	2.5
125.82188	0.5
125.83054	0.6
133.03830	0.5
155.03485	3.0
163.04012	100.0
164.04382	4.5
169.38832	0.5
173.04536	5.7
191.05623	18.2
192.05968	0.8
322.41193	0.5
337.09241	2.2
337.15112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
59.01381	8.5
65.45566	1.4
66.93185	1.5
68.99812	2.8
70.84823	3.7
71.01374	5.5
72.99299	1.8
73.02946	1.9
75.00851	1.9
83.01389	2.3
85.02951	5.4
87.00874	5.1
89.02441	1.9
98.07498	1.5
99.00887	3.9
101.02464	2.9
105.04304	1.4
111.00884	3.3
113.02448	6.3
113.99590	15.5
115.00401	13.3
126.30534	1.6
127.00365	2.2
157.01410	5.9
163.02516	2.7
174.01750	17.0
175.02493	2.7
210.57179	1.4
214.22559	1.4
252.92841	1.5
277.05630	16.7
314.80377	1.6
337.07764	100.0
338.07950	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	337.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01285	0.4
57.03449	0.9
59.01380	2.7
60.01387	0.4
65.72659	0.4
68.99805	2.8
69.03450	0.7
71.01375	2.9
72.99304	1.5
73.02935	1.6
75.00867	1.2
78.11266	0.4
81.03461	0.6
83.01382	1.3
85.02949	5.8
86.03272	0.5
87.00878	4.2
89.02429	0.7
95.01383	0.9
97.02946	1.0
99.00877	5.1
101.02430	1.9
103.00613	0.4
107.95817	0.5
111.00909	2.5
112.98810	0.9
113.02450	5.7
113.99584	17.8
115.00393	7.9
118.96611	2.6
127.00375	2.8
129.01945	2.7
130.96638	1.6
139.00360	0.6
142.96658	0.5
145.03206	0.5
146.96144	1.0
149.00916	2.4
157.01437	4.7
165.04045	0.5
169.01393	1.4
174.01689	15.8
174.03204	0.8
175.02348	1.0
190.04077	0.7
204.96571	2.1
259.45572	0.4
260.95593	5.9
262.97244	0.6
277.05637	19.2
278.06000	1.6
337.07770	100.0
338.08044	7.7
348.43970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36209	0.6
63.09827	0.6
66.48391	0.6
69.77850	3.5
72.99301	9.4
74.97632	0.9
86.97658	0.8
87.00877	2.2
90.97140	11.8
102.97121	2.0
102.98830	0.7
103.00362	0.7
118.96631	48.6
121.95628	0.7
126.98874	0.8
130.96628	29.5
132.98186	0.8
142.96635	9.7
144.98175	0.8
146.96129	19.9
148.97696	8.5
149.00906	3.5
158.96140	2.7
167.31377	0.7
170.96060	2.3
170.97482	0.9
174.95631	1.0
176.97096	1.4
186.95560	6.4
188.97173	2.0
188.98889	2.7
193.83687	0.7
198.95602	5.1
202.95062	5.0
204.96655	44.7
205.97029	1.2
206.98306	3.6
212.99016	0.9
216.96661	1.7
226.81824	0.7
242.94638	3.8
244.06329	0.8
246.97711	7.6
247.03249	1.0
260.95627	100.0
261.95944	2.6
262.97226	20.4
270.99469	0.9
274.97195	1.3
318.96069	1.0
319.01709	2.0
336.97232	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	336.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86409	0.4
59.01375	1.1
61.98833	100.0
66.42372	0.4
66.56065	0.4
71.01380	1.0
71.44068	0.6
77.21062	0.4
79.93143	0.5
85.02966	0.7
85.93036	0.5
115.00410	1.1
153.09108	0.5
173.04578	1.4
175.02525	1.9
288.36816	0.5
337.07889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71752	2.5
59.01378	3.0
61.98830	100.0
69.94370	11.8
76.40997	2.1
79.31316	2.1
85.02960	10.2
88.89582	2.1
90.88294	2.1
93.03471	3.5
101.52221	2.4
106.14292	2.3
124.84174	2.5
128.18222	2.1
129.01891	2.0
145.02988	5.7
155.42584	2.1
161.02341	2.6
163.04024	3.2
173.04558	10.5
175.02478	2.1
181.61977	2.1
191.02013	5.1
310.00455	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03442	2.0
58.00592	3.1
59.01378	91.2
65.13259	1.0
65.96630	0.8
70.73466	1.4
70.73841	1.9
71.01378	46.9
72.99308	3.6
73.02947	1.7
75.00873	1.0
81.82902	0.8
83.01357	3.1
85.02930	8.7
87.00849	3.1
89.02444	51.7
90.02753	1.2
95.01394	3.3
101.01797	2.0
101.02443	32.0
101.42696	1.0
113.02438	18.2
119.03496	24.6
125.06086	1.7
131.03493	1.6
135.42418	1.2
143.03429	1.7
149.04594	1.3
155.07089	4.8
161.02406	2.5
161.04532	1.7
173.08215	2.4
179.05629	3.4
187.06102	2.5
335.13443	100.0
336.13757	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	336.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86467	1.6
59.91236	1.7
61.36477	1.4
61.98829	100.0
71.00928	4.1
73.91156	1.4
75.13673	2.0
85.01776	1.7
93.03475	4.5
133.02924	4.4
134.03279	7.2
135.04536	1.9
136.04829	2.2
161.02435	24.6
162.02776	24.2
167.05492	1.9
173.04536	4.4
179.03529	2.1
180.03737	2.6
189.22227	1.5
197.02122	1.6
222.57689	1.7
231.76433	1.7
336.08054	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	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.09562	0.3
55.71828	0.3
59.01375	0.8
65.03954	0.5
71.01364	0.5
71.51307	0.5
73.02963	1.7
80.05031	0.3
81.03458	0.6
83.05012	2.0
85.02953	0.4
87.23995	0.3
91.05509	0.4
93.03458	12.9
96.09594	0.3
99.00915	0.6
107.05026	1.5
109.02941	0.8
111.04522	4.0
117.03467	0.8
120.04561	0.4
122.06110	1.4
124.07665	1.4
133.02951	8.7
134.03746	5.2
134.56694	0.3
135.04526	100.0
136.04872	4.2
137.01599	0.5
137.02454	5.1
143.03491	0.3
148.04070	2.7
150.05582	0.9
155.03458	2.2
161.02438	26.5
162.02773	1.2
166.05089	0.8
171.78780	0.3
173.04559	1.9
179.03493	82.6
180.03850	3.8
186.79961	0.3
193.26357	0.4
210.04054	0.6
228.35219	0.4
231.11443	0.5
236.68787	0.4
263.68018	0.4
266.69003	0.4
273.12491	1.8
287.98276	0.4
291.08807	0.4
291.13504	2.0
335.07748	24.6
335.12329	2.7
335.20837	0.6
336.08084	2.6
336.11774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39708	0.3
51.62513	0.4
59.01389	0.8
60.99317	0.5
61.98835	5.0
67.01897	1.7
69.03456	0.4
70.64349	0.7
70.64714	0.8
71.01381	0.6
81.03481	0.5
83.81526	0.4
87.00884	0.6
93.03462	12.8
94.03771	0.7
94.26413	0.4
105.03448	0.5
109.02935	0.6
111.04519	0.8
117.47672	0.4
124.07672	0.4
132.02176	1.1
133.02965	26.9
134.03412	0.7
135.04530	14.1
136.04895	0.8
137.02484	4.1
148.04066	0.8
155.03482	1.2
161.02454	100.0
162.02809	4.8
173.04564	2.7
179.03508	4.3
206.35831	0.4
212.55360	0.4
221.68298	0.4
267.11942	0.5
269.60025	0.4
291.08707	0.4
291.13535	0.8
335.07721	30.9
336.08203	2.6
342.05023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
54.69061	0.4
59.65113	0.4
60.99292	0.5
65.25208	0.4
67.01901	1.1
69.14696	2.8
69.15113	2.1
87.00884	0.6
93.03460	10.4
105.03449	0.5
111.04552	0.9
116.47626	0.4
132.02167	1.1
133.02965	22.3
134.03365	1.0
135.04538	8.5
137.02448	5.1
142.88147	0.4
155.03470	0.8
161.02444	100.0
162.02788	4.8
166.05110	1.0
173.04561	1.8
178.34430	0.5
179.03525	4.6
210.04095	0.6
291.08771	0.6
335.07724	33.6
336.08069	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	333.1918
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
53.43653	0.6
55.01875	1.4
57.03442	3.6
58.00614	0.6
59.01380	18.1
59.22139	0.6
67.01895	1.6
68.99818	1.8
69.43594	4.1
71.01382	38.8
72.01717	0.6
72.99305	6.3
73.02943	0.8
75.00875	28.5
76.64220	0.6
83.01394	5.3
85.02954	24.2
86.00104	6.6
87.00878	7.8
88.01685	0.8
89.02445	4.5
93.56956	0.6
95.01387	5.7
97.02961	0.7
97.55309	0.6
99.00887	7.2
101.02460	1.7
103.00365	1.0
111.00807	0.6
112.01688	1.3
113.02444	13.5
115.00379	1.7
117.01938	2.0
123.98463	0.6
129.01936	1.2
155.14432	2.2
157.01486	0.7
175.52296	0.6
199.17146	0.9
227.16548	2.5
273.17078	3.1
314.77710	0.7
315.18076	4.3
333.19180	100.0
334.19479	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64319	0.5
59.01389	1.3
59.46356	0.6
63.61026	0.5
69.25652	2.2
69.26076	3.1
75.21130	0.6
78.03491	0.9
80.05061	0.6
83.05008	0.6
92.05059	2.9
93.03458	0.7
94.06607	3.8
104.05060	3.1
104.58460	0.6
105.03439	2.1
106.06635	13.5
107.03781	0.7
107.06972	0.7
108.04539	2.5
117.24747	0.6
120.04549	6.2
121.05349	1.4
121.30215	0.5
122.06123	11.6
123.03264	2.4
124.07690	1.0
131.03769	0.7
132.04544	7.7
138.05614	22.4
139.05984	1.0
142.41309	0.6
148.04112	0.7
150.05612	3.3
166.05031	0.8
174.12717	0.7
188.07156	0.7
189.07991	1.0
198.08083	0.8
200.05879	0.7
201.14983	3.0
202.12367	0.9
202.38055	0.5
213.06668	0.7
215.11880	2.0
217.07393	1.1
236.43028	0.6
238.02237	0.7
241.09814	3.6
243.11385	1.6
256.08527	0.7
271.10800	1.1
289.11938	100.0
290.12262	6.8
333.10840	10.4
334.11484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71099	1.1
59.01372	4.5
61.99109	1.3
69.31216	11.4
71.01387	1.4
72.99302	2.6
85.48197	1.2
87.00877	3.3
92.05048	6.5
92.29279	1.3
98.20598	2.5
103.04285	3.5
104.05073	8.5
106.06664	1.5
110.02448	1.9
112.98811	3.9
118.02973	3.4
120.04552	3.9
122.02528	1.5
122.06122	18.8
125.02418	4.7
132.04530	1.7
136.04044	3.5
136.07727	1.4
138.05614	15.3
140.07146	11.0
148.04012	5.0
150.05623	1.4
153.02007	2.5
154.06601	1.3
156.08241	1.4
158.09749	3.2
160.04008	1.3
166.05080	12.7
167.05872	3.4
168.06696	3.6
168.08163	2.7
169.08977	3.9
172.11331	9.0
184.11282	18.5
185.11705	1.7
186.05592	1.7
186.09212	2.5
187.06395	3.0
188.07082	1.9
188.10751	1.9
188.94066	1.4
197.07115	1.8
199.08723	2.4
200.07103	2.6
201.07899	2.7
201.14963	15.7
202.12378	9.8
211.05142	2.8
212.05896	5.1
212.09206	1.3
213.06511	1.6
213.10393	1.8
214.08684	3.8
215.09537	7.6
216.06773	2.9
216.10406	13.3
217.07413	41.5
224.06041	1.4
225.06778	1.7
226.07414	5.8
227.04718	1.6
227.08191	3.7
231.08972	16.4
237.06625	1.8
238.07411	3.5
240.09157	1.5
241.06068	1.6
241.09824	29.9
242.06818	2.3
242.10378	1.6
243.11298	4.8
245.12830	2.0
246.11336	78.6
247.11604	5.0
253.09792	13.5
254.07074	1.9
255.07770	5.0
256.08432	3.2
259.10907	16.5
271.10864	100.0
272.09177	5.3
272.11356	4.2
289.11923	25.5
297.08673	2.2
315.09726	9.2
333.04724	2.4
333.10886	53.4
333.18744	2.2
334.11130	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	331.1916
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
69.20507	0.7
69.20921	1.7
71.01379	0.3
84.21774	0.3
102.33791	0.2
106.04454	0.3
125.65372	0.2
130.67128	0.3
159.65013	0.2
190.66408	0.3
242.13097	0.4
243.10245	0.4
259.16959	0.5
261.27063	0.3
270.13177	0.4
270.16226	7.1
271.16724	1.0
272.13998	0.4
283.13260	1.3
285.18591	4.7
286.18936	0.4
287.20218	1.8
298.15729	37.6
299.16061	2.9
302.15140	0.4
312.17270	0.4
313.18066	4.6
314.18414	0.3
318.94791	0.3
331.19135	100.0
332.19519	9.1
332.22531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2279
Annotation	Tessmannic acid methyl ester
Peak:m/z	Relative Intensity
50.70673	0.2
69.92664	0.7
69.93076	0.4
86.17735	0.2
94.13488	0.2
104.76492	0.2
119.15435	0.2
196.69009	0.2
215.10741	0.9
227.10793	0.5
228.11496	1.3
283.17102	0.7
284.17783	1.5
299.20148	100.0
300.20474	9.4
301.21753	0.8
331.19516	0.7
331.22772	19.6
332.23117	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	332.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45695	0.4
57.03446	0.4
58.00565	0.6
59.01378	6.0
59.41141	0.4
69.03450	0.4
71.01385	4.1
71.35095	0.9
73.02933	0.5
79.62287	0.3
83.05016	0.5
85.02936	1.3
87.00879	1.0
89.02445	2.4
93.03470	0.6
95.03798	0.5
96.08170	0.9
97.01675	0.8
101.02439	1.8
109.05302	0.8
112.98802	0.6
113.02425	1.1
119.03471	1.1
119.04990	0.5
122.06134	1.1
122.53791	0.4
124.07683	6.8
135.04498	1.0
137.04819	4.2
137.09761	0.5
138.05579	0.5
138.10056	0.7
139.00369	0.7
140.01109	0.4
140.07181	1.0
149.00880	0.7
152.07167	100.0
153.01939	0.4
153.07535	4.3
169.00153	1.7
169.03835	0.6
170.00957	6.4
170.08257	0.7
173.04518	1.2
178.89502	0.4
179.03441	0.6
180.99915	0.4
191.05588	0.5
200.10117	1.1
201.11316	2.7
227.93376	0.4
245.12883	1.0
332.06320	3.7
332.13608	4.3
333.06570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.8
65.64676	1.1
71.01392	4.9
71.05014	4.9
71.52193	1.1
72.99306	4.2
73.02930	2.4
84.99294	2.3
85.02934	1.7
85.06593	100.0
86.06913	2.1
87.00883	35.8
89.02458	2.2
97.02960	1.4
101.02457	3.0
103.00377	26.9
112.98817	44.3
113.02451	2.4
113.99144	1.5
123.04475	1.3
127.03999	13.5
130.99879	8.2
135.04475	2.5
149.00934	7.8
153.01933	3.5
161.04601	1.8
177.65099	1.2
179.03468	3.2
199.13400	91.4
200.13721	5.0
211.82076	1.1
215.83957	1.2
243.03214	1.0
331.14041	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	331.1916
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
55.55479	0.2
61.00898	0.2
69.04088	0.2
70.44189	0.5
70.44561	0.4
74.27800	0.2
84.36067	0.2
100.99290	0.2
102.69550	0.2
196.28577	0.2
243.10294	0.7
245.08276	0.5
259.09772	8.3
260.10434	2.6
273.11346	0.5
301.14380	1.2
315.15933	3.8
316.16763	2.7
331.19156	100.0
332.19492	10.4
348.15952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.11428	0.6
56.37201	0.6
69.03460	3.4
69.15832	3.0
69.16256	3.9
79.01888	1.3
81.03465	1.7
82.25252	0.7
83.01349	1.6
87.00876	1.5
95.01377	1.6
97.02953	3.5
107.01387	2.3
109.72152	0.7
110.00069	2.1
123.00854	3.8
124.01662	15.1
125.02443	88.0
126.02794	2.9
137.02463	1.0
137.99599	2.2
149.99580	30.6
151.00398	3.8
152.01120	0.8
153.01927	24.2
154.02650	0.7
155.03491	0.7
165.01907	2.3
167.03494	2.8
168.00633	65.8
168.04256	11.8
169.01418	46.7
169.04924	2.2
170.01775	1.8
180.04289	2.2
184.06161	0.9
195.06630	5.1
313.05640	8.5
329.07040	0.7
331.06686	100.0
332.07062	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	331.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
56.31143	0.8
57.03440	2.8
59.01378	21.4
66.92344	0.7
69.03440	0.9
69.67290	1.2
69.67700	3.9
71.01392	6.6
71.05018	70.1
72.05348	1.8
73.02952	2.3
81.03465	1.2
83.01392	1.2
85.02948	3.5
87.00854	1.0
95.01357	1.0
98.19899	1.3
99.00898	0.8
99.04520	5.0
101.02435	3.4
102.23543	0.8
113.02455	2.6
123.04536	1.6
125.02428	2.7
127.04013	100.0
128.04350	3.0
132.04295	0.8
139.00504	1.1
140.01146	2.3
151.03929	1.0
153.01971	1.2
158.78816	0.8
161.04530	2.8
167.03476	3.1
167.06104	1.0
168.03806	1.1
169.03960	2.5
170.00960	4.8
173.04546	1.4
197.07141	1.0
222.76868	0.9
289.09238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
52.09083	0.5
59.01380	1.6
63.86042	0.5
66.56003	0.5
67.51565	0.5
71.01377	2.7
71.50570	1.0
73.02953	1.0
79.20889	0.4
83.01416	1.0
84.00877	0.6
85.02963	3.1
87.00911	0.9
87.06951	0.5
89.02468	0.6
97.00286	0.6
101.02455	1.9
110.00108	7.1
111.34583	0.6
113.02473	2.7
124.01675	1.2
125.02456	9.8
137.02473	0.6
137.99579	9.1
139.00356	2.5
140.01154	0.8
145.03001	0.6
151.00400	0.7
151.03947	0.5
152.01138	2.7
153.01936	100.0
154.02563	3.9
155.03481	2.0
161.04507	1.2
166.02728	0.8
167.03497	9.9
168.04274	51.1
169.01436	4.4
169.05054	8.7
176.01016	0.8
179.03494	0.6
181.01378	0.7
184.06207	0.7
191.03612	1.0
197.23837	0.5
199.09714	1.6
209.04565	1.2
215.10277	0.5
224.00987	0.5
299.07593	0.6
331.06836	1.5
331.10394	4.2
353.78427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
56.34154	0.7
57.03435	1.7
57.11404	0.6
59.01380	1.7
68.23265	0.6
71.08083	1.5
76.00233	0.6
83.05039	0.8
84.70399	0.7
85.02911	0.9
89.33546	0.6
97.06590	0.9
99.08150	6.8
122.49934	0.6
125.09695	1.1
127.11292	5.0
139.11269	9.5
146.95163	0.7
155.10809	0.9
155.14478	0.8
157.12347	1.0
167.03404	0.8
167.14423	1.1
169.46529	0.7
171.10269	21.8
183.13908	5.3
193.12288	1.4
197.11748	0.8
201.11343	1.4
209.11807	1.1
211.13379	24.7
212.13699	1.3
225.06635	1.1
229.14421	13.0
231.26515	0.6
293.21082	0.9
311.22064	1.5
329.23322	100.0
330.23672	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	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.08228	0.2
53.61974	0.2
59.01374	0.5
62.89376	0.2
71.20339	0.3
81.05196	0.2
107.05019	0.2
123.08162	1.2
139.00429	0.3
153.05518	0.2
167.03360	0.2
177.09111	0.4
215.07161	1.0
217.08704	1.1
218.05841	1.0
229.08664	2.0
230.09494	3.5
233.08247	0.4
243.10304	0.4
243.13916	0.3
245.58850	0.2
246.08977	0.4
257.08099	0.3
258.08881	0.7
259.17023	0.5
271.13400	2.8
285.15005	2.2
286.15732	1.0
296.14166	0.5
301.18106	3.3
311.16495	0.9
313.14395	1.3
318.14755	0.6
329.17575	100.0
330.17905	8.9
346.14282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25562	0.5
59.01370	1.0
61.98801	0.5
70.35596	1.8
72.85423	0.5
77.38932	0.5
80.25938	0.5
93.03461	1.3
97.60127	0.5
108.02174	0.6
109.02956	2.0
119.04951	0.4
121.02952	28.0
122.03255	0.8
135.04477	3.5
141.76521	0.5
147.04518	9.6
149.02420	0.5
159.04494	3.2
165.10344	0.7
167.06090	0.9
192.07878	0.8
196.05312	1.0
197.05969	0.6
209.06006	1.1
210.06926	1.0
211.03992	1.4
211.07657	0.6
212.04755	4.7
212.46191	0.5
213.05310	0.8
213.09193	0.9
222.06784	0.6
223.07666	1.8
224.06857	1.0
225.06682	2.1
225.08995	0.8
226.06355	2.4
227.10698	1.1
229.08612	0.7
237.05705	0.8
240.04263	5.6
240.07852	0.8
241.08757	3.0
243.10266	2.6
250.06290	1.2
251.07149	2.2
253.05106	1.3
253.08592	2.9
254.05843	8.3
254.08971	0.7
255.06190	0.7
255.10249	1.3
257.08334	0.5
263.07080	1.2
265.08774	0.7
268.07437	1.1
269.08176	72.4
270.08539	5.7
271.09729	8.5
272.10141	0.7
281.08173	10.5
282.08630	1.4
283.09686	4.7
285.04007	0.6
286.04797	1.8
297.07562	0.6
298.08710	0.7
299.09213	55.8
300.09500	5.3
313.10760	1.7
314.11584	69.9
315.11975	6.2
329.13928	100.0
329.23190	2.4
330.14236	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	329.1394
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
59.01371	1.6
59.90490	0.4
86.21241	0.5
89.63692	0.6
93.03435	1.4
108.02164	0.6
109.02980	2.3
118.78797	0.4
119.05004	0.5
121.02954	28.3
122.03230	0.8
123.04472	0.7
133.02934	0.6
135.04509	3.9
147.04520	10.0
148.04808	0.6
159.04532	3.9
167.03493	0.6
167.06041	0.8
167.07227	0.5
177.05615	0.8
187.04153	0.5
191.07162	0.7
192.07849	1.2
192.83406	0.5
196.05286	1.7
197.09692	0.5
199.07715	0.8
209.06119	1.1
210.06738	1.1
211.04051	1.4
212.04784	4.4
213.09222	0.5
219.03149	0.6
222.06834	1.1
223.04005	0.6
223.07607	1.7
224.06837	0.6
225.05264	1.0
225.06917	0.8
225.08934	0.6
226.06409	1.8
229.08615	0.7
237.05591	0.9
237.09177	0.5
238.06435	0.7
239.03612	0.6
239.06927	0.7
240.04239	4.9
240.07922	0.7
241.04962	0.6
241.08597	3.8
243.10243	2.9
250.06216	0.8
251.07108	2.6
252.07594	0.5
253.05074	1.6
253.08696	2.8
254.05826	8.5
255.06355	1.4
255.10205	2.1
263.07166	1.3
265.08884	0.7
267.06738	0.8
268.07440	1.4
269.08179	73.8
270.08557	5.8
271.09717	9.7
272.10077	1.0
281.08194	12.0
282.08673	2.1
283.09756	4.1
284.10306	0.5
285.04218	1.1
286.04816	1.8
297.07660	0.5
298.08499	1.6
299.09219	58.3
300.09561	4.7
311.01852	0.6
313.10831	1.4
314.11581	75.8
315.11890	7.7
329.13931	100.0
329.23230	2.8
330.14276	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	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
69.24501	0.4
69.52110	0.4
69.65644	2.5
71.01382	7.8
72.99294	2.1
73.02944	2.7
81.03463	0.5
83.01386	0.6
85.02950	3.8
87.00878	1.5
89.02453	1.2
93.03441	0.5
95.01431	0.8
99.00867	1.0
99.04523	0.6
101.02443	5.7
104.51607	0.4
107.05037	0.5
108.02193	2.3
109.02950	2.5
113.02451	3.1
121.02998	2.8
122.03744	100.0
123.00871	0.4
123.04591	12.3
124.04077	0.7
125.02486	0.9
134.03770	0.7
135.04512	6.1
137.02412	1.2
137.06097	1.6
147.04541	1.5
149.00934	3.9
149.06129	0.8
152.01173	0.6
153.05563	0.8
159.02994	1.2
161.04570	9.9
162.03294	0.5
165.05569	5.9
167.03494	2.3
177.05568	2.9
179.03447	0.7
181.05104	0.5
197.04535	2.1
209.02966	0.5
239.05698	0.5
285.09833	1.5
329.05603	0.5
329.08923	4.9
330.08960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35156	0.3
50.51034	0.4
59.01376	0.9
69.28284	3.0
69.28671	0.8
71.01394	7.8
71.62973	0.4
73.02953	2.4
73.92563	0.3
82.98055	0.4
83.01418	0.7
85.02958	2.7
87.00888	0.5
89.02460	0.8
93.03434	0.7
97.02969	0.4
99.00886	1.2
99.04505	0.7
101.02456	5.4
108.02199	1.1
109.02954	1.6
113.02461	3.9
121.02972	2.6
122.03749	100.0
123.04594	12.8
124.04853	0.4
135.04562	1.7
137.02446	0.9
137.06100	1.8
143.03513	0.6
147.04538	1.5
148.05289	0.4
148.44492	0.3
149.06136	0.4
159.02933	1.8
161.04564	8.9
165.05557	5.9
167.03526	0.6
177.05589	2.3
271.17300	0.4
281.11554	0.4
285.09830	1.6
329.08780	4.0
337.33826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01359	0.5
60.39185	0.4
70.94773	0.4
71.01384	0.7
71.28342	1.0
72.99305	1.4
76.53365	0.4
83.01346	0.4
85.02943	0.5
87.54372	0.5
88.66253	0.5
96.12881	0.4
108.02177	60.8
109.02464	1.0
123.04531	26.4
124.04826	0.7
135.04533	0.9
149.02478	0.4
152.01157	40.0
153.01447	1.4
167.03493	100.0
168.03839	4.2
179.03438	0.7
197.04562	2.9
204.08553	0.5
209.04416	0.4
218.38898	0.4
329.08682	1.1
351.36917	0.5
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
51.51244	0.2
56.75323	0.2
57.03442	0.8
57.08037	0.2
59.01383	0.7
60.62296	0.2
61.40221	0.2
62.25233	0.2
65.00313	0.7
69.26963	0.9
69.27383	1.1
71.55262	0.3
75.64924	0.2
81.03452	4.5
83.01382	2.7
95.05035	0.7
99.04513	0.3
107.01389	0.8
123.04521	31.8
124.04852	0.8
125.02442	6.6
127.05192	0.3
134.96782	0.2
139.04070	0.3
149.02444	1.0
151.00337	1.8
158.06041	0.2
161.12662	0.3
163.04019	0.5
167.03488	100.0
168.03835	3.6
179.10786	0.3
179.57625	0.2
188.53592	0.2
191.03482	1.0
209.04512	0.9
212.05473	0.3
302.89026	0.3
329.08823	0.8
330.11139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
52.86152	0.3
57.03472	0.5
59.01365	1.1
65.00333	0.3
67.01900	0.3
69.03484	0.7
71.01392	0.8
71.51768	0.4
81.03461	6.8
83.01382	2.8
85.02959	0.7
93.03458	1.2
95.05036	2.6
97.02943	1.2
99.04539	2.9
105.03452	0.7
107.01372	0.4
109.02966	0.7
117.03490	1.5
120.31494	0.3
121.02946	0.6
123.04531	34.9
124.04845	1.1
125.02457	4.5
133.02975	0.8
134.03339	0.5
135.00903	0.3
135.03459	0.5
135.04500	0.6
137.02420	0.6
137.06184	0.3
139.04012	1.2
149.02423	1.3
151.00340	1.4
151.04037	1.2
163.04002	1.1
164.03532	5.9
166.02721	0.4
167.03500	100.0
168.03871	3.8
175.00375	1.1
179.03516	0.9
180.04274	0.4
180.48532	0.3
181.05067	1.9
191.03506	19.7
192.03830	1.0
193.05101	0.4
209.04565	7.7
221.04520	2.3
233.04553	0.4
251.05550	0.3
286.03897	1.0
290.53757	0.3
299.04935	0.4
300.05499	0.5
301.06216	2.7
329.05673	10.5
329.08948	2.5
330.05975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29620	0.7
59.01368	2.7
64.70275	0.7
65.99957	0.7
69.27193	3.4
69.27623	3.0
71.01367	0.9
80.96506	0.8
96.92752	0.8
97.61500	0.8
109.02980	1.5
120.58937	0.7
123.04516	1.3
125.02479	1.7
135.04480	0.8
137.02452	0.9
142.06627	4.4
151.03964	0.9
154.06642	1.2
159.04549	1.4
163.00403	1.7
167.06136	24.5
168.04568	9.2
169.05257	1.2
170.06111	6.6
177.01897	0.9
181.05328	3.9
181.07654	1.3
195.05634	9.4
196.06323	3.0
197.07188	13.4
198.05629	9.0
198.07370	1.5
205.01352	0.8
225.06691	100.0
226.06978	6.3
237.06740	3.8
239.04607	3.8
249.06744	1.4
269.05679	42.8
270.05954	2.4
281.05688	2.3
285.08328	1.3
293.05695	1.8
311.47855	0.9
329.06570	3.4
329.10654	1.0
329.23434	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	328.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62193	1.0
52.24348	1.0
52.57912	0.8
59.01379	3.0
61.98850	0.9
65.98158	1.0
69.03448	1.0
70.93425	2.4
72.00930	1.2
72.04571	1.9
72.99311	1.1
73.02911	1.1
74.02477	100.0
75.02818	1.9
83.01363	1.0
83.22949	0.9
93.03480	1.1
109.02985	0.9
111.08172	1.2
118.05110	3.4
133.03043	1.3
161.02402	1.1
163.00362	1.0
165.12857	16.2
183.13893	20.4
190.01901	1.0
194.15474	1.6
205.35652	1.1
207.13898	3.6
209.11838	2.1
222.15013	24.5
222.18549	13.0
223.15221	1.0
227.12883	15.9
240.16022	8.6
249.14851	1.1
251.12964	7.5
255.03143	1.1
255.29758	1.2
266.13989	18.4
266.17599	7.7
284.15033	28.9
285.15305	2.2
293.14169	1.7
297.04034	7.5
300.06036	1.3
328.05334	2.5
328.17688	41.1
328.22067	2.6
329.14258	1.4
329.18130	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	329.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.7
61.98829	3.0
71.01400	0.5
71.50389	0.7
72.99363	0.5
74.99392	0.5
87.00899	1.0
108.30109	0.5
115.02538	1.4
116.79491	0.5
117.00455	8.7
118.00606	0.7
125.00945	1.4
126.98911	1.2
128.96791	0.6
129.00455	0.5
130.19408	0.4
143.01968	4.3
143.02856	0.5
150.72127	0.5
157.03506	1.2
159.01498	64.8
160.01637	3.7
167.03484	0.5
168.99951	4.9
170.97842	12.6
171.01503	1.0
171.98042	0.5
186.86349	1.2
187.00983	100.0
188.00989	8.3
190.97226	0.9
194.04886	0.5
198.99504	0.7
201.02550	15.2
202.02751	1.4
232.98283	1.6
241.00519	1.6
259.01422	0.8
274.99414	6.3
275.99438	0.6
283.28537	0.5
287.00980	1.5
311.01169	1.5
328.96826	2.7
329.02087	2.8
330.02396	0.6
350.09424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.28502	0.3
53.75296	0.4
55.01869	0.6
57.03445	1.7
58.00586	0.5
59.01366	1.3
60.34690	0.3
60.50410	0.4
64.72339	0.4
69.03442	1.4
70.61551	0.4
71.01374	1.3
71.04987	0.6
79.95701	0.4
81.03402	0.4
83.01405	0.3
83.05034	1.0
85.02948	4.7
95.05013	1.3
97.02941	1.3
97.06576	5.9
106.04261	0.4
109.06596	0.7
111.04525	0.4
123.08216	0.6
125.09695	1.6
127.11276	2.1
133.02948	1.5
135.04524	0.3
137.09734	0.7
155.10751	1.1
155.14394	0.7
163.04091	0.4
163.11246	0.5
165.12833	1.1
167.10822	0.7
167.14413	1.4
171.08797	0.8
171.10257	10.9
175.11235	0.6
177.12810	1.5
183.13914	4.5
185.11810	1.9
193.12302	1.6
197.11855	1.0
199.13390	0.8
203.10713	0.8
209.11804	2.2
211.13383	26.9
212.13737	1.7
221.11856	4.6
229.14433	18.0
230.14647	0.8
239.12843	2.8
247.20720	0.4
291.19635	4.5
299.05472	0.7
309.20660	1.4
327.05038	3.2
327.21744	100.0
328.05505	0.6
328.22092	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.75078	0.4
52.92140	0.4
57.03434	0.4
57.48771	0.5
58.00591	1.9
59.01381	3.3
67.62312	0.4
69.03443	0.8
69.75493	0.8
69.75905	1.9
71.01358	0.5
72.99324	0.5
77.94383	0.4
81.03425	0.4
83.05046	0.5
90.04915	0.4
97.06612	2.3
98.19950	0.5
109.06588	0.7
111.08156	9.2
127.07643	1.9
133.02954	1.5
139.93797	0.4
151.11241	0.6
153.12848	1.6
165.12801	0.6
167.14465	0.4
169.12338	6.5
171.10242	0.7
179.10783	0.5
181.12300	2.3
183.01190	0.6
193.12325	0.8
194.99338	0.6
197.11823	49.9
198.12201	2.9
199.13391	7.2
211.13402	6.1
221.11690	1.0
229.14412	1.3
239.12764	0.6
239.16521	0.6
263.20267	0.4
284.03302	0.7
291.19583	3.1
292.46094	0.4
299.05576	1.2
309.20584	1.9
327.05142	6.3
327.21744	100.0
328.22083	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
59.01379	4.1
71.01397	2.6
71.50933	1.1
71.51303	0.7
72.99310	1.8
73.02925	1.4
75.00871	45.9
85.02938	0.9
87.00861	1.4
89.02431	1.6
93.03454	0.8
101.02451	1.4
107.05006	0.8
109.02923	0.8
117.01941	1.4
119.05025	1.4
119.41556	0.5
129.01939	8.8
133.03012	0.8
134.03748	2.6
135.04517	15.2
136.05022	0.7
139.03961	0.6
145.06123	0.8
147.02991	2.7
147.04552	0.5
149.02388	0.7
161.02377	1.7
163.04059	0.7
165.01839	2.7
165.04047	100.0
166.04388	2.6
166.06070	0.6
173.04498	0.8
177.01997	1.0
179.03487	10.8
179.04967	0.8
180.03720	0.6
181.89615	0.5
327.07251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Paeonoside
Peak:m/z	Relative Intensity
58.49862	0.3
59.01382	13.8
63.33760	0.3
70.82579	0.7
70.82912	0.4
71.01381	1.1
77.36446	0.3
84.50945	0.3
85.02953	1.2
91.30331	0.3
93.03465	5.9
101.02484	0.5
107.05034	0.4
119.05000	0.8
121.05792	0.2
121.06601	6.6
130.08742	0.4
135.04506	0.7
139.57486	0.4
145.31090	0.4
147.04543	0.5
161.04538	0.7
165.05571	100.0
166.05914	3.8
179.03413	0.6
260.00818	0.4
327.10858	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.0
59.90302	1.7
60.80202	1.5
71.51581	1.7
71.52006	2.8
78.46410	1.6
97.06590	2.0
109.37492	1.6
111.08173	8.4
125.02367	2.2
129.09201	6.2
133.02937	6.1
135.04532	1.6
141.09087	1.9
149.53816	1.5
163.03978	2.1
169.12325	7.6
183.01230	4.1
185.11867	8.2
197.11818	52.8
198.12219	2.9
198.79460	1.8
199.13385	5.2
209.11853	7.2
211.13396	5.6
227.12938	3.9
291.19757	3.5
299.05518	5.0
309.20740	4.7
327.05133	23.2
327.16245	11.6
327.21768	100.0
328.16544	2.4
328.22073	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21498	1.7
59.01379	6.1
61.98848	1.6
69.17908	17.6
71.01353	2.1
71.23005	1.4
77.13797	1.3
77.86113	1.5
80.85802	1.5
86.82001	1.4
97.06561	3.3
99.00819	1.6
109.06620	1.6
111.08140	12.8
125.80472	1.7
127.07686	2.0
133.02972	3.9
158.92487	1.7
163.03926	1.9
165.01974	2.0
165.05540	2.3
169.12326	7.1
171.10272	3.2
181.12437	2.8
183.01176	2.4
193.98547	1.6
197.11827	47.2
198.12280	1.7
199.13452	10.0
210.69949	1.7
211.13301	4.4
214.75076	1.6
249.78969	1.8
284.03290	2.6
291.19595	4.7
298.00308	1.6
299.05597	5.7
309.20721	5.2
327.05179	25.3
327.09070	2.8
327.13174	4.4
327.21759	100.0
328.05579	2.0
328.22171	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	327.0506
Annotation	Dalspinin
Peak:m/z	Relative Intensity
55.01886	0.1
63.02386	0.2
65.00323	1.4
65.03951	0.1
67.01897	0.2
68.99820	0.2
69.03439	0.2
69.74301	0.5
77.03968	1.9
79.01431	0.1
79.01888	1.8
79.22878	0.1
81.03455	0.7
83.01381	1.1
91.05577	0.1
91.84701	0.1
93.03449	1.0
95.01390	0.3
95.05035	0.3
97.02949	1.3
105.03465	0.9
107.01391	1.5
107.05046	0.1
108.02174	0.1
109.02952	3.3
109.03695	0.2
111.00869	0.1
115.01900	0.1
117.03460	0.3
119.01438	0.1
119.05025	2.2
121.02956	3.0
122.03338	0.1
123.00902	0.6
123.04546	0.3
125.02450	2.8
130.88304	0.1
131.01379	0.2
131.05008	0.2
132.02184	0.6
132.21425	0.1
133.02956	24.0
134.03653	0.6
135.00854	0.4
135.04527	3.2
136.01640	0.2
136.04886	0.1
136.23409	0.1
137.02417	0.8
139.03938	0.2
143.05002	0.2
143.74062	0.1
145.02937	0.6
146.03639	0.1
147.00899	0.1
147.04520	1.6
148.01683	0.9
149.02444	2.2
149.03632	0.2
151.00346	0.5
151.03987	0.8
157.06642	0.1
158.03764	0.1
159.04445	0.1
161.02409	0.7
162.03206	0.1
162.19534	0.1
163.00365	0.9
163.04008	5.5
164.01131	0.3
164.04338	0.1
165.01915	2.8
165.54036	0.1
167.03519	0.1
167.04953	0.2
168.05832	0.1
169.01500	0.1
169.06563	0.1
171.04517	0.5
172.05280	0.1
173.02454	0.8
173.06076	0.2
174.03163	0.3
175.00352	0.3
175.03995	3.9
176.01097	0.2
176.04327	0.2
177.01949	0.6
177.15443	0.1
181.06613	0.2
182.03775	0.1
183.04546	0.3
183.08058	0.2
184.05260	0.2
185.02397	0.1
185.06035	0.5
187.04034	0.3
187.07623	0.3
188.04749	0.2
189.01912	0.4
189.05701	0.1
190.02719	0.2
190.99818	0.1
191.03484	2.7
192.03752	0.1
193.01418	2.5
194.01732	0.1
195.04463	0.2
196.05286	0.4
197.02423	0.2
197.05997	0.2
198.03284	0.5
198.06744	0.1
199.04002	1.6
199.07671	0.3
200.04695	0.3
201.01904	1.6
201.05429	0.1
202.02498	0.1
209.06065	0.4
210.06885	0.1
210.14032	0.1
211.04042	1.1
211.07663	0.3
212.04770	0.8
213.05594	1.7
214.02774	0.2
214.06184	0.1
215.03401	0.2
215.07153	0.1
216.04169	0.2
217.01524	0.1
217.05046	0.4
223.03877	0.1
224.04689	0.2
225.05605	0.6
226.02734	0.2
226.06306	0.1
227.03445	0.7
227.07031	0.7
228.04259	0.2
229.05089	0.6
231.06551	0.6
237.05626	0.5
237.35255	0.1
238.06294	0.1
239.03506	0.4
240.04248	1.3
241.05032	1.3
242.02199	0.3
242.05531	0.1
243.02979	0.6
243.06587	0.3
253.05051	1.0
254.05753	0.3
255.03163	0.5
255.06581	1.2
256.03751	1.0
256.06366	0.1
257.04504	0.4
259.06195	0.2
265.05136	0.2
265.91458	0.1
267.02859	0.2
269.04541	0.5
270.05389	0.3
271.06161	0.6
280.03656	0.1
281.04562	0.7
282.05331	0.1
283.02643	0.2
283.06064	0.2
284.03238	13.0
285.03641	1.0
297.04037	2.0
298.01328	0.2
298.04803	4.8
299.05585	21.6
300.05887	1.5
309.04111	0.7
325.03561	0.3
327.05069	100.0
328.05420	7.3
338.35721	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01386	16.3
71.01370	11.3
71.04993	2.8
79.95740	2.5
80.96523	3.5
83.05025	7.6
84.02172	4.2
89.02414	3.1
96.95986	7.1
99.08146	3.6
101.02450	3.9
113.73252	3.1
116.07205	14.3
119.05043	6.2
125.06107	3.4
125.09715	3.4
127.07647	14.8
134.03712	3.4
139.07597	4.2
163.03986	5.3
163.06062	4.1
163.11240	5.0
165.12817	3.2
185.11775	12.1
197.11855	15.7
209.11829	100.0
210.12079	5.1
217.86934	2.7
227.12917	4.8
238.12024	5.9
256.12973	3.4
289.18079	6.7
289.69305	2.9
307.15601	4.6
307.19147	84.5
308.19119	10.4
325.03564	3.0
325.07349	5.3
325.11096	9.4
325.16797	3.8
325.20163	35.1
326.19812	9.9
342.63745	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	325.0928
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
56.71500	0.4
56.73050	0.3
59.01382	4.6
66.82812	0.3
69.16081	2.0
69.16492	1.3
71.01376	2.9
73.62270	0.3
85.02936	0.5
86.55936	0.3
89.02431	1.9
98.19878	0.7
101.02441	1.2
113.02434	0.8
117.03461	20.6
118.03779	0.7
119.03550	0.8
119.05020	6.4
120.41657	0.3
133.06546	0.4
145.02951	100.0
146.03304	4.0
158.56691	0.3
159.04472	0.5
159.77092	0.3
161.06123	1.2
163.04008	10.4
177.05875	0.3
187.04002	3.7
188.04340	0.3
205.04990	1.6
235.06198	0.5
265.07278	1.4
325.09280	4.7
326.09802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.79353	0.2
59.01375	0.4
69.55058	1.6
83.10526	0.2
87.00853	0.4
93.03461	0.7
112.98831	0.3
117.03497	0.8
118.77201	0.2
119.05027	100.0
120.05376	4.0
121.03050	0.3
134.03745	3.3
149.00894	0.3
149.06026	0.4
163.04008	58.8
164.04362	3.0
193.05057	3.7
198.64906	0.2
205.05005	0.3
254.82637	0.2
330.25134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.1
61.28704	0.9
62.55489	0.9
66.82193	0.8
69.39821	5.3
69.40236	2.0
87.00876	9.7
89.03968	1.3
93.84818	0.9
103.00372	3.8
112.98811	9.6
117.03477	9.4
119.05025	24.0
130.37448	0.9
134.03743	91.5
135.04074	3.6
135.52539	0.8
137.02460	0.9
145.02986	1.6
149.00894	7.6
149.06078	7.7
163.02750	1.3
163.04012	16.7
166.99280	0.9
173.04565	1.0
178.02689	3.4
193.05049	100.0
194.05319	4.6
199.03288	1.0
294.38696	1.0
294.42212	1.1
325.05652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
69.07524	0.6
69.70802	3.6
98.20574	0.7
117.03464	2.6
119.05027	100.0
120.05325	3.4
122.23746	0.5
145.02959	9.4
147.52399	0.7
163.04008	87.7
164.04379	4.5
210.31674	0.5
215.09709	0.6
229.09763	0.7
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
59.01380	5.9
64.92927	0.3
69.95295	1.2
71.01379	2.7
85.02922	0.5
89.02437	2.7
98.20553	0.4
101.02446	1.0
109.02903	0.3
113.02466	1.0
117.03465	19.9
118.03803	0.9
119.03506	0.8
119.05019	5.2
123.04543	0.4
133.06551	0.4
134.03728	0.3
134.21855	0.3
141.62125	0.3
145.02959	100.0
146.03294	4.2
159.04570	0.3
161.04778	0.2
161.06068	1.5
163.04021	7.7
164.04234	0.4
177.05629	0.3
187.04025	4.0
205.04982	1.5
221.94841	0.3
235.06065	0.4
265.07074	1.7
289.07190	0.9
302.43286	0.3
325.09305	4.8
325.12936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37608	1.1
57.03425	1.5
58.00587	2.4
59.01380	100.0
60.01730	1.3
70.00523	4.4
71.01382	49.2
72.99326	2.2
73.02939	1.1
83.01390	1.9
83.58726	1.0
85.02953	7.7
85.58708	1.2
87.00871	1.5
89.02445	49.0
90.02793	1.2
95.01397	3.5
101.02443	28.3
106.80444	1.1
112.99105	1.0
113.02452	19.5
119.03506	22.2
131.03473	1.4
143.03477	2.0
153.25854	1.2
161.04593	2.7
179.05586	3.3
196.87091	1.0
250.84375	1.0
277.09186	1.1
300.44708	1.1
302.09320	1.0
320.54251	1.3
323.13467	84.9
324.13870	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	325.0564
Annotation	trans-fertaric acid
Peak:m/z	Relative Intensity
51.58822	0.7
59.01385	6.3
59.36961	0.7
66.15050	0.6
70.63171	1.8
71.01379	1.3
72.99314	4.6
87.00874	9.6
89.03983	1.3
96.72404	0.6
103.00387	2.2
105.01933	1.0
108.51569	0.6
112.98831	3.9
117.03451	4.9
119.05029	11.5
128.61514	0.7
134.03746	100.0
135.04056	3.4
137.02495	1.0
145.02966	1.4
149.00919	38.8
149.06056	5.0
150.01308	1.1
161.00925	0.9
163.04018	8.5
163.06104	0.8
163.52193	0.7
175.07652	1.2
178.02710	1.6
193.05049	88.7
194.05380	3.2
195.38397	0.7
289.07404	0.8
325.05597	1.9
325.09354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97172	1.5
55.01874	1.7
58.00586	4.7
59.01384	100.0
60.01721	1.5
70.84293	4.6
71.01008	2.4
71.01392	44.0
72.99295	2.5
73.02999	1.6
81.71055	1.2
83.01415	2.0
85.02956	8.8
87.00905	2.3
89.02452	47.3
95.01385	2.5
101.02451	30.1
113.02459	17.1
119.03509	23.9
124.80826	1.3
143.03532	2.0
153.42427	1.4
161.04597	2.7
161.08189	2.2
179.05638	3.1
275.64017	1.3
323.13489	94.3
324.13873	7.9
326.44189	1.3
346.77423	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00372	0.5
57.03443	0.7
58.00600	1.7
59.01380	100.0
60.01715	0.9
65.47848	0.7
69.69077	2.0
69.69473	1.0
71.01380	16.1
72.99307	1.2
73.02958	1.8
83.01393	0.8
85.02957	3.2
89.02446	20.9
91.05507	0.6
99.00900	0.8
101.02445	10.8
113.02457	7.1
119.03499	9.3
125.06134	0.8
127.90044	0.6
131.03497	1.2
143.03529	1.5
143.07132	3.0
149.04539	1.3
159.15009	0.7
161.04555	4.2
161.08232	1.0
179.05586	4.1
263.11163	1.1
281.12430	2.2
323.13461	36.6
324.13773	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	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.86202	0.7
56.50312	0.7
58.32993	0.7
59.01381	100.0
60.01742	0.7
61.98838	0.9
62.77023	0.7
66.19357	0.7
80.07767	0.7
81.61874	0.8
96.96019	2.1
98.19930	1.8
105.78403	0.9
105.97012	1.0
109.18523	0.8
123.59585	0.7
144.32196	0.8
204.13629	0.7
283.40094	0.9
313.33820	0.8
321.20688	53.5
322.20959	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.82940	0.2
55.93425	0.1
58.02970	1.9
59.01371	0.5
64.98454	0.1
68.79684	0.2
70.36707	0.2
70.37035	0.4
71.01353	0.2
81.03471	0.5
83.05040	0.2
95.05037	0.5
96.96016	0.3
97.06574	0.4
98.44746	0.2
101.02440	0.1
109.06609	0.9
121.52418	0.1
128.10820	6.9
130.08737	100.0
131.09085	2.6
135.24019	0.2
165.12865	0.9
172.09804	0.5
190.03354	0.2
290.53149	0.2
322.20209	29.5
323.05609	0.4
323.20599	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83646	1.0
56.97720	0.9
59.01382	100.0
67.83141	0.9
70.16962	3.2
71.01379	3.3
85.02961	1.0
89.02444	3.8
101.02441	2.7
113.02460	1.3
119.03500	1.5
159.00871	1.0
173.11839	6.9
321.04007	2.7
321.15384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89537	0.8
53.06282	0.8
59.01385	100.0
60.29910	0.8
70.16912	2.2
71.01385	3.2
85.02946	1.2
89.02475	4.5
97.52822	0.8
98.20017	0.9
101.02444	1.2
113.02501	0.9
119.03485	1.1
128.03648	0.8
147.86026	0.7
173.11848	7.1
202.99911	1.7
210.50427	0.8
321.04022	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	321.0824
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
51.21682	2.0
53.46099	2.0
55.01882	5.1
56.51153	2.2
57.03441	4.7
58.02971	20.8
59.01382	49.1
60.53306	2.8
69.03458	6.0
70.37869	2.1
70.91933	2.3
71.01383	45.2
71.50277	2.2
72.99300	6.4
73.02940	15.6
74.02527	2.5
76.42319	2.4
78.95906	18.0
81.03474	2.5
83.01402	6.4
83.65894	2.6
84.95144	2.4
85.02949	32.4
87.00877	76.6
88.02196	2.3
88.04044	4.1
89.02450	17.0
93.03465	7.0
95.01406	4.3
96.96964	4.5
97.02950	34.4
98.06128	11.8
99.00881	18.0
99.04521	3.1
100.04056	13.1
101.02447	19.3
102.05595	2.7
103.04040	8.0
111.00877	13.8
111.04545	5.0
113.02468	19.7
113.99595	2.8
114.05607	4.5
115.00378	11.3
115.04047	2.9
116.07188	2.3
118.05119	3.0
119.03517	4.4
125.02469	3.2
127.00370	2.8
128.03551	5.5
128.07196	26.1
129.01952	5.8
141.01949	17.3
142.05095	27.7
143.03525	2.9
144.78609	2.5
145.01401	2.6
149.00938	12.1
156.03410	2.8
157.01445	8.0
159.02998	6.2
160.06155	37.7
164.89542	65.6
172.96605	2.2
173.02673	5.2
173.04555	25.3
173.08162	6.0
175.02472	36.0
189.02235	2.3
191.03717	4.3
205.06348	4.2
217.03551	11.8
231.05141	6.8
251.33708	2.6
261.06201	4.1
275.97528	2.2
281.44720	2.6
303.07147	5.2
321.08627	40.2
322.08286	7.3
322.11435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	25.0
59.01382	21.6
69.68713	10.6
70.02968	1.9
71.01387	29.0
74.25466	2.1
79.81997	1.6
83.54882	1.6
84.04533	1.9
85.02953	4.6
85.06608	2.0
87.00890	2.7
88.04037	100.0
90.72601	1.8
92.05034	3.6
93.03452	1.8
96.52716	2.2
96.99311	2.7
98.20559	2.5
112.04039	5.6
114.01965	22.4
115.00373	47.0
118.02998	3.7
128.03537	6.1
130.05093	19.3
132.03018	42.5
134.06102	2.5
135.04486	3.4
144.04541	40.0
146.02464	17.1
146.06133	3.8
148.04034	5.0
149.00890	7.7
156.03003	6.8
160.04028	3.7
169.04066	4.2
172.04047	2.0
173.04553	6.8
174.04045	54.3
187.05110	34.8
189.01807	1.8
191.05597	2.3
205.06178	5.2
206.04616	3.1
215.08228	6.8
237.28593	1.9
241.06139	4.1
259.07245	25.9
283.48224	1.9
289.07108	2.2
303.06256	16.1
321.07281	48.7
321.11572	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	3.4
59.01383	11.8
71.01383	33.7
71.36848	2.7
85.02943	3.9
85.06599	3.3
86.68987	1.8
88.04044	22.4
89.02456	3.3
93.03471	3.7
97.02966	1.6
101.02444	3.7
109.02959	4.6
111.70824	1.6
114.01968	5.0
115.00378	59.3
116.05099	3.0
118.03053	2.4
119.03524	1.9
130.05110	4.9
132.03024	15.9
135.04541	4.1
139.00323	2.4
141.05518	2.6
144.04553	100.0
145.04910	4.0
146.02483	7.1
146.06168	2.3
149.00909	5.6
159.06657	3.0
160.04065	8.4
162.05617	5.4
169.04034	5.4
173.04568	9.3
173.08177	2.2
174.04109	12.7
179.03468	4.8
187.05125	60.8
188.03539	5.9
191.05592	2.7
197.07164	3.7
205.06294	3.0
206.04626	5.7
215.08252	7.2
241.06175	10.3
244.77809	1.9
259.07230	49.2
260.07562	3.5
289.07162	3.2
303.06189	27.6
304.06845	1.8
321.07288	76.1
321.11725	9.4
322.07495	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	321.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.2
59.01381	5.6
65.96421	0.1
69.31757	0.1
69.33897	1.2
70.46961	0.1
70.99882	0.6
72.99314	11.0
73.99642	0.2
75.00876	0.3
80.40672	0.1
86.99448	0.7
87.00884	21.1
88.01212	0.2
98.99397	0.2
102.98914	0.8
103.00378	4.5
105.01945	1.1
110.99413	0.2
112.98721	0.2
114.98885	2.2
126.98888	1.8
130.98340	0.3
130.99893	1.3
132.92159	0.1
141.00458	0.4
141.86469	0.1
146.34720	0.1
149.00926	100.0
150.01279	2.1
154.39578	0.2
154.98369	1.6
156.99911	0.3
164.71394	0.2
169.00026	0.2
170.97862	1.2
170.99152	0.4
172.99356	0.3
182.97862	0.9
186.97380	0.3
188.98932	0.9
190.04138	0.2
212.98764	0.1
226.96848	1.0
231.00041	0.7
244.97893	5.5
245.97984	0.5
246.99471	1.5
302.98416	0.5
321.00742	3.7
322.01196	0.2
322.04630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.9948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73309	0.5
54.39042	0.6
58.99885	1.9
70.30025	1.3
70.30391	1.4
70.99884	9.5
72.99313	7.1
74.44128	0.5
74.99377	2.8
81.01187	0.6
85.01466	0.7
86.99373	14.3
87.00860	1.0
98.99378	7.3
101.00939	5.0
102.98872	17.3
103.98945	0.8
110.99376	4.9
113.67155	0.6
114.98875	38.1
115.99016	1.7
117.97573	0.7
120.45750	0.6
126.98871	32.9
127.99010	1.8
130.98384	5.8
131.98427	0.6
136.93954	0.8
141.00441	4.2
143.99129	0.7
149.00938	2.5
153.00427	1.5
154.98366	27.7
155.98547	2.1
156.99925	6.7
162.56273	0.6
168.99881	3.7
170.97845	25.5
171.98109	1.0
172.99390	4.9
178.95026	1.5
182.97850	20.7
183.97961	1.3
184.99442	3.9
186.97340	6.5
188.98900	15.7
189.99165	1.1
196.83029	0.7
198.74655	0.6
198.97368	0.7
212.98926	2.9
226.96823	24.2
227.96918	1.9
228.98393	2.1
230.99948	18.5
232.00182	1.2
240.98441	1.1
244.97868	100.0
245.98035	8.8
246.99442	24.0
247.99699	2.1
258.99463	2.5
302.98389	7.6
303.98508	1.2
320.99460	22.6
321.99930	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	320.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47347	0.3
57.59649	0.3
59.01372	2.4
65.62914	0.4
67.99993	0.4
71.05031	0.4
71.14529	0.3
72.39635	0.4
74.14008	0.4
80.79523	0.4
85.02939	0.9
92.69144	0.4
98.20682	0.9
101.31896	0.4
105.05842	0.6
106.77299	0.5
119.07402	0.9
132.08194	0.6
133.81523	0.4
134.09763	43.3
135.10135	1.7
148.11308	0.5
161.08434	1.2
174.09198	0.7
175.10020	1.6
190.12375	100.0
191.12730	4.6
191.74924	0.4
214.16019	0.5
230.11766	0.5
232.17033	2.5
246.11201	0.6
258.14993	1.0
276.16049	20.4
277.16370	1.5
302.14001	3.1
311.00879	0.4
314.90964	0.4
320.15039	12.5
321.15387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0917
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
58.02970	1.0
58.40401	0.7
59.01380	10.8
60.37894	0.8
70.02979	1.2
70.79192	2.3
71.01379	5.9
72.99313	1.0
74.02464	1.8
81.04591	2.8
82.02470	0.8
82.02990	3.2
84.00920	5.4
84.04549	2.1
84.52341	0.9
84.63540	1.0
85.02988	1.3
86.02495	1.4
87.00890	2.9
89.02456	5.2
97.04081	2.9
98.02489	1.9
99.02007	1.3
99.05683	0.9
101.02470	3.2
109.02887	0.9
109.04070	1.9
110.02437	1.1
111.01985	1.1
112.04041	1.1
113.02456	2.4
113.03588	4.0
114.05624	2.7
119.03525	1.4
123.05697	1.3
125.03577	36.9
127.05148	50.3
128.03552	100.0
129.03882	2.3
129.05672	0.9
140.07190	3.0
145.06192	5.9
149.00925	8.8
157.06186	9.6
159.02321	2.0
159.07767	7.4
173.04556	1.4
180.07800	1.1
181.06146	1.6
182.08214	2.2
189.07822	0.9
191.05212	1.1
192.07790	1.6
200.09200	1.2
210.08842	14.3
211.09279	1.1
224.06778	1.4
236.06833	1.9
242.11414	2.4
268.09412	2.5
286.10468	10.9
293.84113	1.0
311.37891	1.0
320.09256	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	319.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
59.01380	17.9
62.61811	1.2
71.01389	8.5
71.22394	2.4
72.99310	100.0
73.02951	8.2
75.00859	1.6
83.01382	2.6
85.02946	7.5
87.00875	2.6
89.81217	1.3
96.96015	3.4
99.00880	4.3
101.02438	15.6
101.15189	1.3
105.01934	40.8
113.02445	2.7
140.00362	1.6
141.48595	1.2
161.00906	9.2
244.29848	1.5
319.17599	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	319.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90417	0.7
55.01671	0.8
55.01879	8.9
57.03455	6.7
58.00584	3.3
59.01379	63.4
59.37466	0.9
69.03457	0.9
71.01379	61.4
72.99304	6.1
73.02948	32.0
81.03481	0.9
83.01387	19.6
85.02950	39.2
86.00099	4.6
87.00865	3.4
89.02435	12.1
95.01384	4.1
97.02914	1.1
99.00883	11.8
101.02440	100.0
102.02789	1.3
111.00910	2.0
113.02444	20.7
113.29863	1.0
115.80645	0.7
119.03520	4.2
125.02441	0.9
129.01929	1.0
141.01921	1.0
143.03513	2.4
155.14462	1.5
157.15977	1.1
159.02972	3.2
161.04549	7.1
167.39429	0.9
227.16464	1.5
266.25314	0.8
317.42807	0.9
319.15628	1.7
319.21243	25.1
320.21478	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	319.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46764	0.7
58.02972	9.3
66.96782	0.7
69.52016	2.3
69.52450	3.2
69.77892	0.6
72.00908	5.2
73.90222	0.7
76.20153	0.9
80.34588	0.7
82.06627	3.3
90.34157	0.6
91.05532	11.0
97.51653	0.7
98.19881	1.0
112.07680	3.7
115.11112	0.6
116.05074	0.8
118.06617	2.7
126.09235	1.6
129.10339	84.5
130.10681	1.9
147.04517	31.2
148.04852	1.1
153.10335	3.1
154.08737	14.1
155.11928	0.8
164.07158	69.8
165.07500	2.1
171.11385	60.3
172.11757	2.2
183.11411	0.8
216.13951	2.0
233.16595	36.8
234.16908	2.6
275.17618	6.8
276.17889	0.9
277.15506	3.1
319.16599	100.0
320.16925	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	319.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	1.6
70.74065	0.8
71.01389	0.5
72.99307	100.0
73.99654	0.8
75.00878	1.5
82.19868	0.4
87.00867	0.8
96.58537	0.3
96.96014	0.9
97.76894	0.3
105.01935	45.5
106.02286	0.5
115.89610	0.3
161.00905	10.3
259.82852	0.4
319.17737	3.3
319.21149	0.4
319.22690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43950	0.4
58.00593	0.5
59.01379	17.0
71.01373	1.3
71.05018	3.1
71.52711	0.7
72.99300	1.6
75.61501	0.4
81.03474	0.5
84.99315	1.1
85.02959	0.8
87.00871	12.7
89.02463	0.6
93.03430	1.0
97.06566	0.7
99.00899	0.7
99.08176	2.8
101.02441	1.0
103.00376	10.5
108.04579	0.6
109.02941	0.6
112.96104	0.4
112.98810	19.8
112.99597	1.1
113.02432	0.7
113.99150	0.5
117.03447	1.6
119.05025	2.0
122.06153	0.8
129.84875	0.5
130.99881	2.3
134.06059	0.6
135.04530	1.0
141.12859	6.4
145.02953	7.5
149.00925	1.5
150.05591	1.0
151.11259	0.7
152.03595	0.6
163.03996	0.8
169.12328	0.6
173.04494	0.7
180.02986	0.7
185.11932	0.9
187.13387	100.0
188.13718	4.2
191.05676	0.6
194.04611	0.8
201.10291	1.5
227.11855	0.8
245.12993	1.0
257.09280	0.6
257.12903	0.8
275.10352	2.6
279.88858	0.6
319.08624	1.6
319.13525	6.4
319.21362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
58.00577	0.8
58.39754	0.5
59.01381	23.2
69.46261	3.6
72.99310	1.4
84.99297	1.3
87.00877	13.7
93.03436	0.5
94.14648	0.6
96.54208	0.5
98.20659	0.7
103.00376	12.6
112.98815	22.8
117.03489	1.5
119.05052	0.8
130.99898	2.2
141.12848	3.5
145.02974	5.2
149.00897	1.8
169.12318	1.3
185.11784	1.4
187.13397	100.0
188.13713	5.0
244.38422	0.6
254.82541	0.7
275.13409	0.6
319.08322	1.2
319.14044	5.5
320.14670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01877	1.7
57.03458	1.1
58.00586	1.2
59.01383	40.5
65.69641	0.8
69.63667	4.8
71.01384	24.7
72.01771	0.9
72.99298	2.1
73.02953	2.6
80.78561	0.8
83.01395	2.9
85.02946	6.0
87.00862	2.6
89.02457	16.1
95.01414	1.7
99.00870	1.0
101.02452	16.7
103.39700	0.9
111.08171	19.8
113.02454	7.4
119.03497	6.3
127.05173	1.2
128.03543	1.0
139.07646	5.2
153.09222	1.2
157.08713	67.5
158.09018	2.9
199.09773	1.5
216.83350	0.8
319.13992	100.0
320.14517	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	319.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23907	0.6
55.01889	0.7
59.01381	1.8
68.39265	0.6
71.01398	1.5
71.05022	8.2
77.03954	0.6
80.96547	0.7
81.65439	0.6
83.01367	0.8
85.02955	1.2
93.03468	0.9
95.05025	19.1
97.02947	29.9
98.19835	0.9
109.02943	15.5
110.99275	0.6
115.03998	4.4
121.02941	0.7
128.03618	0.7
137.02444	1.9
139.04012	60.4
140.04372	1.7
153.01933	28.5
165.01935	11.0
183.02977	100.0
184.03319	3.3
197.04393	0.7
201.10353	1.0
248.12944	0.7
288.06622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
62.40855	1.3
69.20312	13.7
70.02977	11.8
71.01379	6.2
72.00916	11.7
72.99315	18.4
74.02485	14.5
78.06490	1.4
82.02973	2.6
84.04552	3.8
85.02973	3.1
96.00916	5.3
96.96047	1.9
98.02460	2.7
99.00922	7.4
109.01699	69.6
110.02492	83.2
111.97941	1.3
112.00391	2.5
112.04001	2.0
114.01950	10.3
116.05074	40.4
128.03558	7.2
130.05099	2.0
130.06612	6.8
132.32005	1.4
135.04526	4.7
142.06613	12.3
143.06955	1.8
145.02942	2.6
154.01454	3.5
157.07730	13.1
159.09280	6.7
169.07729	2.3
186.05597	4.8
195.09256	2.3
197.07201	4.3
201.10350	4.1
203.08272	67.3
204.08542	3.0
213.10422	7.3
215.08228	2.4
221.07214	3.3
239.08218	5.0
241.06291	2.9
245.09293	4.5
257.09329	4.5
275.10260	2.5
283.07254	100.0
284.07510	8.5
301.08267	28.8
319.08997	5.7
319.12933	2.0
322.90973	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	318.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
58.00577	3.2
59.01378	68.2
71.01381	38.6
71.50682	1.9
71.51089	1.1
72.99297	4.3
73.02928	2.6
74.67554	0.9
74.95917	1.0
76.45162	1.1
78.95903	1.3
79.80972	1.1
80.96497	1.1
83.01390	2.3
85.02940	8.3
87.00881	2.7
89.02443	34.0
90.79093	0.9
92.11823	1.1
95.01387	3.3
98.02474	1.5
100.35402	1.1
101.02444	28.1
107.42055	1.0
112.04052	3.5
112.07639	1.5
113.02431	17.0
117.11404	1.0
119.03502	16.1
126.05603	2.1
129.50092	1.2
131.03592	1.2
131.56467	1.0
138.05603	21.5
140.01164	5.6
141.01497	2.3
143.03470	1.5
152.74629	1.0
155.03506	2.9
156.03789	2.9
156.06653	14.4
161.04552	2.2
179.05592	1.5
226.61397	1.0
273.10239	1.1
304.10309	1.1
310.38138	1.0
318.11917	100.0
319.12466	5.3
330.15405	1.1
333.64529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
58.00599	1.2
59.01378	15.2
71.00078	2.9
71.01387	7.3
71.05015	7.3
72.00958	1.0
72.99329	1.5
73.02937	1.8
74.17803	1.1
76.18300	1.2
78.80500	1.3
81.03463	1.6
83.01389	2.3
83.05025	2.8
85.02945	3.0
85.06592	4.5
89.02431	6.4
91.04011	7.5
95.05032	1.2
97.02953	3.9
97.06586	3.7
99.00266	2.1
99.00880	29.3
99.04532	1.2
101.02464	6.4
107.31448	1.4
108.04523	1.3
109.06586	2.3
112.98803	2.5
113.02445	3.2
123.08162	2.8
125.09715	13.1
127.11282	2.0
130.06641	1.3
142.18257	1.2
142.95058	1.2
153.12852	1.9
161.04562	2.8
163.11295	17.3
166.00998	2.0
166.42767	1.1
181.12341	64.5
182.12679	3.4
185.11867	5.7
197.11900	2.3
199.08733	1.7
199.13396	38.0
200.13762	2.4
207.10268	46.4
208.10588	2.6
225.11327	100.0
226.11636	5.3
240.09056	1.6
243.12383	93.5
244.12671	4.2
255.11418	4.3
273.12494	11.2
298.73224	1.2
300.24921	1.2
317.01968	1.3
317.11874	6.4
317.16061	79.3
317.19641	6.1
318.16348	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.3
58.00592	2.2
59.01376	29.9
69.03419	0.9
70.30836	0.8
71.01387	7.2
71.05026	7.9
71.31331	0.9
71.50010	0.9
72.99306	3.3
80.30894	0.8
83.05029	1.2
85.06590	7.0
87.00875	2.7
89.02439	17.2
91.04008	58.1
97.06570	1.9
99.08160	2.2
103.00352	1.4
106.10080	0.8
111.04459	0.8
111.08154	2.3
112.98811	1.5
125.09706	5.3
133.06012	0.9
146.61093	0.9
149.00912	3.2
153.12860	2.1
163.11328	1.5
181.12340	30.8
182.12650	1.2
185.11810	8.0
197.11804	3.2
199.13388	100.0
200.13716	5.6
225.11314	28.5
225.13522	1.3
226.07358	1.5
226.11624	1.5
240.09013	2.1
243.12315	5.9
255.11403	2.7
317.11343	3.4
317.15994	19.9
317.19577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52035	0.6
57.03444	0.7
57.72877	0.7
58.00610	0.7
59.01101	1.1
59.01379	10.5
66.27324	0.7
67.35342	0.6
69.56883	1.7
69.57295	2.7
72.99308	1.2
74.93266	0.7
85.06585	34.1
87.00876	10.4
99.08189	0.7
99.63428	0.7
100.36371	0.8
103.00368	5.6
108.82156	0.7
112.98803	13.2
117.11176	0.7
122.06069	0.8
130.99834	1.6
136.07680	1.0
149.00911	3.6
185.11815	100.0
186.12221	4.6
255.11478	1.6
273.12411	7.8
287.09222	1.1
317.06604	1.0
317.12308	3.2
317.19714	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	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96945	0.7
56.38389	0.7
56.45797	0.7
59.01378	18.0
59.66150	0.6
69.28992	4.5
69.29396	2.1
71.05024	7.2
72.99300	1.4
73.76878	0.8
76.02425	0.8
84.99325	1.0
87.00876	13.6
103.00378	9.3
112.98806	18.4
113.06079	10.1
130.99876	1.8
133.31454	0.8
143.07112	5.0
149.00883	1.1
167.10768	1.6
185.11815	100.0
186.12184	4.8
199.13370	23.8
199.16223	0.9
199.92886	0.8
236.71286	0.7
273.12439	2.3
317.12180	3.2
317.16055	2.7
317.20065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38418	2.6
74.49552	1.2
80.05029	2.6
94.06597	1.8
104.05063	1.1
108.13923	1.2
109.05354	1.9
120.04550	2.5
122.06117	8.7
124.07708	6.8
125.02384	1.4
136.04059	2.0
140.07240	1.2
143.88890	1.2
148.04050	17.3
148.07683	3.6
150.03210	3.6
150.05614	5.1
151.00346	7.3
155.73155	1.4
165.05571	1.6
172.34474	1.1
184.06415	2.0
189.54021	1.2
194.04582	1.2
197.07167	5.0
198.07858	2.9
211.08734	2.6
212.09314	5.4
213.10304	9.5
214.82114	1.0
225.06677	63.4
226.07404	8.3
226.11075	4.0
227.11906	10.6
228.10306	1.1
239.08250	4.2
240.09010	51.4
241.09363	3.9
245.12909	1.2
254.10519	1.4
255.11382	85.9
256.11737	7.6
273.12451	40.6
273.14963	0.8
274.12750	4.2
317.11392	100.0
317.23370	2.6
318.11603	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	317.0667
Annotation	3,5,2',3'-Tetrahydroxy-7-methoxyflavanone
Peak:m/z	Relative Intensity
57.03445	0.6
59.01377	1.5
61.35489	0.5
65.00304	1.1
67.01891	3.4
68.99815	6.1
69.03455	2.8
72.50243	0.4
81.03461	1.9
83.01395	6.5
85.02972	1.4
86.01609	0.4
93.03477	2.4
95.01399	1.3
95.05016	1.5
96.90481	0.4
97.02959	13.7
98.20742	1.0
99.04500	0.6
107.01422	0.7
107.05002	0.5
108.02157	0.8
109.02232	0.9
109.02966	16.5
111.00877	3.2
121.02972	5.1
122.03759	0.6
122.06117	0.5
123.00900	1.6
123.04536	14.0
124.01643	0.5
124.07695	0.6
125.02445	8.3
135.04501	1.7
137.02458	3.2
138.03247	1.5
139.04036	7.8
145.02960	0.5
146.03703	0.9
148.04068	1.0
149.02452	19.2
149.06143	0.6
150.03127	1.4
151.00417	1.4
151.03995	6.3
153.01958	8.6
155.10696	0.5
155.50697	0.4
157.06581	0.5
159.04520	2.7
160.05321	0.9
161.02429	1.6
161.06088	3.8
162.03206	1.6
163.00368	1.5
163.03983	1.2
164.01160	0.9
165.01942	11.2
165.10936	0.4
166.02721	3.4
167.03520	3.2
173.06044	0.7
174.03264	0.5
175.03961	1.2
175.07668	0.9
177.05585	1.0
179.03500	3.0
181.12411	0.6
185.06050	1.0
187.04085	3.2
188.04819	2.2
189.01999	0.5
189.05560	0.6
190.02705	0.9
192.00632	1.8
193.01411	5.1
194.02240	0.7
195.03015	3.7
198.01642	0.6
199.13422	0.6
201.05626	1.5
202.06201	0.6
203.07132	9.3
205.05086	7.2
207.02989	3.4
208.03682	0.5
213.05563	1.5
221.08107	1.2
225.11317	0.6
227.07143	1.5
229.04980	2.6
230.05754	1.1
231.03029	1.1
231.06544	4.0
245.08209	5.4
247.06105	10.4
248.06412	0.6
255.06641	1.4
260.03195	0.5
271.06049	0.5
273.07651	2.0
273.12424	1.0
289.07208	5.1
317.06662	100.0
318.06952	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	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99844	0.2
59.01373	0.3
68.70123	0.2
74.44733	0.2
83.05038	0.3
98.20755	0.6
135.08163	0.6
136.90334	0.2
163.07700	1.2
163.16522	0.2
164.08473	1.2
191.07150	0.6
196.07359	0.4
201.09261	1.0
203.14391	0.4
215.10698	0.5
229.08665	0.4
229.12512	0.2
231.10374	0.4
231.13943	0.3
243.10242	2.0
244.11009	2.4
254.16713	3.0
255.17166	0.3
257.11792	0.9
257.15359	0.6
267.13879	0.7
269.19101	4.0
271.16928	0.4
272.14145	0.5
282.16275	2.4
285.18741	0.3
287.20139	4.2
288.20609	0.3
297.18570	0.7
299.16507	0.7
300.17215	0.8
315.19623	100.0
316.19958	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	316.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
65.99846	0.4
69.65273	1.0
69.66248	0.2
75.20585	0.2
87.00880	0.4
94.95546	0.2
103.69154	0.2
116.92866	0.2
123.00867	2.4
124.01665	6.6
130.08771	0.5
139.98494	0.3
153.00661	2.3
154.01454	100.0
155.01849	2.2
172.04132	0.2
174.38290	0.2
177.04260	0.2
286.17566	0.3
316.06693	12.0
317.06949	0.8
317.11453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83997	0.2
68.43162	0.2
69.87518	0.2
70.18150	0.7
89.61461	0.2
103.69827	0.2
118.57843	0.2
134.95427	0.2
170.68338	0.2
217.08687	0.3
217.61012	0.2
229.08696	2.7
230.09380	0.3
243.10191	0.8
244.11006	3.5
245.11266	0.3
257.11841	0.6
264.87393	0.2
265.65726	0.2
285.14993	1.1
299.16574	1.4
300.17258	0.8
300.73239	0.2
315.19632	100.0
316.19989	9.4
316.23746	0.3
318.14572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
68.01184	1.4
69.16490	15.6
71.01372	2.3
72.99337	1.7
73.04066	9.2
82.02976	12.1
83.01378	5.4
84.00928	11.9
87.00878	2.6
87.50409	1.3
93.03484	3.2
94.02972	4.7
96.04549	23.8
98.02477	11.7
98.19916	2.5
100.04042	4.8
102.85833	1.4
109.02945	3.5
110.02486	2.0
110.82529	1.4
112.04047	17.1
114.05595	2.7
114.09251	1.9
122.02480	6.9
123.04523	1.5
128.07196	1.8
130.08740	100.0
131.09097	2.7
132.13596	1.5
135.04555	8.2
137.02409	2.2
140.03499	4.2
140.07118	4.6
141.10339	3.4
143.11897	82.8
144.12276	2.3
155.04584	2.4
155.26787	1.3
156.03036	10.0
166.01439	25.0
169.09834	3.1
173.04541	2.0
176.04033	7.5
176.54221	2.8
178.03877	3.5
179.03490	3.5
179.11861	3.3
184.02504	6.4
187.10887	13.2
207.11403	2.2
209.12941	30.2
223.11086	2.1
225.12422	5.5
227.14043	2.4
253.11934	47.6
254.12166	1.9
257.06558	2.3
269.11423	50.1
270.11685	2.4
271.13016	10.7
279.09741	2.9
297.10892	34.1
298.11169	1.7
315.11972	77.3
316.12314	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.8
71.01373	1.3
71.51768	2.1
72.04558	1.5
73.04070	9.0
74.02473	1.2
76.32404	1.3
79.95751	1.1
81.02196	2.4
82.02975	9.8
83.01389	5.4
84.00893	9.5
89.29695	1.1
94.02980	3.9
95.77223	1.0
96.00910	1.1
96.04559	23.6
98.02477	11.8
100.04031	4.5
107.36672	1.3
109.02964	3.9
110.02462	1.6
112.04045	14.8
114.05594	1.4
114.09209	2.0
122.02499	7.6
123.08156	1.4
124.55669	1.3
128.07196	1.4
130.08736	100.0
135.04457	1.8
139.05101	3.0
140.03484	2.0
140.07159	4.6
141.10310	5.9
143.11897	83.1
144.12238	2.0
149.06209	1.3
153.01915	5.2
156.03073	9.5
157.75606	1.1
166.01440	21.3
169.09853	2.2
173.04547	2.6
178.03838	3.7
179.11884	2.5
184.02458	8.4
187.10860	10.6
191.11902	2.6
199.14555	2.0
207.11446	1.2
209.12932	27.2
210.13220	2.1
223.10869	2.3
225.12488	6.9
242.05855	4.0
253.11909	50.2
254.12106	2.3
261.60974	1.2
269.11417	47.3
270.11746	3.4
271.09726	6.1
271.12921	8.3
279.09946	1.9
297.10919	32.4
315.11957	81.8
316.12125	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	33.6
59.01381	32.4
60.01714	1.4
67.48512	1.4
69.03458	2.6
71.05037	4.0
72.99316	3.9
83.05032	6.6
84.99296	2.4
85.02973	1.6
85.06564	1.7
85.75703	1.3
87.00878	24.4
103.00375	17.5
109.02965	3.3
112.98817	33.4
130.99846	4.2
135.04506	7.5
137.09723	12.2
139.11292	28.6
149.00932	4.4
150.05623	1.7
151.04028	1.7
183.10255	100.0
184.10597	3.9
315.10721	9.4
315.14197	1.9
315.17776	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	315.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39106	1.6
57.03447	40.7
58.00597	2.1
59.01381	38.4
69.03436	2.9
69.88644	7.1
71.01382	2.3
71.05003	2.6
72.99295	4.9
76.93522	1.5
83.05035	7.1
84.99342	2.0
85.02968	2.5
87.00876	26.8
103.00387	20.7
109.02942	3.0
112.98806	43.5
117.79965	1.6
119.08672	2.0
121.10252	3.0
122.02302	2.2
130.99844	5.6
135.04543	3.6
137.03583	1.8
137.09746	15.9
139.10225	2.6
139.11290	32.3
149.00906	5.1
153.05507	2.9
178.99280	1.6
181.92186	2.0
183.10257	100.0
184.10669	2.4
245.64438	1.8
298.43600	2.0
315.10684	6.8
315.14206	3.0
315.21326	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	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.0
69.40914	6.2
69.41328	6.5
71.01408	1.6
72.99301	1.6
75.65057	1.4
87.00876	14.3
93.07102	1.5
93.55145	1.5
98.19748	1.6
103.00348	9.9
112.98811	19.0
121.10246	10.8
129.84004	1.6
130.99879	3.0
149.00922	3.6
165.09181	7.3
183.10263	100.0
184.10579	5.1
224.66223	1.7
315.10770	4.0
315.14297	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	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00891	0.7
59.01379	23.1
59.71138	0.7
69.03457	9.4
69.46457	6.0
72.99318	1.7
84.99310	1.6
87.00883	14.5
97.06588	1.6
98.19884	1.0
103.00376	9.7
112.98809	18.1
113.06087	19.8
124.50409	0.9
130.99869	2.2
135.34929	0.7
138.14645	0.7
139.11311	2.2
149.00906	1.5
153.09206	1.4
159.49887	0.7
165.09175	1.8
183.10262	100.0
184.10535	4.7
279.48746	0.8
315.11008	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.58481	0.5
53.90603	0.5
59.01394	0.6
62.10860	0.5
70.63305	0.7
70.63642	1.3
70.69071	0.6
71.01398	2.2
73.02963	0.9
81.03440	1.0
85.02949	1.9
95.01411	1.2
101.02436	1.0
102.12061	0.5
108.02183	100.0
109.02982	27.6
110.03239	0.8
113.02431	0.9
121.02952	1.6
123.00928	0.9
123.04549	1.2
133.02966	0.7
135.04547	1.0
151.03992	1.8
151.44975	0.5
152.01160	67.4
153.01950	27.7
154.02271	1.1
163.04024	1.2
165.01906	1.9
177.45204	0.5
182.12834	0.6
195.03030	0.8
315.07233	80.2
316.07574	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	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
56.58334	0.7
59.01363	1.6
61.98796	0.9
66.20107	0.7
70.58175	1.6
70.58577	1.8
71.01387	0.9
72.39230	0.8
74.06120	1.0
80.22528	0.8
113.05940	0.8
118.05111	1.7
187.85043	0.8
196.86328	0.7
223.20746	1.1
230.99121	1.1
243.10219	1.4
253.21777	1.0
268.26682	1.9
270.24133	1.8
282.24203	1.0
283.39218	0.7
314.27002	100.0
314.95740	1.9
315.19623	27.1
315.27783	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	315.051
Annotation	Tricetin 4'-methyl ether
Peak:m/z	Relative Intensity
53.28282	0.3
59.01377	0.4
71.52973	0.4
75.44321	0.3
79.31924	0.3
91.01856	0.3
96.96003	0.3
107.01362	0.7
108.02171	2.5
109.02956	0.5
119.34147	0.4
135.00868	1.0
137.02414	0.8
148.01683	2.7
151.00352	1.1
163.00438	0.7
164.01151	1.1
178.99796	0.3
183.04356	0.3
192.00641	0.5
199.03920	1.1
211.03888	0.7
211.77974	0.4
215.03577	1.1
216.04265	0.9
222.78835	0.3
224.80775	0.3
226.02727	1.3
227.03514	2.8
233.17198	0.3
243.02989	12.4
244.03369	0.9
254.02214	2.6
255.02986	27.0
256.03354	2.2
271.02475	60.7
272.02859	5.0
273.83197	0.4
299.01932	1.6
300.02747	100.0
301.03122	6.8
315.05106	45.6
315.14603	0.7
315.17905	0.5
316.05432	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	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
58.00600	3.0
59.01379	5.4
70.02985	1.7
71.01382	12.4
71.22172	3.0
72.00906	8.5
72.02158	1.3
72.04531	2.0
73.02940	20.3
80.02671	1.6
80.40173	1.4
83.05021	4.4
86.02496	5.4
88.03997	1.4
100.50744	1.3
179.14787	1.2
197.19185	1.5
221.19113	12.7
223.20660	72.6
224.21001	5.7
225.22258	11.5
235.20674	5.2
237.22287	3.1
239.20264	1.5
251.20209	6.7
253.21707	100.0
254.22028	6.1
264.23373	7.1
266.24918	3.4
280.22769	2.0
282.24356	56.2
283.24713	4.0
292.22861	1.8
314.27002	18.8
314.97827	2.4
315.19629	5.0
315.27695	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	314.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
60.99312	2.0
69.03458	0.6
69.23535	5.7
71.01371	0.6
72.00905	2.8
72.04549	2.6
74.02473	100.0
75.02802	0.8
83.05028	1.1
84.04552	1.8
86.02476	1.6
88.04031	1.7
97.06595	1.0
104.03535	20.5
111.08145	1.5
115.00361	0.9
125.65221	0.6
136.08984	0.5
165.12846	9.9
169.92616	0.6
171.22096	0.6
181.15941	1.6
183.13930	2.7
190.16039	0.7
194.15434	1.3
196.17017	1.1
199.41866	0.5
208.17055	62.9
209.11836	1.0
209.17435	4.2
222.14975	19.1
223.15256	1.3
227.12834	3.7
234.14967	2.4
240.16016	7.2
252.13396	1.0
252.16028	17.9
253.16441	1.3
266.13940	10.6
267.14087	0.7
269.28125	0.6
270.17078	1.8
270.25833	0.7
278.14136	0.9
284.15030	15.2
285.15369	0.9
296.15015	7.1
314.16083	75.4
315.16586	4.9
336.61728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
59.01392	16.3
70.63969	11.9
71.01385	49.0
71.69752	3.1
72.79633	3.2
73.02933	10.0
83.01395	6.0
85.02972	27.4
85.34721	3.1
87.00890	4.2
87.04949	3.6
89.60046	3.6
93.03476	4.4
95.01401	3.5
99.00883	6.1
101.02470	21.9
101.84997	3.4
106.04261	11.5
107.05039	100.0
108.02184	5.4
113.02483	13.5
119.05009	4.3
121.02981	8.9
137.02470	3.9
151.02884	6.0
151.04030	85.1
159.03067	3.8
161.04601	7.6
179.68828	3.4
184.64087	3.8
218.10123	3.1
277.14395	3.9
313.05792	4.5
313.09213	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.83901	0.7
59.01379	100.0
60.47441	0.7
71.51827	0.8
89.02460	0.7
89.04293	1.0
105.97232	0.7
108.12876	0.7
108.24245	0.7
121.02958	1.6
122.13244	0.6
152.33969	0.9
158.01172	0.6
198.62505	0.6
223.02794	5.0
224.03334	0.9
225.22308	1.1
253.21771	4.3
271.22784	42.6
272.23145	2.9
313.03528	1.6
313.17532	2.5
313.23871	15.4
313.27243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01870	6.3
57.03450	11.7
59.01379	35.4
59.55275	2.5
69.65078	12.2
71.01382	65.1
72.99292	3.3
73.02952	20.7
74.54459	1.9
75.00861	5.1
83.01389	11.1
83.05048	2.5
85.02953	69.2
87.00890	3.4
89.02439	8.4
90.55185	2.3
93.03457	37.2
95.01415	2.6
99.00886	7.2
101.02441	44.7
107.05038	25.8
108.02191	3.1
109.03010	4.1
111.00833	3.3
113.02449	21.1
119.05006	2.9
121.02976	8.6
122.64488	2.0
123.04508	5.8
129.01917	4.6
135.04529	6.0
137.02382	2.8
147.03023	6.2
147.04582	2.5
149.02438	12.9
151.04012	62.8
152.04385	2.0
159.03001	4.3
161.04509	20.1
181.05069	2.6
191.01938	6.9
191.03593	3.7
219.40887	2.3
253.04765	2.4
269.10376	5.3
304.14459	2.1
313.09296	100.0
314.09387	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	313.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
59.88942	0.3
59.96729	0.5
74.99073	11.0
75.96220	0.7
78.03476	0.4
89.02412	0.4
89.04282	13.4
93.00129	3.6
98.31332	0.4
110.87707	0.4
113.25317	0.4
121.02958	0.6
149.00952	7.9
150.98859	0.5
206.99692	3.3
208.97639	0.6
223.02824	100.0
224.02852	7.6
224.38496	0.4
241.03874	1.0
249.41211	0.5
251.23933	0.4
264.98438	1.8
271.22781	2.9
281.01413	0.5
297.04715	9.9
298.04803	1.3
299.02716	0.5
313.03748	0.9
313.07831	6.8
313.17010	1.8
313.23944	1.4
314.07800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01383	0.4
59.53360	0.2
69.69315	0.9
77.03970	0.3
82.29862	0.2
85.73010	0.2
93.03465	0.5
93.92859	0.2
98.20630	0.3
99.00967	0.2
121.02953	100.0
122.03281	3.0
128.73744	0.2
139.92822	0.2
178.99878	0.3
180.05779	0.9
181.06581	4.2
182.06908	0.3
184.55835	0.2
193.72118	0.2
194.17729	0.2
199.00699	0.3
225.05576	7.4
226.05841	0.3
257.33725	0.2
269.08051	0.6
313.03882	0.6
313.07147	14.0
313.14694	0.6
314.07590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.0
57.03450	14.6
59.01382	11.7
69.68020	2.4
69.68410	1.9
71.01400	6.2
72.99303	3.4
73.02960	1.1
75.00880	3.0
82.36597	0.8
82.72092	0.9
83.01403	1.9
83.05047	3.4
84.02171	2.5
85.02954	100.0
86.03316	1.3
87.00875	1.8
89.02451	1.8
98.19961	0.9
99.00916	0.8
101.02438	3.2
103.00391	2.1
109.02936	2.1
111.04554	1.1
113.02482	1.0
115.00404	1.4
121.02953	9.2
129.01956	8.6
147.02991	12.4
150.06934	1.9
151.03996	12.4
151.07686	1.1
152.07191	1.2
163.03931	1.3
167.07162	1.4
173.00922	1.6
191.01978	15.6
191.03474	1.7
193.08752	1.5
233.11786	1.3
269.07880	1.0
313.05917	1.7
313.09323	4.1
313.12976	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	313.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77011	0.3
59.01377	11.2
66.92425	0.4
70.89767	0.8
70.90103	0.5
72.99315	0.6
87.00872	4.7
87.08862	0.4
98.06047	0.5
112.98816	1.3
119.05018	7.3
121.02953	100.0
122.03295	3.1
135.04529	0.4
149.00934	6.6
173.74985	0.4
181.05060	78.5
182.05403	3.0
192.31317	0.4
221.14183	0.6
249.13690	0.6
313.05725	1.1
314.06274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03450	13.3
59.01376	7.2
68.99815	1.2
70.93653	1.2
70.93980	0.8
71.01389	6.7
72.99319	2.9
73.02944	1.7
75.00878	2.8
83.00928	0.6
83.01366	3.2
83.05012	1.0
84.02177	2.9
85.02954	100.0
86.03286	2.0
87.00889	1.3
89.02448	2.2
99.00860	1.1
99.04491	0.9
101.02457	2.3
103.00372	0.9
107.05021	2.3
109.02968	3.6
111.00887	6.0
115.00414	0.8
121.02972	7.9
123.04508	0.8
129.01945	8.7
130.27446	0.5
135.04520	1.1
147.03008	12.8
147.04416	1.1
151.04016	16.2
151.07635	2.3
159.04529	1.7
163.11353	0.7
167.07137	0.8
173.00954	1.8
176.95160	0.6
181.12384	0.7
189.01900	0.9
190.02756	2.0
191.01985	16.2
191.03528	4.3
215.10574	0.6
254.05989	1.1
267.06677	1.7
269.08087	3.0
313.06213	1.2
313.09311	2.2
313.12744	1.1
333.09579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03436	1.8
59.01112	1.5
59.01379	22.3
61.98828	1.4
65.85217	1.2
67.17582	1.4
68.32885	1.1
71.51479	1.5
73.34779	1.2
77.54597	1.3
94.51484	1.1
99.08162	3.4
100.56232	1.3
111.08154	1.3
113.09712	4.6
117.03448	1.8
129.09215	6.4
139.11308	2.4
149.00891	1.8
150.11371	1.3
161.04559	1.2
169.12381	2.1
171.10287	12.7
181.12245	3.9
183.01172	4.3
183.13934	1.7
185.11832	2.6
193.12306	1.8
197.11810	10.8
199.13362	5.5
201.11290	2.6
211.13391	18.9
217.14824	1.1
249.15912	1.3
251.11343	3.7
256.56436	1.2
265.21777	1.3
275.19989	2.1
283.06061	4.1
293.21234	17.4
309.88889	1.1
311.02457	1.3
311.05597	7.7
311.16977	12.0
311.22260	100.0
312.17072	1.9
312.22641	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	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01377	1.5
62.81069	0.3
63.92698	0.4
64.64757	0.3
67.80225	0.3
71.08965	0.8
75.47693	0.3
79.95763	1.1
98.95596	0.5
116.53902	0.3
116.76965	0.3
119.05047	0.8
120.08171	0.4
133.06580	2.3
149.09723	100.0
150.10074	4.3
170.00462	0.5
183.01215	38.4
184.01965	6.8
197.02791	1.9
216.00986	2.4
217.01231	0.4
225.05829	0.5
239.07474	0.6
251.11475	0.4
311.16879	87.1
311.20245	54.8
312.17184	6.3
312.20563	4.7
322.51627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
68.09799	0.8
69.61027	2.0
69.61437	3.1
71.01374	3.8
72.99284	1.5
73.02938	2.8
74.80473	0.8
75.00872	4.1
85.02946	1.2
87.00871	17.9
89.02431	6.0
96.95986	1.5
99.00884	4.5
100.65408	0.9
101.02420	3.0
105.01931	21.2
110.03336	0.9
119.05020	70.1
120.05348	2.0
131.03528	1.0
135.04517	6.3
139.07681	1.8
147.03009	6.3
149.00890	1.3
149.04546	22.2
163.04005	59.4
164.04318	2.6
165.04033	100.0
166.04376	1.8
179.03461	4.3
180.41942	0.8
227.24808	1.0
251.11253	0.9
267.12155	0.8
311.08093	1.4
311.11258	2.4
311.14713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
53.89486	0.9
59.01376	12.6
70.92212	0.9
71.01377	1.6
71.51364	1.7
98.95578	0.8
117.03436	1.1
121.02926	1.4
122.03814	1.0
161.02480	1.0
163.04115	1.4
167.14397	2.2
173.16132	0.9
179.03423	0.9
207.17468	1.0
223.20680	1.7
249.18541	5.5
251.11322	1.6
267.19635	100.0
268.19968	8.2
275.16565	8.4
279.35815	0.9
283.06039	5.4
293.17575	34.0
294.17990	2.7
311.05630	9.3
311.18845	34.4
311.22244	7.2
311.29358	1.7
312.06100	1.7
312.18933	2.3
312.22409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.74902	0.4
59.01395	3.8
67.23926	0.5
69.65032	2.9
71.01378	3.5
71.02226	0.5
79.67813	0.4
85.02969	1.0
87.00889	1.3
89.02450	1.1
93.03471	1.5
96.96044	0.7
98.19874	0.6
99.00896	2.9
99.02735	2.9
100.19577	0.5
101.02374	3.5
105.01937	0.9
107.64465	0.5
109.02966	9.0
111.00917	2.8
112.98803	0.8
113.02468	0.6
119.05035	66.1
120.05375	1.8
121.02988	0.9
123.04547	0.9
135.04543	6.1
143.01735	1.0
145.01326	1.3
147.02997	5.4
147.04243	0.7
147.04443	0.6
149.00883	1.3
149.02403	1.1
149.04514	0.7
149.06090	2.4
159.04512	0.9
162.03233	0.8
163.04021	100.0
164.04344	4.0
165.04071	3.6
165.05460	0.9
175.03989	1.4
177.05565	8.3
179.00124	1.6
179.03540	2.1
189.05496	0.5
191.03535	0.5
219.02969	0.7
219.06642	1.5
221.04543	20.2
222.04893	0.9
252.09050	0.6
263.45474	0.4
267.08899	0.7
267.11731	0.7
311.08167	5.3
311.11304	1.2
312.07486	0.5
314.79010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.041
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
55.39748	0.8
59.01377	8.9
71.19498	1.4
72.99309	11.4
87.00880	20.6
103.00385	5.9
107.05045	1.3
125.10618	0.8
130.99844	2.0
134.03754	5.7
135.04532	57.7
149.00925	100.0
149.50272	0.8
150.01207	1.0
150.14349	0.7
179.03506	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	311.0557
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
55.01892	0.1
59.01376	1.1
61.02702	0.1
65.00323	1.2
65.03968	0.1
68.99819	0.3
69.03465	0.1
72.70796	0.1
75.02397	0.2
77.03967	6.9
78.04325	0.1
79.01891	4.8
81.03463	0.3
83.01389	0.4
87.02423	0.1
89.03962	0.1
91.01915	0.1
91.05543	0.3
93.03456	4.6
94.03816	0.1
95.01407	0.1
95.05063	0.4
97.02936	0.7
103.01884	0.2
105.03461	1.6
107.01383	0.9
107.05046	0.1
108.02187	0.2
109.02970	0.2
115.00370	0.4
117.03464	20.2
118.03783	0.7
119.05023	2.6
120.05369	0.1
121.02955	5.6
123.00899	0.2
123.04510	0.3
125.02429	0.8
130.04309	0.2
131.01373	0.4
131.05038	0.3
133.02963	0.4
134.03749	0.1
135.00891	0.3
135.04521	5.0
136.01620	0.2
136.04845	0.2
137.02444	0.6
143.04941	0.2
145.02950	0.9
146.03720	0.2
147.00891	0.3
147.04514	0.5
148.01659	0.7
149.02435	2.5
151.00339	0.1
155.05014	0.3
155.22916	0.1
157.06618	0.1
158.03687	0.4
159.04512	4.1
160.04855	0.2
161.02435	5.7
162.03148	0.3
163.00359	0.6
163.04004	5.4
164.01149	0.2
164.04309	0.2
165.00548	0.1
165.01912	2.2
167.05020	0.3
168.05820	0.1
169.06590	0.7
169.28729	0.1
171.04463	0.4
171.08131	0.2
172.05261	0.2
173.02386	0.4
173.06071	0.8
175.00401	0.5
175.02498	0.5
176.01070	0.1
178.33182	0.1
180.05782	0.2
181.06540	0.3
181.49268	0.1
182.03729	1.1
182.07230	0.2
183.04494	1.3
183.08099	0.9
184.05052	0.1
185.02444	0.3
185.06073	0.3
187.03984	0.1
189.01917	0.4
190.02708	0.3
191.03491	1.7
191.05182	0.2
193.01414	0.9
193.06563	0.3
194.07343	0.3
195.04454	0.7
195.08144	0.6
196.05276	1.1
197.06052	2.0
199.03975	0.3
200.04726	0.1
201.05583	0.2
203.03485	0.5
209.06067	0.7
210.06860	0.4
211.04082	0.2
211.07649	1.8
213.05569	0.5
215.07138	0.9
217.01405	0.2
221.06107	0.2
223.04005	0.2
224.04778	1.3
225.05516	0.8
227.03423	0.3
227.07062	0.3
235.39142	0.1
237.05565	0.8
238.06253	0.4
239.03346	0.3
239.07109	3.3
240.04312	0.5
240.07367	0.2
241.05057	0.6
243.06563	0.5
253.05070	0.9
254.05783	0.3
255.06624	0.5
265.05109	0.3
267.03000	0.4
267.06580	0.4
268.03738	3.9
268.06647	0.2
269.04196	0.3
281.04568	2.5
282.05280	1.9
283.06097	67.0
284.06418	4.5
293.04553	2.0
294.04980	0.2
309.04034	0.8
311.05585	100.0
312.05930	8.6
314.04483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03447	2.1
59.01382	6.3
62.03648	2.0
69.03458	2.6
71.01375	2.4
71.05026	1.9
79.95728	2.7
80.02708	1.8
80.96524	3.5
81.03459	3.0
83.01382	8.1
83.05038	4.4
95.05011	1.6
96.96017	5.2
97.02972	1.9
97.06596	5.9
118.99196	1.5
123.04543	3.2
123.08153	2.9
125.06046	2.4
125.09736	11.1
139.11244	10.7
151.04001	6.2
151.07626	9.8
152.08388	8.7
163.11263	6.4
165.12854	14.1
167.10744	5.5
181.12291	3.4
183.01158	2.1
183.13742	2.6
187.73717	1.6
191.10776	3.2
193.15996	4.9
197.11847	2.3
207.10292	1.9
209.02773	3.5
209.11830	51.8
209.15402	14.7
237.05820	1.8
245.18739	2.0
247.20648	14.4
252.09859	1.8
265.18051	3.3
265.21527	2.9
273.18533	4.5
281.21188	3.3
291.19638	100.0
292.19986	7.1
309.04007	4.3
309.15329	39.3
309.20740	31.0
310.15479	3.2
310.21127	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	309.2072
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
57.03454	1.7
58.00581	1.2
59.01368	3.0
69.03441	1.5
96.96024	2.4
98.20774	1.5
109.06570	1.3
111.07377	1.7
111.08160	31.9
124.71864	0.9
127.07627	4.7
151.03978	1.4
151.07640	3.7
151.11269	1.7
152.08427	3.0
157.32071	1.1
167.10738	1.7
169.12363	8.0
171.10245	1.0
179.10675	1.1
181.12280	2.6
197.11827	100.0
198.12119	4.2
199.13391	4.5
209.15448	4.8
211.13377	12.7
227.12914	2.9
229.29248	1.2
252.10019	1.5
263.20139	8.7
265.18030	3.2
273.18698	1.7
291.19638	20.4
309.03793	0.9
309.17087	8.5
309.20660	33.5
310.21057	1.1
316.10944	0.9
327.13141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
50.06792	0.9
57.03455	1.0
58.00581	1.5
59.01368	4.3
69.03464	1.6
69.95094	3.9
85.12698	0.8
96.96021	3.9
97.06586	1.1
99.00880	5.0
100.33329	1.0
108.75616	0.8
109.06602	1.0
111.07378	2.0
111.08155	37.5
127.07587	2.4
149.09888	0.9
151.04044	6.5
151.07658	10.4
151.11328	1.0
152.08420	10.5
153.12836	2.1
169.12325	6.7
170.12805	0.9
180.07942	1.1
181.12299	3.3
183.13847	1.5
184.07428	1.6
190.09987	1.3
193.08698	1.2
197.11819	100.0
198.12119	3.2
199.13356	3.5
208.11076	1.0
209.15471	18.6
211.13382	11.7
227.12836	3.7
251.16371	1.5
252.09984	3.1
263.20084	5.9
265.18066	7.6
273.18552	2.3
281.04337	0.9
291.16357	1.5
291.19592	18.5
292.20105	1.1
309.04050	1.9
309.17047	29.8
309.20685	37.7
310.17441	2.2
310.21078	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03446	1.8
59.01385	7.7
61.98817	1.8
71.01367	2.4
71.51405	2.1
73.02912	1.7
76.59477	1.4
79.95750	1.7
80.96527	4.5
89.02426	1.8
96.96024	19.5
98.95582	1.8
99.00876	1.7
121.10247	12.7
125.09728	8.4
141.12706	1.7
167.14355	2.8
171.10312	4.3
185.11812	11.7
197.11813	4.5
205.33667	1.6
209.11821	2.4
209.15540	2.3
211.13400	63.7
211.15446	3.2
212.13672	3.4
281.04547	3.0
291.19644	100.0
292.19962	8.4
309.04007	7.9
309.13898	2.1
309.17148	5.6
309.20679	9.0
325.00925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.72843	0.7
55.01860	1.6
57.03449	2.9
58.00593	1.4
59.01381	48.9
60.01685	0.8
64.74124	0.7
69.86317	1.7
69.86732	1.9
71.01383	26.1
72.99295	1.4
73.02942	2.8
75.00882	0.7
79.96680	0.7
81.72464	0.7
83.01396	2.2
83.05040	1.1
85.02958	7.6
87.00858	1.7
89.02454	17.2
95.01389	1.5
97.02948	1.9
99.00935	0.9
99.04520	1.7
101.02448	16.6
101.06074	1.3
111.04534	0.9
113.02446	10.7
119.03507	7.7
129.05585	3.1
131.07135	0.9
143.03539	1.1
147.06644	59.9
148.07008	1.8
161.02423	1.0
161.04601	2.1
174.42953	0.7
189.07692	2.9
266.45172	0.7
267.03708	0.8
275.42352	0.7
309.11917	100.0
310.12292	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	309.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	2.6
59.01383	100.0
70.44708	4.6
71.01006	2.3
71.01386	33.2
72.99322	3.7
73.02947	4.5
74.41970	1.3
81.22590	1.1
83.01403	2.4
83.05042	1.6
85.02946	9.9
87.00912	1.5
88.17825	1.2
89.02448	28.4
95.01393	2.6
101.02448	24.3
111.04523	2.0
113.02446	13.3
119.03521	12.8
129.05600	14.6
143.03531	3.0
147.06671	3.6
161.04585	6.5
161.11760	1.0
175.29494	1.4
237.40889	1.3
249.09804	4.3
267.10892	2.4
309.11914	93.6
310.12280	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01871	1.1
58.00589	2.5
59.01379	89.9
69.32601	7.8
69.32925	0.9
71.01382	39.2
72.99311	2.8
73.02962	1.2
75.00885	4.3
79.49232	0.9
83.01383	1.8
85.02954	8.6
85.06591	1.2
86.16910	0.9
87.00879	2.3
87.95970	0.8
89.02449	46.0
95.01373	2.2
98.19915	2.1
98.65715	1.0
101.02448	25.8
105.26826	0.9
111.04503	1.3
113.01718	1.5
113.02460	16.6
119.03503	18.1
129.05595	9.2
129.75490	1.0
131.03458	1.2
143.03474	2.7
147.06606	2.2
161.04518	2.3
190.98198	0.8
237.06111	2.1
273.89444	1.1
284.87094	0.9
309.11902	100.0
310.12180	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80630	0.3
59.01376	1.9
63.96239	14.5
64.73892	0.3
64.97035	3.7
71.01385	2.5
71.52322	0.4
73.02908	0.3
77.54685	0.3
79.95737	2.8
80.96518	50.7
84.02164	2.4
85.02938	0.4
87.04501	0.4
90.98595	100.0
91.98936	0.6
96.96016	0.6
96.99297	0.6
99.00906	0.6
122.93519	0.3
127.11295	2.0
129.12852	1.1
134.97606	0.7
152.98654	1.2
161.02483	0.5
163.00375	0.4
173.11856	0.6
178.96561	28.7
226.09201	0.4
227.12891	3.5
281.04538	1.0
309.04037	2.0
309.10120	23.4
310.10269	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	309.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.3
69.28696	16.4
71.01379	11.1
87.00881	11.8
88.34067	1.6
97.00978	1.6
111.08162	2.3
115.00372	51.6
117.01929	6.0
139.07651	1.9
151.07649	4.8
155.07132	2.6
163.00340	2.7
165.09193	2.2
175.02480	100.0
200.86253	1.8
211.09677	5.1
213.07617	6.8
253.05148	1.8
273.09766	7.3
281.04584	9.7
309.04074	20.3
309.07379	3.0
334.72943	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	309.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
71.01382	3.8
71.51788	0.4
76.87801	0.3
79.95757	0.4
80.96519	100.0
81.85988	0.3
83.05071	0.2
85.02980	0.3
90.98619	0.6
92.88238	0.2
96.96011	4.1
116.07194	0.4
134.97592	2.0
143.51381	0.3
157.08679	0.7
161.02495	0.5
178.13593	0.3
178.96521	0.9
227.12889	0.3
229.18094	1.2
265.11160	6.9
266.11490	0.4
281.04596	0.6
309.04575	2.3
309.10196	12.7
309.13757	2.6
309.17123	0.5
309.20740	1.0
310.10641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39240	2.2
54.58609	2.0
55.01878	3.1
59.01377	15.5
69.25791	18.7
71.01385	20.0
72.99326	4.0
85.02947	3.6
87.00883	8.5
89.02449	3.6
95.95218	2.9
101.02431	5.9
110.19494	2.2
113.03618	2.4
115.00368	42.8
117.01873	2.2
117.03545	3.2
120.00864	2.3
123.08140	2.3
131.01357	5.2
133.02956	25.9
134.03732	10.4
135.04523	28.3
151.07642	11.9
161.02451	18.1
161.23981	2.0
175.00403	8.1
175.02461	100.0
175.03987	5.1
176.02597	2.3
179.03473	26.7
191.08203	7.3
193.05040	9.5
197.40685	2.5
213.07680	12.0
225.80786	2.3
237.05562	2.8
249.08861	3.0
273.09665	6.1
281.04623	3.3
309.04004	48.7
309.07141	4.8
309.10352	4.8
309.13870	4.0
310.04587	3.8
323.71530	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	309.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72685	1.7
59.01373	5.9
59.02045	1.7
69.81545	3.8
69.81960	7.0
71.01397	13.0
87.00882	13.9
97.06651	2.1
98.20658	1.8
99.00908	2.0
101.02441	1.9
115.00379	52.4
117.01949	2.9
122.87549	1.9
132.38087	1.8
151.07661	13.2
154.34314	1.9
155.07159	2.5
175.02477	100.0
211.09764	4.6
213.07726	9.7
229.55113	1.8
273.09775	6.1
293.43045	1.8
309.03934	4.4
309.07199	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	308.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21737	0.3
51.85699	0.3
59.01389	1.8
61.13108	0.4
62.04562	0.3
68.88940	0.3
69.39124	1.2
69.39551	1.2
71.01388	4.6
72.00900	0.5
74.02468	0.6
80.53963	0.3
82.75416	0.3
88.04041	24.5
114.01966	4.3
115.00380	9.7
128.03548	1.0
132.03029	100.0
133.03322	1.2
134.03749	10.6
135.04536	1.0
143.04645	1.1
146.31906	0.3
149.06055	3.3
150.03249	0.7
151.03644	0.7
151.09717	0.3
160.01691	1.0
161.02415	1.0
162.00298	0.4
162.02802	1.2
173.34831	0.3
175.03996	1.2
179.03156	0.3
192.06721	0.4
193.05040	2.8
202.08493	0.4
210.08868	0.4
246.07861	0.5
254.07896	0.5
264.08786	1.3
266.13260	0.4
272.08777	0.5
290.06662	0.3
308.07794	8.7
308.14047	0.5
309.08215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	6.4
57.03417	0.4
59.01324	0.9
70.99786	0.5
71.01323	1.1
75.00829	0.9
80.96479	0.3
85.02921	1.3
89.02459	0.3
96.95969	0.3
101.02395	0.5
105.03459	0.5
107.05000	0.6
109.02849	0.3
115.00309	0.8
117.03442	0.4
129.00987	0.5
129.01945	9.9
132.02142	0.9
133.02956	25.1
134.03453	0.4
135.03499	0.5
135.04518	10.4
136.04761	0.3
139.04131	0.3
147.02980	2.4
149.06038	0.6
161.02438	100.0
162.02803	3.9
163.03909	0.4
173.02502	0.4
174.01630	0.3
175.00377	0.5
175.02473	0.8
179.03485	11.6
180.03871	0.7
193.05066	0.3
219.03102	0.7
267.03073	0.4
269.35419	0.3
309.06479	11.0
309.09125	0.7
310.06696	0.5
324.26083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.91298	0.3
64.84905	0.3
71.01370	0.4
71.50279	0.5
87.54680	0.2
93.06837	0.3
96.96007	0.9
97.53183	0.3
135.04352	0.3
154.26682	0.3
161.02449	0.7
193.12358	0.3
211.98590	0.3
307.22769	100.0
308.23129	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	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03440	9.8
59.01381	13.3
61.98844	1.9
69.03448	3.9
70.99774	3.5
71.01377	12.2
71.05013	2.2
73.94158	2.1
81.03460	2.2
83.05032	3.0
85.02938	4.0
93.07095	1.9
95.05003	3.6
96.96014	3.0
97.06580	16.9
101.02429	2.5
109.02973	3.1
109.06569	5.7
111.08154	8.6
123.04509	3.1
123.08217	2.3
125.09740	3.1
127.07637	1.9
127.11294	3.1
133.02963	5.8
135.04552	5.6
137.02383	2.1
137.09711	2.2
139.07675	2.0
147.25352	1.9
149.09718	3.1
151.11287	20.1
153.05562	2.0
153.09169	2.9
153.12849	3.8
155.10796	13.6
161.02480	13.9
161.04539	2.1
161.09631	2.0
162.70004	1.8
163.11298	4.9
165.12807	19.5
167.10767	6.1
168.75400	1.9
169.12338	2.9
177.12831	5.1
179.03484	2.8
179.10753	8.0
181.12328	22.3
191.10774	12.7
191.14406	10.8
195.10117	2.8
197.11810	3.7
205.12280	6.1
209.11821	43.3
211.13367	5.6
224.10419	2.7
232.31664	2.2
239.09198	2.8
245.19089	42.6
261.18591	2.3
263.20123	13.1
271.17075	4.0
279.19763	5.1
289.18076	49.2
290.18365	3.6
307.07971	4.5
307.19141	100.0
308.19519	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52748	1.7
57.03451	13.3
59.01380	16.5
59.94341	1.9
61.54237	1.8
69.03441	3.5
71.01376	14.3
71.05008	2.0
71.49198	1.8
72.86699	1.7
77.67851	1.7
79.95730	3.3
80.02684	3.0
81.03437	3.4
83.05017	7.6
85.02937	3.3
87.00866	1.9
93.03471	2.9
95.05025	6.3
96.96024	15.9
97.06586	21.7
106.04269	2.4
109.06564	4.0
111.08138	13.4
118.46902	2.0
121.02960	4.0
121.06535	2.7
123.04528	3.7
123.08161	4.1
125.09712	7.3
127.11269	2.5
133.02936	3.5
135.04489	6.6
135.08167	4.2
137.02487	3.1
137.09625	2.5
139.11212	2.1
149.09697	4.4
151.11276	22.9
153.09148	5.5
153.12788	3.3
155.10786	16.8
157.12282	2.2
161.02448	13.5
161.04483	3.8
161.09808	1.9
162.15974	1.9
163.11253	6.3
165.09091	2.3
165.12852	34.6
166.10059	2.2
167.10765	5.6
169.12325	3.7
171.10240	3.3
177.09093	3.0
177.12866	5.2
179.03474	3.0
179.10762	9.9
181.12363	34.6
183.06757	1.9
185.11816	7.9
191.10809	13.2
191.14404	8.6
195.10300	3.3
197.11919	2.9
201.19568	1.7
205.12335	3.3
209.11829	69.4
210.12102	2.6
211.13362	10.4
213.11223	1.9
217.16017	1.9
224.10533	2.5
225.11238	2.4
229.09142	2.4
235.20573	3.0
239.09213	3.9
245.19107	43.4
246.19435	4.0
261.18518	3.7
263.20081	11.8
271.16983	3.3
279.19553	5.8
289.18088	61.6
290.18509	3.9
307.08127	5.6
307.15863	9.5
307.19122	100.0
308.16379	2.0
308.19476	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.8
59.01378	7.1
67.01865	1.2
67.05512	1.2
68.96428	0.7
69.03442	2.4
70.37811	1.8
70.38202	1.5
71.01379	2.0
73.02959	1.0
79.95737	2.7
80.02665	2.7
81.03464	6.0
83.01383	5.7
83.05020	4.8
85.02950	1.7
93.03431	1.4
95.05034	4.4
96.96020	1.5
97.02970	7.3
97.06592	11.4
101.02436	1.0
106.04236	2.5
107.05026	2.0
108.02175	1.1
109.02917	1.4
109.06580	3.4
110.03767	1.1
111.08093	0.9
117.28731	0.8
118.42265	0.8
119.05048	2.1
119.08669	1.0
121.02950	1.0
121.06578	2.8
123.04516	10.2
123.08143	4.5
125.06071	1.4
125.09731	21.0
135.04492	1.7
135.08148	3.6
136.05392	1.4
137.06075	2.2
137.09724	11.5
141.09180	1.1
141.12839	3.6
142.02650	1.4
149.06068	3.8
149.09731	1.5
151.11293	0.9
160.08948	1.5
161.02457	5.1
161.09770	1.3
162.10501	1.1
163.07622	2.6
163.11299	17.0
164.08350	1.5
165.09196	1.8
165.12852	4.4
167.10759	1.9
171.10286	2.7
177.12807	1.2
179.03508	1.9
179.10719	2.7
181.12334	4.0
185.11839	22.2
186.12242	1.1
191.10802	4.3
191.12700	0.7
191.14400	20.9
192.14731	1.0
193.32832	0.8
207.10280	11.1
209.11835	32.8
210.12099	1.6
211.13400	1.7
217.15915	2.2
225.11317	12.2
226.12083	1.2
227.18115	0.9
237.11252	1.3
245.19095	45.2
246.19438	2.6
247.17023	1.9
251.12904	1.0
261.18457	1.1
263.20148	3.1
265.18057	1.3
271.16974	4.3
289.18088	100.0
290.18414	7.5
307.07974	1.1
307.15976	1.8
307.19138	49.3
308.19186	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.2
57.21075	1.7
59.01386	10.3
69.03423	2.8
71.01389	4.8
71.05022	1.9
73.02962	2.1
81.03465	6.2
83.01389	5.7
83.05016	2.8
85.02959	5.5
89.02467	2.9
95.05044	4.5
96.96012	9.9
97.02943	7.0
97.06580	5.4
101.02438	4.6
106.77714	2.1
109.06590	5.8
118.27780	1.9
119.05014	2.1
121.06599	4.1
123.04514	6.7
123.08143	4.5
125.06029	2.3
125.09728	15.3
133.02972	5.4
135.04535	7.0
135.08157	4.6
137.09691	12.3
139.68990	2.0
141.12871	4.3
161.02449	22.6
161.09686	2.6
163.11308	11.3
165.12823	4.6
179.03458	6.5
179.10780	2.8
181.12395	4.8
185.11838	19.0
190.83200	1.8
191.10725	3.4
191.14430	22.5
205.57733	1.9
207.10269	10.5
209.11880	23.7
217.15842	3.8
225.11279	8.2
227.18076	3.0
245.19096	43.2
246.19472	4.1
263.16660	2.1
271.16974	4.8
289.18100	100.0
290.18494	4.5
307.08289	7.4
307.15857	4.6
307.19141	55.0
308.19217	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	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.43208	0.4
55.01876	0.9
56.40494	0.4
57.03449	0.9
58.00591	1.6
59.01381	42.2
62.08584	0.4
69.62625	2.1
71.01382	20.1
72.99310	1.5
73.02945	2.2
83.01415	2.2
85.02951	5.4
87.00894	2.3
89.02448	19.2
89.47507	0.4
90.02872	0.4
95.01387	1.6
97.02891	0.4
97.06596	0.4
98.20703	0.4
99.00851	0.6
99.08160	21.8
100.08482	0.6
101.02442	15.6
101.03111	0.9
101.57618	0.6
105.91974	0.5
111.00915	0.7
113.02454	7.6
119.03497	6.4
127.07669	3.5
129.09221	2.1
141.09209	1.5
143.03477	0.8
145.08711	67.4
146.09068	2.1
158.83409	0.5
161.02388	0.6
161.04507	0.6
161.71280	0.4
163.32259	0.5
170.58080	0.5
179.05634	1.3
187.09773	1.7
307.13989	100.0
308.14319	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	307.1915
Annotation	Albocycline
Peak:m/z	Relative Intensity
57.51167	1.2
59.01392	6.9
59.06738	1.1
65.06609	1.2
71.01375	3.8
71.05017	5.4
80.96511	2.4
81.03455	2.5
83.05025	3.7
85.02950	2.8
88.68889	1.3
89.24513	1.2
91.45111	1.3
95.05048	2.4
96.96013	16.7
97.06607	1.5
98.03705	1.4
100.34438	1.2
109.06599	15.6
111.04536	9.1
127.07672	3.9
133.02924	3.7
135.04514	5.6
145.06517	1.9
161.02470	13.0
161.04500	1.8
163.11353	1.4
167.10780	2.7
179.03465	3.0
195.13889	2.0
213.41454	1.4
235.13358	2.0
236.20168	1.4
245.19066	5.7
271.17340	1.5
287.16653	3.4
289.18085	100.0
290.18298	7.4
307.08209	4.8
307.15836	9.3
307.19196	13.6
307.71396	1.3
327.04135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02751	0.4
59.96710	0.6
62.27556	0.5
74.98679	0.7
74.99075	6.5
91.02209	2.3
93.00133	1.5
98.19855	1.2
107.21843	0.4
121.24977	0.5
143.05344	0.6
145.78355	0.5
149.00963	2.8
153.08357	0.5
159.08476	6.8
161.02403	1.4
161.06412	1.3
182.33391	0.4
192.98297	0.7
206.99728	1.1
209.01266	3.2
212.06049	0.5
217.07133	0.7
223.02827	50.6
224.02864	4.3
275.06024	0.8
289.07513	1.8
291.09094	100.0
292.09213	10.5
307.08896	0.5
307.12283	3.1
309.10202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08125	0.5
59.01375	2.4
61.01036	1.0
64.62312	0.6
68.99819	3.4
69.01508	3.4
70.84652	1.1
70.85038	1.3
72.99303	3.7
77.81947	0.6
84.92579	0.5
84.99316	5.7
85.01019	3.2
87.00884	5.1
87.02587	2.4
101.00512	2.8
101.84905	0.5
103.00421	0.9
103.02083	2.8
112.98812	71.2
113.00507	23.6
113.99144	1.7
131.01614	0.8
143.04546	0.7
149.00888	1.2
155.01558	1.3
155.61261	0.6
156.99503	6.7
157.03136	1.7
171.01086	0.9
175.00539	58.1
175.04156	2.3
176.00897	0.8
183.01031	5.1
199.00485	0.6
217.01613	7.2
233.01163	1.0
245.01077	10.8
261.00543	4.2
263.99142	1.2
264.78928	0.6
289.00027	1.0
307.01160	100.0
307.04657	6.9
308.01520	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	307.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05543	3.8
70.05927	5.1
72.00907	2.3
72.04544	23.2
75.14083	1.8
87.05653	14.1
88.04043	13.7
91.05533	13.0
97.04067	4.9
99.05649	3.5
100.04042	100.0
109.04060	2.1
114.01969	3.8
115.05138	77.6
115.05952	4.4
133.03084	2.1
134.20685	1.9
134.80707	1.9
144.03023	45.9
147.04512	6.4
161.02400	5.4
164.07143	2.8
174.05569	2.3
176.07173	18.2
201.10327	8.4
202.10542	2.4
219.11328	2.4
220.06210	3.5
235.10858	47.5
245.09308	19.2
261.08832	7.0
263.10376	12.1
307.09137	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34624	0.2
51.26127	0.2
58.54954	0.2
59.01386	0.4
59.96704	0.4
63.10421	0.2
70.18152	0.2
71.01389	0.3
74.99071	6.4
75.13222	0.2
75.96219	0.4
78.89876	0.2
81.76471	0.2
82.25381	0.3
91.02218	2.4
93.00142	1.4
133.02956	0.5
135.04550	0.5
143.05350	0.5
149.00972	2.8
159.08461	6.9
161.02451	1.1
161.04556	0.3
161.06366	2.0
179.03502	0.5
181.62456	0.2
192.98152	0.6
203.92052	0.3
206.99762	1.4
209.01208	2.8
217.07285	0.8
223.02831	51.8
224.02850	3.9
241.03850	0.4
275.05951	0.7
289.07556	2.2
291.09091	100.0
292.09183	10.2
307.08704	0.4
307.12180	2.7
309.10168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10365	0.8
56.98145	1.0
58.02981	1.6
61.98807	0.7
66.20617	0.8
71.01385	12.6
71.53062	1.4
74.02470	4.0
75.65453	1.0
80.96520	1.1
83.58215	0.9
86.02467	1.5
87.05625	1.1
93.55634	0.8
96.96027	1.4
99.05630	2.5
112.70749	0.9
115.00378	11.9
126.84413	0.9
128.03568	7.5
130.26895	0.9
132.08107	0.9
133.02945	2.1
134.08766	2.0
134.09769	33.8
135.04547	1.2
135.10051	0.9
143.04622	9.5
155.11732	1.0
159.27875	0.9
160.00713	2.4
161.02417	4.3
175.10048	1.1
179.04655	3.0
190.12369	100.0
191.12749	4.5
210.08784	2.1
210.31314	0.9
218.15488	3.6
222.54779	0.9
234.10809	1.1
254.07751	1.5
262.14456	11.6
272.08826	3.6
306.04352	1.4
306.07739	4.4
306.13354	7.8
307.08047	1.8
322.85364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.51041	2.9
72.99306	2.4
85.01861	1.5
96.96014	16.8
133.02864	1.7
136.93962	5.5
149.00934	3.9
152.91879	1.6
161.98952	3.1
162.99118	1.9
163.98599	2.9
164.96397	49.8
165.96448	3.7
193.72139	1.4
206.97449	19.6
210.90805	10.5
233.15158	1.7
234.90791	18.7
235.90758	1.7
262.90198	3.8
306.89124	6.3
306.94568	2.1
306.97406	15.3
307.00504	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	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02982	15.4
58.99593	0.9
66.03481	1.8
70.02961	2.4
71.01370	1.7
71.50269	0.9
71.50635	1.0
72.00933	1.8
74.02480	31.4
81.04602	1.4
82.03008	4.0
84.04549	1.3
85.04066	0.9
86.02489	9.2
86.06123	0.9
86.99093	1.4
87.05635	10.7
88.04045	1.5
90.00194	3.6
90.82764	0.9
96.04537	1.3
97.04088	3.7
99.05653	26.1
101.07250	4.1
102.05611	4.5
107.06187	1.7
109.04094	4.8
110.02514	0.9
111.05643	1.8
112.04044	3.7
113.03589	2.4
116.01781	2.4
122.28128	0.8
123.05653	2.6
124.04019	2.0
124.07912	0.8
125.03573	2.4
126.02000	1.0
127.05152	4.9
128.03554	66.7
129.03918	1.9
131.04597	2.1
135.05643	5.8
137.07190	1.3
139.32759	0.8
141.06718	6.9
143.04639	100.0
144.01265	1.1
144.05000	2.1
145.06175	3.3
146.04611	7.5
153.06677	6.3
155.08292	1.7
160.00749	22.2
161.00990	1.1
166.09869	4.4
167.04610	5.7
167.08244	2.2
171.04121	1.0
177.03395	9.5
179.04630	17.3
181.06209	1.9
184.10939	2.1
185.05667	3.6
192.07748	1.2
197.05688	2.6
198.08836	2.1
210.08858	18.6
225.84288	1.0
228.09929	1.2
242.07875	2.9
254.07829	21.2
272.08875	27.7
273.09302	1.3
288.06625	3.8
306.07663	31.9
307.08072	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	305.1507
Annotation	Antibiotic KO 7888B
Peak:m/z	Relative Intensity
58.02968	0.5
59.01374	1.1
67.61369	0.4
70.02982	6.1
71.01380	0.6
71.05036	0.5
74.02438	0.7
77.26477	0.4
85.02977	0.6
99.05662	0.6
101.02444	0.5
104.27879	0.5
110.06104	2.6
114.01970	14.8
114.02728	1.1
119.99416	0.5
127.00330	0.5
128.03531	1.2
134.09761	36.6
135.10107	1.0
143.04614	3.3
155.08270	0.5
160.00670	1.0
161.08496	0.9
175.09995	1.2
181.06104	0.6
190.12370	100.0
191.12650	3.6
194.20049	0.5
210.08858	0.6
254.07805	0.9
272.08896	0.6
281.20505	0.5
305.14789	3.3
305.17981	1.1
306.07614	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	305.1603
Annotation	Creoside II
Peak:m/z	Relative Intensity
52.23436	0.9
55.01865	1.7
55.59047	0.9
57.03445	5.8
58.00581	1.1
58.02988	0.8
59.01377	20.3
67.01871	1.5
68.99828	1.6
69.03445	1.5
69.20290	1.0
69.20638	9.5
70.02987	1.0
71.01382	46.8
72.99307	6.8
73.02952	1.2
74.02487	2.2
75.00871	29.3
80.96493	1.1
83.01382	7.8
85.02457	1.9
85.02947	28.4
86.00102	7.3
86.02461	1.1
87.00878	11.4
89.02440	5.7
95.01377	7.7
98.20628	1.3
99.00887	6.7
100.84731	0.9
101.02444	2.1
103.00392	1.6
112.01667	1.8
112.79636	0.9
113.01711	1.6
113.02441	16.4
114.01985	1.5
115.00333	2.7
117.01931	3.0
127.11306	2.1
128.03502	3.3
129.01901	1.4
129.12846	1.5
130.99902	1.4
133.02924	1.0
134.09750	3.6
143.04596	6.0
160.00714	1.1
171.13924	1.6
173.11832	1.1
175.02396	1.6
179.04654	1.4
180.54729	0.8
190.12372	10.8
199.13402	2.1
210.08875	1.5
243.16048	1.7
245.13924	3.1
272.08893	2.4
287.14914	3.4
297.48260	1.0
305.16040	100.0
306.07648	2.0
306.16345	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76986	4.6
58.02950	4.9
59.01376	100.0
69.49371	35.3
71.01384	73.2
72.99287	11.2
74.02465	6.2
75.00869	9.6
77.81012	5.5
81.03444	12.2
83.01392	10.4
85.02943	7.6
85.19854	4.8
87.00863	18.3
89.02441	76.3
95.04946	4.8
96.95997	6.4
97.06626	4.9
99.00863	17.2
108.02150	27.8
109.06566	9.2
111.08125	10.2
113.02422	6.1
115.00385	88.8
117.01947	82.1
123.08159	25.2
125.02412	4.8
125.06040	7.2
125.09692	5.9
127.07642	22.4
128.03526	16.3
135.03046	8.1
139.07678	12.9
141.09171	9.8
143.04591	26.0
151.07651	75.8
155.07089	15.9
155.65631	5.5
165.09172	23.2
167.07028	5.2
169.08665	7.1
173.08191	62.9
175.02481	52.2
193.08656	24.5
197.19339	5.1
209.39160	5.8
211.09789	33.5
213.05951	6.8
213.07689	73.5
254.07782	7.1
272.08929	7.1
288.06641	5.3
306.07693	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	42.6
59.03296	0.3
71.31326	0.6
84.06518	0.4
101.73495	0.3
116.71046	0.4
168.13948	100.0
169.14276	4.8
212.12921	3.0
304.19199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13667	2.6
54.33651	2.6
55.01873	5.3
56.98037	2.7
57.03440	10.6
59.01384	14.0
60.97525	3.6
62.58562	2.9
68.99827	3.7
70.99619	21.5
71.01382	35.9
71.52382	3.8
72.97545	23.6
72.99323	14.3
73.01198	3.7
73.02945	8.3
74.99104	76.0
75.00878	43.1
75.01755	2.5
79.93436	2.4
80.96470	3.0
82.99623	3.0
83.01393	11.7
85.02963	14.5
86.99102	13.9
87.00887	9.1
88.97072	14.2
89.02437	7.6
99.00877	55.2
100.97036	77.8
101.02459	5.9
102.97942	5.8
102.98602	89.0
108.04559	6.6
109.02962	5.1
110.19498	2.7
111.00889	26.5
112.98815	92.1
113.02454	5.3
113.05943	2.7
113.99117	3.0
114.97810	5.1
114.98602	100.0
115.00352	5.8
117.01930	4.6
119.05017	4.4
121.06598	3.3
124.98827	5.6
128.03542	6.6
128.96536	63.4
129.01965	19.0
133.02914	3.1
134.03629	4.6
135.02014	4.7
135.03006	85.2
135.04543	6.7
136.04041	8.6
137.02451	18.5
139.07719	4.0
142.99872	67.8
143.04610	8.4
144.04575	4.7
145.01442	7.7
152.03546	3.8
166.83459	2.7
169.03308	3.4
172.99457	5.4
173.00916	99.8
174.01274	4.1
175.02481	3.7
187.04326	6.0
188.98663	4.4
199.06438	3.0
206.99704	55.4
217.05016	3.2
245.73177	2.9
272.08978	4.7
305.06912	5.1
305.12128	5.4
306.07462	4.9
311.05627	2.8
327.15082	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44060	0.2
59.01383	2.9
59.94755	0.2
61.84443	0.2
61.98835	100.0
62.74185	0.2
62.98540	0.2
63.21725	0.2
69.96175	0.7
79.27460	0.2
83.78983	0.2
98.20579	0.3
146.93340	0.2
159.01474	0.5
159.97409	0.2
160.01610	0.8
161.01149	0.9
161.98956	21.2
162.99066	1.0
168.13953	0.2
203.02292	0.2
203.98189	0.2
203.99988	4.0
205.00072	0.3
261.99057	0.2
288.48883	0.2
304.00043	12.0
304.02774	0.9
305.00131	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	303.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83553	0.5
57.03448	0.8
59.01385	5.3
61.95634	0.6
71.01371	1.7
74.02471	1.2
77.64157	0.6
80.96509	0.9
85.02956	1.0
87.00882	4.8
97.06630	0.7
99.00899	0.9
103.92021	0.6
109.06593	3.7
111.00899	0.7
112.98811	1.0
115.03838	0.6
123.04572	0.8
125.02469	4.4
127.07657	100.0
128.03539	1.9
128.08041	3.0
131.03709	0.7
138.05556	1.1
139.00349	1.3
140.07158	0.6
141.01929	3.1
141.05618	1.3
143.11945	1.7
146.04654	0.7
149.00920	1.2
153.01942	2.5
161.02449	1.4
171.06630	72.5
172.06902	2.8
173.02420	0.6
175.04066	0.9
175.90373	0.6
187.10883	1.9
215.10349	0.9
217.05144	0.7
231.13655	0.8
280.75555	0.7
285.04187	1.0
302.64136	0.8
303.04834	1.1
303.14001	0.7
303.19644	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.08978	0.4
57.03447	19.6
59.01382	0.7
65.00314	3.1
65.71499	0.5
71.01374	0.7
71.05028	1.1
71.52796	0.7
72.99306	2.1
81.03456	4.7
83.01389	8.1
85.02963	0.6
87.00874	7.1
93.03446	1.5
95.05036	3.4
96.96037	0.7
97.02953	2.9
99.04513	4.3
105.03487	0.9
107.01421	2.7
108.02161	1.2
109.02954	5.8
110.41074	0.5
111.00890	1.3
111.23232	0.5
114.05611	1.8
119.05004	0.9
121.02949	2.2
122.03722	1.2
123.04523	8.6
124.01688	2.5
125.02445	100.0
126.02813	2.2
137.02431	5.8
139.04012	5.6
145.02960	0.9
145.06641	0.6
146.03790	0.8
147.04514	2.8
149.02426	5.8
150.03217	7.8
151.00383	9.9
151.03995	10.0
152.01176	4.6
153.01941	7.9
159.04538	0.7
160.01634	0.6
161.02327	1.1
161.06088	0.9
163.00424	0.8
163.04015	0.7
165.01932	3.6
165.05591	1.7
167.03496	23.6
168.03802	0.8
171.04533	2.0
172.05263	1.0
173.02444	1.0
173.06033	1.0
174.03227	4.2
175.03989	18.9
176.04449	0.5
177.01930	18.2
178.02310	0.7
178.99855	7.9
181.01469	2.3
187.07588	0.7
188.04755	2.4
189.05545	5.9
191.03497	0.9
193.01498	0.7
193.05000	3.2
198.03242	0.9
199.03981	8.4
200.04378	0.7
201.01920	3.0
213.05557	2.0
215.03378	1.0
215.07121	0.7
216.04245	1.5
217.05048	10.5
219.03015	0.7
226.07582	1.0
231.06621	1.2
235.06030	0.5
241.05038	6.9
241.09792	1.3
243.02974	2.2
257.04578	1.7
259.06155	5.0
259.10614	0.6
275.05597	5.5
276.06171	0.6
285.04044	62.0
286.04321	3.6
303.05219	7.8
303.08597	1.5
303.11105	0.9
303.14410	5.7
303.21835	4.3
304.05536	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	303.051
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
55.01879	3.7
57.03436	3.4
59.01384	3.6
69.03467	2.2
71.51583	2.1
74.68901	1.3
81.03461	7.0
83.01392	3.7
87.00874	1.5
91.04932	1.3
93.03445	2.5
95.01406	4.0
97.02959	5.3
99.00890	18.6
109.02930	13.6
111.00883	10.3
112.98807	1.6
113.02435	2.3
121.02933	3.3
123.00900	10.3
123.04514	2.5
125.02454	100.0
126.02785	3.1
127.00361	6.3
133.02934	2.8
135.04561	2.0
137.02448	6.2
138.05562	1.5
139.00368	30.2
139.04002	1.8
140.01178	4.2
140.79739	1.2
141.01952	88.4
142.02254	2.9
145.02951	1.8
147.04472	3.0
149.01111	1.4
149.02417	4.9
151.00398	2.3
152.01173	3.4
153.01942	70.5
154.02193	1.6
158.03717	1.6
159.04440	2.2
161.02440	41.9
162.03091	5.4
163.03990	6.3
165.01898	4.6
167.03525	2.8
171.04492	1.6
171.10298	2.8
173.02417	5.1
174.03191	3.4
175.04005	28.4
176.04349	2.1
177.01889	3.2
178.99826	1.5
180.00645	9.2
181.01399	4.2
189.05540	4.6
199.03920	2.4
201.01909	9.3
203.03511	8.7
213.05501	2.1
215.03387	1.9
215.06985	1.4
217.05026	14.6
231.06651	2.8
233.04573	1.8
235.06136	3.3
241.05011	3.4
257.04526	4.8
259.06094	4.2
275.05762	2.4
284.95959	1.6
285.03958	8.7
290.26331	1.7
303.05042	23.3
303.13885	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
69.16030	0.6
69.16436	1.8
91.04005	0.6
98.20614	0.5
106.96823	0.2
115.23666	0.2
123.00925	0.4
138.03276	0.3
165.12833	3.2
166.13290	0.2
169.12369	1.1
183.13895	100.0
184.14240	4.3
209.11800	2.4
227.12886	4.4
261.73764	0.3
283.37039	0.3
300.99866	2.3
301.16565	10.8
301.21710	0.9
302.16873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52320	0.2
57.79088	0.2
58.00585	0.3
59.01380	0.7
70.54150	0.4
72.99319	1.1
87.00876	4.2
88.24299	0.2
89.02445	0.4
91.04038	0.5
100.73158	0.2
107.01408	0.3
110.51546	0.2
121.02959	0.4
123.00920	0.6
149.02422	0.7
151.00356	0.7
165.12852	3.9
172.70998	0.3
183.13893	100.0
184.14221	4.7
209.11812	2.7
221.19135	0.5
227.12874	5.6
228.13261	0.3
300.99884	1.9
301.03467	1.9
301.07126	0.6
301.12955	2.0
301.16553	9.8
301.20590	1.0
301.22098	1.2
302.16891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
55.92267	0.4
59.54847	0.4
60.97513	0.7
65.87069	0.4
70.82638	0.8
70.82998	0.6
74.99083	0.9
109.57582	0.4
118.96242	1.0
130.47070	0.4
134.99406	5.4
136.97311	1.2
141.07426	0.5
143.05321	2.4
159.08459	0.9
161.06396	5.0
163.45355	0.5
195.95447	0.4
201.04158	0.5
203.05663	2.7
205.03549	0.8
206.22495	0.5
215.05682	0.8
217.07207	77.7
218.07301	5.9
261.06296	0.8
283.12122	0.5
285.13467	34.3
286.13519	2.3
301.16599	100.0
302.16772	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	301.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38221	0.2
59.01389	0.8
60.45278	0.1
67.38550	0.2
69.71162	0.4
69.71569	0.5
73.52751	0.1
84.10052	0.1
89.02472	0.4
91.04020	1.2
97.06586	0.2
111.08170	0.3
136.92110	0.2
165.12848	3.9
166.13185	0.2
183.13889	100.0
184.14224	4.6
184.38902	0.2
209.11836	2.7
227.12878	4.9
271.89139	0.2
300.99951	0.2
301.16544	9.4
302.16824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1294
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
57.03445	1.5
58.00594	1.1
59.01380	3.6
63.02406	0.7
65.00327	1.0
68.99801	0.7
71.05012	1.3
71.52406	0.7
72.99316	27.0
73.02934	1.1
75.00864	0.7
81.03459	4.8
83.01397	1.5
83.05017	0.7
84.02161	0.9
85.02950	0.5
87.00880	100.0
87.45971	0.5
88.01200	0.9
93.03481	1.3
99.04533	2.4
103.00385	2.3
105.01933	4.9
107.01379	1.0
107.05044	0.7
109.02981	1.1
109.33369	0.5
115.04577	0.4
117.03520	0.5
121.02970	2.4
123.00851	2.3
123.04493	0.5
124.50748	0.4
125.02456	7.0
130.99870	5.9
133.10197	0.4
135.04536	0.6
137.02460	1.0
138.03224	0.8
138.49464	0.5
139.04025	1.0
145.02954	1.1
147.04556	0.5
147.11761	0.6
149.00925	1.7
149.02460	1.8
151.00392	3.3
151.03978	0.6
160.04047	1.0
161.04807	1.3
163.04033	0.6
163.11295	1.0
165.12828	2.5
176.03552	0.6
177.05615	0.5
178.99794	1.1
181.12355	4.2
183.04527	0.7
187.04068	1.5
191.03500	0.7
193.03848	0.8
203.03543	0.5
205.05031	0.6
211.04041	0.8
215.03467	0.7
227.03500	1.5
229.01450	0.5
239.12859	1.1
245.04575	0.6
255.03087	1.2
257.09308	0.9
257.13937	3.0
273.04083	6.9
283.10941	1.4
300.99997	3.9
301.03577	17.7
301.12952	41.8
301.20325	1.9
301.21686	1.6
302.03925	1.3
302.13272	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	301.0719
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
59.01374	1.8
63.02398	8.5
65.00009	1.3
65.00326	16.4
65.59451	0.8
69.31570	4.5
69.31976	2.2
80.02683	2.2
83.01383	11.0
85.02921	1.1
96.60635	0.9
107.01390	25.1
108.02188	14.5
108.57126	0.9
123.00909	4.8
123.04528	5.7
125.02438	1.0
133.02985	1.1
134.03737	37.9
136.01649	8.4
138.03209	2.3
145.02948	0.9
149.06088	25.0
150.06546	1.0
151.00371	62.1
152.00829	1.6
164.01175	9.1
165.01895	3.2
169.01454	2.1
169.12302	1.8
175.03906	1.5
177.01964	7.8
183.13870	6.8
194.69769	1.0
196.00110	8.8
199.03897	1.4
201.01886	2.3
217.05177	0.8
227.12959	1.2
229.01285	1.7
244.16840	0.9
245.24187	0.8
285.03946	1.6
286.04541	3.7
286.07858	0.9
299.98862	1.1
301.00009	17.3
301.07150	100.0
301.16281	4.0
301.21582	9.5
302.07541	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	301.0932
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01364	1.2
63.65283	0.4
64.41962	0.4
64.92761	0.3
70.36568	1.2
71.01384	4.6
73.02944	1.2
83.01388	0.6
85.02953	2.0
87.00858	0.6
89.02452	0.7
93.03464	2.1
93.40049	0.4
95.01394	4.5
99.00873	0.6
101.02420	2.2
105.98640	0.4
108.02185	0.9
109.02962	1.7
111.00922	0.7
113.02474	2.8
121.02956	2.8
122.03765	1.0
123.00897	100.0
124.01736	5.6
125.02449	1.2
137.02448	3.8
138.03242	63.1
139.00392	2.2
139.04039	14.1
149.02475	1.9
150.03252	1.1
151.04050	2.3
152.39296	0.4
159.02971	0.4
161.04547	3.3
163.04071	0.9
166.02788	2.2
178.02739	1.5
181.05099	5.6
193.05121	3.0
301.00049	0.6
301.06238	0.7
301.09415	2.5
301.21832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97012	0.3
71.19845	0.3
76.23442	0.2
79.95736	10.9
80.96516	2.7
80.96960	0.2
90.26761	0.1
100.56769	0.2
102.47897	0.2
106.98097	0.5
115.65694	0.2
119.16044	0.1
124.00746	100.0
125.01129	0.5
137.02483	0.2
138.05602	1.5
151.64496	0.2
160.01773	0.1
179.57245	0.2
204.06648	0.2
214.08688	0.3
273.68869	0.2
285.03067	0.7
294.23676	0.1
300.05457	13.0
300.15955	0.6
301.05798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39355	0.3
62.01046	0.4
64.97026	0.4
79.95735	48.8
80.96515	28.8
93.97295	1.6
94.98080	0.5
105.45157	0.4
106.98099	5.7
121.99196	0.7
124.00741	90.6
125.01119	0.5
125.96269	0.5
129.92831	0.3
134.03751	1.3
135.04524	0.5
138.05627	0.4
138.51102	0.3
148.05281	1.0
149.98692	0.9
160.01678	2.1
160.05298	1.1
166.15750	0.4
177.04384	0.4
202.05025	0.4
203.05884	3.3
204.06645	2.8
220.06256	0.5
221.07089	0.4
238.74304	0.4
277.71973	0.3
284.02396	0.7
285.03122	22.3
286.03488	1.3
300.05453	100.0
301.05762	5.0
301.08923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.13853	0.7
58.69712	0.8
65.70687	0.8
70.34172	1.9
81.90269	0.8
82.31277	0.7
129.63689	0.7
131.37888	0.8
135.00906	0.9
143.38101	0.8
185.00697	1.4
210.66663	0.8
214.73836	0.9
225.22304	1.2
251.23837	3.5
253.25365	57.7
254.25703	2.3
281.24835	1.2
299.14972	4.6
299.25916	100.0
300.16028	2.0
300.26233	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.82440	0.3
64.22430	0.3
64.93089	0.3
67.23886	0.3
71.41165	0.5
113.78748	0.3
138.05623	0.6
139.11264	0.5
141.12842	2.5
182.86089	0.3
185.00729	0.6
185.55176	0.3
200.35648	0.3
214.08746	1.4
253.25389	1.7
268.13446	0.8
281.24878	2.1
297.24216	1.3
299.20419	27.5
299.25864	100.0
300.16147	3.9
300.20569	2.7
300.26208	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	299.0771
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
59.01381	6.5
61.12131	0.5
64.27465	0.5
65.03959	0.6
71.01373	5.2
73.02953	1.3
79.95744	2.2
80.96462	0.7
85.02953	2.3
89.02435	4.1
92.99388	0.5
93.03459	68.1
94.03799	2.1
95.01363	0.8
96.95988	0.5
97.36683	0.5
99.81899	0.5
101.02435	2.4
102.72027	0.5
113.02434	1.9
119.03510	1.6
119.05025	1.5
123.03262	3.0
123.04476	0.5
124.00744	21.1
130.64320	0.6
137.02444	100.0
138.02760	2.9
138.05611	28.6
161.04539	0.9
166.84148	0.5
180.06619	0.6
229.37943	0.7
299.07910	1.3
300.05396	3.3
300.10965	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	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.3
59.01380	53.4
62.47461	0.6
65.59692	0.6
69.19312	2.0
69.19731	4.3
72.99296	3.0
82.66074	0.6
84.37681	0.7
84.83949	0.6
84.99308	2.6
85.02955	0.6
87.00880	27.8
96.95981	0.6
97.33731	0.7
98.20667	1.3
102.17203	0.7
103.00373	22.0
112.98814	38.4
121.10239	0.8
130.99864	5.9
132.04556	1.9
138.05595	1.6
149.00920	2.0
149.09715	2.1
167.10774	100.0
168.11093	4.5
214.08684	1.2
244.89629	0.6
271.02457	0.7
284.03384	1.3
287.12415	0.6
299.02432	0.9
299.05621	2.4
299.11267	3.5
299.14523	1.0
299.18582	0.9
300.11465	0.7
300.16122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0769
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
54.29775	1.1
55.01881	1.2
57.03455	1.4
58.00584	3.2
59.01377	69.7
70.63894	3.6
71.01379	34.4
72.99294	3.8
73.02944	1.6
80.25229	1.3
83.01405	3.2
85.02969	6.8
87.00851	1.8
89.02442	39.8
93.03458	23.9
94.18069	1.8
95.01364	3.1
101.02446	17.4
107.04992	1.3
113.02451	17.6
119.03499	16.5
121.02941	3.4
124.00758	3.1
131.71379	1.4
134.06119	2.6
135.04532	1.6
136.01674	8.4
136.05286	1.8
137.02444	100.0
138.02814	3.0
138.05608	19.5
143.03505	1.7
143.87086	1.4
149.02429	2.0
151.04018	7.5
160.84203	1.4
167.60596	1.2
170.41145	1.7
179.03491	42.5
180.03868	1.4
209.04521	5.4
239.05579	17.9
270.17868	1.4
296.48224	1.6
299.07718	69.6
300.01929	1.4
300.07996	3.8
300.11105	2.1
300.15863	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	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
58.26876	0.5
58.33387	0.4
59.01378	1.5
68.83955	0.5
70.93439	1.0
70.93777	0.7
71.01382	1.3
79.95735	0.9
87.00865	0.6
88.24682	0.5
93.03460	98.9
94.03793	2.8
95.01411	0.4
123.04520	1.6
124.00710	2.7
137.02451	100.0
138.02806	3.4
152.01218	0.6
153.89729	0.5
167.03500	5.1
171.90750	0.5
210.40016	0.8
211.06046	0.7
300.05447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
69.11820	1.1
71.51960	2.0
75.00873	3.5
86.00109	3.0
87.00901	2.8
98.02460	2.5
99.81939	1.2
100.00421	10.3
109.03008	1.6
111.00863	1.5
116.05075	10.7
121.02916	1.9
125.01151	1.3
130.06660	4.7
131.03783	2.0
132.04562	9.2
134.03778	2.1
135.04556	1.9
136.04041	1.7
136.07664	1.3
137.02481	3.6
138.05659	3.8
140.05046	1.9
141.04605	3.8
142.06624	13.0
143.06100	1.7
153.05832	3.9
154.06628	10.6
156.04633	2.5
156.08186	7.6
156.09425	1.5
162.03203	1.9
166.06631	5.6
167.06151	77.2
168.03358	1.6
168.04529	6.8
168.06549	3.5
169.07706	15.3
170.06165	9.5
180.04572	3.3
181.05412	2.9
181.07707	7.7
181.12459	1.4
182.06213	1.6
182.08514	1.4
183.05678	4.6
183.09325	1.8
184.07753	4.5
191.06169	1.8
193.07713	49.3
194.06262	1.4
194.08113	1.9
195.05638	39.9
196.06175	2.7
197.05405	2.3
197.07198	18.1
198.05710	2.0
199.08774	1.7
200.07323	1.6
201.06790	4.5
207.05618	2.1
209.07172	9.9
210.05624	11.2
211.08772	10.2
212.07239	4.7
213.04459	10.0
213.06688	100.0
214.07085	4.3
225.06735	3.6
227.08270	11.6
237.03026	1.6
237.06702	37.8
237.14037	1.9
238.06921	1.9
255.07758	41.6
269.08282	1.6
284.03317	2.1
299.02716	2.8
299.06772	50.9
299.10083	7.4
299.15030	6.0
299.18668	2.4
300.06955	4.1
300.16107	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	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.38047	1.1
59.01367	2.0
59.62015	1.0
76.54462	0.9
107.01385	1.7
123.28134	1.0
132.04524	1.0
134.03757	1.2
137.02451	2.1
138.05626	2.0
151.00348	3.9
167.08620	1.4
182.44669	1.0
211.03835	1.1
220.06895	1.0
227.03606	3.0
250.54614	1.0
255.03032	2.5
256.01251	2.1
256.03769	27.2
261.60562	1.1
284.03259	100.0
285.03595	6.7
299.05618	77.7
299.08771	2.3
299.14713	1.7
299.25998	1.5
300.05930	4.0
300.16040	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01370	1.2
60.49887	0.2
71.01364	0.3
83.05024	0.4
88.04043	100.0
89.02434	0.3
89.04364	1.2
103.00430	0.3
111.08150	1.2
165.12846	15.1
166.13165	0.6
167.10767	1.0
176.86423	0.2
181.12221	0.3
191.10764	0.4
209.11856	1.1
227.12860	0.5
229.00002	0.3
236.16469	0.6
269.74792	0.3
280.15714	0.3
283.64465	0.3
296.64511	0.3
298.04553	0.8
298.16599	23.8
299.16632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84269	0.5
59.01380	4.6
61.98837	0.6
65.00319	0.8
69.47424	0.5
71.01377	1.4
71.50684	0.8
72.99278	0.8
79.95740	1.7
80.96490	0.6
81.03476	0.5
85.02968	0.5
87.00344	0.7
87.00874	9.7
88.04034	1.4
89.02429	0.7
91.01894	9.6
92.07784	0.5
93.03465	6.2
95.01405	0.8
96.96007	1.5
99.00921	0.5
100.00436	0.6
101.18112	0.6
103.00376	2.0
108.02182	4.2
108.04593	2.7
108.61618	0.5
109.02952	0.5
111.00872	1.2
112.98807	4.4
113.02482	0.7
123.00890	0.7
123.04528	31.5
124.00754	7.8
124.01614	0.9
124.04838	0.9
130.99855	0.9
132.03061	1.2
137.02458	12.6
138.05583	2.5
151.03932	0.8
151.07632	0.5
152.01138	6.0
152.03563	3.9
153.05576	1.3
163.03999	1.2
165.43236	0.5
167.03494	100.0
168.03790	2.5
181.05069	1.4
183.07875	1.0
211.06067	2.4
213.41039	0.5
240.96632	0.6
255.08737	0.7
271.87924	0.5
284.03317	0.5
299.03815	0.7
299.07742	2.2
299.11530	0.5
300.05362	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	297.186
Annotation	Przewalskin D
Peak:m/z	Relative Intensity
59.01381	9.3
61.98793	0.8
71.01382	3.7
71.51615	1.0
82.43476	0.7
85.02943	1.4
89.02439	4.3
97.76610	0.6
101.02441	2.2
103.80466	0.6
113.02417	1.2
119.03511	1.0
135.04497	0.8
135.06584	1.6
150.89990	0.6
161.04607	1.4
179.05486	0.7
183.01147	4.7
197.02730	5.8
219.63953	0.8
237.09705	0.7
239.10849	0.8
253.12212	1.2
254.13185	3.0
267.13885	13.0
279.59363	0.7
281.15457	13.6
282.16235	63.2
283.16589	4.3
297.03973	4.0
297.11716	2.4
297.15250	17.1
297.18515	100.0
297.24210	4.8
298.15802	1.2
298.18942	7.2
298.42728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98832	0.3
66.92017	0.3
71.01386	0.4
71.31952	0.4
86.38136	0.2
88.04043	100.0
89.03899	0.3
89.04380	1.3
92.62093	0.2
156.41338	0.2
165.09172	0.3
165.12859	1.1
166.09517	0.4
171.45724	0.2
192.17581	1.7
208.17041	0.7
209.11894	0.5
209.15488	0.4
218.15533	0.3
219.13934	0.3
234.15154	0.3
236.16554	17.5
237.16994	0.6
248.53871	0.2
254.17604	5.1
255.17963	0.4
280.15543	13.0
281.15829	0.7
298.16589	28.0
299.05490	0.3
299.16818	1.8
313.68338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45422	0.2
59.01370	1.7
70.96592	0.5
70.96914	0.3
71.01368	0.6
71.64292	0.2
75.47875	0.3
79.95716	1.6
80.96497	0.3
89.02436	1.1
92.38632	0.3
95.59560	0.2
101.02449	0.6
113.02422	0.3
119.05036	1.5
131.86414	0.2
161.04543	0.4
170.00409	1.3
183.01196	55.9
184.01663	1.9
197.02769	3.2
198.03487	1.0
211.04214	0.3
211.21803	0.3
216.01003	0.7
225.05861	0.8
230.02531	0.7
233.19066	0.3
239.07404	0.6
297.15271	100.0
298.15613	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	297.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41862	1.7
69.42278	0.6
77.37423	0.2
79.95723	1.5
89.41589	0.3
119.05018	1.1
156.22057	0.3
170.00456	1.2
183.01215	57.3
184.01958	5.4
197.02782	3.0
198.03537	0.6
211.04378	0.4
213.13287	0.3
216.00989	3.5
225.05824	0.6
230.02629	0.5
233.19162	0.4
239.07555	0.5
241.93245	0.3
243.44366	0.3
267.52283	0.3
297.15302	100.0
298.15656	7.1
305.11441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.8
60.00079	0.6
71.01385	2.7
71.51969	1.1
73.01126	0.7
73.02959	0.8
74.99054	3.7
79.95718	1.4
85.02943	1.2
86.27657	0.6
89.02432	2.1
89.04289	7.3
93.00137	1.7
101.02435	1.9
103.97330	0.7
113.02486	0.7
119.03526	1.1
121.06591	17.2
135.06613	1.0
149.00958	40.1
150.00993	1.5
161.04564	1.4
163.11287	16.0
169.94106	0.7
179.05643	0.7
183.01202	27.6
184.01863	1.6
197.02766	1.4
206.99675	1.5
216.00989	1.5
223.02811	5.3
264.98404	19.5
265.01230	1.1
265.98505	1.6
281.01620	5.2
282.01636	0.7
282.99506	3.1
297.04684	100.0
297.11917	2.1
297.15262	55.4
297.18591	15.3
297.24265	18.5
297.27649	0.5
298.04828	9.5
298.15604	1.6
298.18762	1.0
299.02625	9.7
300.02710	0.8
301.00394	1.3
315.05783	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01878	1.6
57.03442	2.0
58.00590	3.8
59.01381	100.0
60.01717	1.2
61.01807	1.8
71.01384	57.3
71.51384	0.5
72.01732	1.1
72.99315	4.2
73.01797	0.5
73.02947	8.4
73.03347	0.4
75.00874	2.4
78.95908	0.8
79.63624	0.4
79.95767	0.6
80.96513	1.1
81.03461	1.4
83.01389	3.9
85.02951	18.2
87.00872	4.2
87.04539	0.7
88.78014	0.5
89.02448	68.1
90.02811	1.4
91.02889	0.9
95.01393	4.2
95.02557	0.6
97.02973	0.9
99.00873	2.8
99.04521	1.0
101.02446	38.9
102.02784	1.0
103.02888	0.7
103.04021	1.5
106.08228	0.5
113.02451	23.6
114.02802	0.6
115.04031	1.1
117.05562	1.8
119.03505	29.1
120.03903	0.9
121.03972	0.9
125.02425	0.9
128.03529	0.4
131.03514	2.3
133.05066	0.8
135.04544	3.5
135.06639	27.0
136.06970	0.5
143.03497	5.0
149.04590	2.3
150.03145	0.9
158.89319	1.0
159.03009	1.7
159.89406	0.7
161.04555	16.3
161.05902	0.9
164.04631	0.6
165.05553	0.6
166.39003	0.5
179.05624	16.4
180.05907	0.5
188.13168	0.5
193.03606	2.1
202.52458	0.4
220.47580	0.4
237.02835	0.5
237.09825	2.9
253.08580	0.5
265.68332	0.5
297.11874	44.8
298.12189	2.0
308.46637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.4
63.55930	0.7
71.01369	2.4
71.50059	1.2
71.50442	1.1
74.99065	4.0
77.44438	0.9
85.03004	1.2
89.02445	4.0
89.04287	6.7
93.00160	2.1
101.02444	2.7
113.02450	1.5
119.03499	1.6
132.26122	0.7
143.03413	1.0
149.00960	45.4
150.01013	1.5
150.98831	1.0
161.04568	2.0
183.01202	27.9
184.01901	2.3
197.02768	1.4
206.99667	1.5
216.00996	1.4
217.23947	0.8
223.02818	5.6
225.00694	1.4
264.98456	19.0
265.98373	2.0
266.96237	1.0
281.01682	5.4
282.99597	3.1
297.04694	100.0
297.12094	2.1
297.15283	54.5
297.24323	18.3
298.04816	8.4
298.15649	3.0
299.02631	10.3
300.02655	1.1
301.00821	1.4
315.06219	1.1
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	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.37465	0.6
56.85491	0.5
57.03447	1.1
59.01381	3.4
70.73270	1.2
71.01390	0.7
97.06599	0.5
108.48427	0.6
113.09718	2.0
119.04986	0.7
127.67307	0.5
132.30019	0.5
163.03955	0.8
174.53688	0.5
177.12860	0.8
179.14400	1.3
181.12309	0.8
195.13890	23.0
274.94708	0.6
277.21716	19.4
278.21945	1.3
295.22775	100.0
296.23145	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	3.7
59.01380	91.3
69.74650	4.2
71.01385	47.5
71.01782	2.3
72.99309	3.6
85.02952	9.2
89.02448	55.6
95.01402	3.4
101.02446	29.0
113.02459	17.0
115.04005	1.6
119.03513	27.4
131.03506	2.3
133.05092	2.5
161.04564	1.8
163.04028	2.4
163.07613	1.2
171.39493	1.4
179.05603	3.8
180.06754	1.5
195.01074	1.2
295.10345	100.0
296.10706	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03444	2.1
58.00588	2.2
59.01384	90.0
60.01721	0.9
68.01144	0.8
69.79691	0.9
71.01387	41.1
71.50413	1.2
72.99300	1.6
73.02946	3.2
75.00874	13.8
83.01375	3.1
85.02959	11.9
87.00880	2.2
89.02448	48.7
95.01388	3.1
101.02451	27.5
106.78056	0.9
113.02459	16.4
115.04021	6.4
119.03505	23.0
127.61445	0.8
131.03453	1.6
133.05087	4.3
143.03452	1.4
149.04575	1.4
161.04553	2.9
179.05568	1.5
235.08264	1.2
237.06133	7.5
238.94429	0.9
250.88882	0.8
278.68927	0.9
282.21445	0.8
283.45447	0.8
295.10345	100.0
296.10727	5.2
302.47260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.9
62.21265	0.5
69.20163	5.4
72.99318	2.3
84.99334	0.9
87.00884	8.6
93.03471	0.8
103.00370	3.6
106.49875	0.6
112.98815	7.3
119.05031	53.7
120.05378	1.5
149.00920	20.3
163.04012	100.0
164.04420	3.7
168.06386	0.7
174.94116	0.7
199.66759	0.7
265.47116	0.7
295.04593	1.1
298.07022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
61.08492	1.2
67.05713	1.2
69.19887	10.2
69.20285	2.9
70.36142	1.3
72.99316	7.1
81.80243	1.2
87.00876	19.6
88.17774	1.2
98.19865	2.9
103.00388	6.0
112.98794	4.1
119.05029	83.6
120.05346	4.5
130.99866	1.4
131.58897	1.3
149.00916	98.3
163.04012	100.0
164.04321	4.2
202.52574	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	294.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.6
61.98833	100.0
71.01405	1.0
71.22115	0.7
79.95741	22.1
80.96526	0.5
85.02969	0.4
95.95238	58.6
96.96017	20.0
119.05056	2.0
141.94504	0.9
149.00917	0.7
151.00760	0.8
163.04054	3.1
168.48959	0.5
181.83093	0.5
184.19252	0.4
197.23125	0.5
214.69997	0.4
231.06984	3.8
247.06531	1.9
252.06929	1.0
294.06635	6.4
295.06845	0.5
295.10168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11188	0.2
51.81498	0.1
58.88357	0.1
59.01365	0.6
61.98848	0.2
71.01377	0.2
71.52581	0.2
79.95736	4.4
89.02478	0.2
90.99981	0.2
95.95230	100.0
96.95998	1.5
102.58291	0.1
108.36238	0.1
115.56004	0.1
119.05024	0.9
125.98549	0.2
149.00975	0.2
160.68787	0.1
163.04051	1.0
188.31168	0.1
205.05370	0.5
220.07886	0.1
233.04866	0.2
247.06407	1.3
252.06676	1.5
294.06506	5.5
295.06671	0.3
295.09705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
59.01379	5.4
64.06844	0.5
68.97035	0.4
69.64116	1.7
69.64532	1.5
71.00949	0.5
72.99315	1.3
84.99298	0.7
87.00887	6.5
100.27490	0.5
103.00407	3.4
112.98824	7.6
119.05037	41.7
120.05379	1.2
130.66333	0.6
148.77928	0.5
149.00926	7.5
163.04022	100.0
164.04388	2.8
187.95117	0.6
192.37445	0.6
282.96603	0.5
295.04520	1.0
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(S)-HOTrE
Peak:m/z	Relative Intensity
52.57124	0.7
59.01381	1.0
61.78682	0.7
63.30902	0.7
68.41023	0.7
69.08130	0.7
69.17118	0.7
72.67213	0.9
76.23212	0.8
82.41903	0.7
98.20718	2.3
111.08156	0.8
149.38217	0.7
179.14348	1.1
195.13885	15.1
196.14648	1.7
205.12320	1.4
221.15288	1.2
223.13408	11.6
224.13895	1.0
228.13707	1.6
229.88068	0.8
231.21266	0.9
256.13187	5.6
275.20154	8.0
276.20496	0.8
293.21225	100.0
294.21567	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75062	0.5
56.84367	0.4
57.03197	0.5
57.03444	5.8
59.01382	4.1
61.98826	0.6
67.05458	0.4
67.15289	0.5
71.01372	1.5
85.06573	0.7
96.96020	2.3
97.06580	0.9
97.58028	0.4
98.20637	1.4
108.18109	0.5
109.06574	0.9
113.09725	20.4
117.03487	0.8
121.10196	1.0
136.08961	1.2
139.11288	2.2
149.09689	1.0
167.10783	2.2
171.10297	2.4
177.12848	1.0
179.10716	2.2
192.11583	1.0
193.15952	3.0
195.13914	3.8
197.11836	0.5
205.12277	0.7
220.14694	4.8
221.15448	7.9
231.21381	0.6
235.16925	0.6
236.10471	4.9
249.18529	1.4
249.22272	1.9
275.20148	4.3
293.04538	1.6
293.08789	1.7
293.21204	100.0
294.21561	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03442	1.3
58.00591	2.0
59.01378	41.8
64.10384	0.7
67.65360	0.8
70.32560	1.9
71.01378	22.5
72.99342	1.8
73.02955	0.9
83.01378	1.7
85.02950	4.4
85.06580	16.4
87.00879	1.4
89.02444	21.3
89.03011	1.2
95.01381	1.3
101.02438	13.6
113.02461	8.3
113.06084	4.2
115.07656	1.9
119.03510	8.4
127.07648	2.6
131.07137	59.7
132.07507	1.7
143.03525	1.0
159.10196	0.8
161.04567	0.8
164.91042	0.7
173.08151	2.1
174.37106	0.7
179.05647	1.4
245.17009	0.8
293.12399	100.0
294.12799	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14552	0.2
51.25957	0.2
59.01366	0.2
65.96277	0.2
67.01923	0.2
69.45782	1.6
71.01381	7.2
73.02988	0.2
77.32772	0.2
96.95998	0.2
127.07640	0.7
134.38817	0.2
148.05273	1.1
151.07649	0.4
164.08412	1.4
168.81786	0.2
176.08205	0.2
177.09210	5.0
190.10059	0.3
192.11539	6.8
192.13298	0.5
193.12120	0.4
195.14034	0.2
205.12323	7.3
206.12692	0.3
207.13840	1.2
217.08813	0.4
218.09497	1.5
220.14670	48.9
221.15442	100.0
222.15796	5.0
235.13303	1.1
236.10515	67.8
237.10924	3.7
249.57936	0.2
293.08734	0.4
293.17566	7.9
294.17838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21962	0.3
58.02962	0.6
59.01381	1.2
61.98836	0.5
68.84871	0.3
70.18107	0.3
71.01376	1.0
85.70182	0.4
89.03667	0.3
96.96000	0.6
98.19894	0.7
100.96212	0.3
111.79597	0.4
152.44640	0.3
156.13934	100.0
157.14249	3.8
192.11613	0.5
200.12929	5.0
205.12439	0.7
220.14633	3.4
221.15462	8.2
229.70775	0.5
236.10526	6.3
292.19885	2.5
293.04462	0.4
293.08862	0.4
293.17606	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	292.1918
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02979	0.8
58.38443	0.4
59.01375	1.5
68.55839	0.4
69.71097	2.5
71.01385	1.3
90.13090	0.4
96.96008	0.5
100.30349	0.4
106.99745	0.4
113.14967	0.5
116.61948	0.4
154.23836	0.4
156.13937	100.0
157.14296	3.3
192.11580	0.6
196.64125	0.4
200.12894	5.3
220.14705	3.1
221.15453	6.5
236.10513	4.6
251.34877	0.4
292.19559	0.7
293.04626	0.5
293.14365	0.6
293.17728	1.0
293.21262	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	293.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	6.1
59.01376	5.1
60.25586	2.3
67.47578	2.5
69.58883	4.6
69.59283	12.7
71.01383	2.6
72.00950	2.4
82.02980	3.1
85.02940	3.4
89.02397	2.4
92.05068	4.9
96.96029	3.5
109.02952	3.5
110.03291	3.3
110.20880	2.6
114.88106	2.5
116.05086	4.1
118.06647	17.0
128.05064	18.5
131.03777	14.3
131.48599	2.5
144.04556	100.0
145.02841	2.6
145.04889	4.2
146.06137	54.3
147.04657	2.4
172.04034	7.3
190.05110	91.8
190.06847	5.0
191.05482	2.8
207.07872	3.1
222.68665	2.8
247.08257	6.1
249.09027	8.7
293.08084	19.2
307.91910	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	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32093	0.8
56.32586	0.7
59.01378	3.1
71.01408	0.9
71.50896	1.0
85.02953	1.4
93.03453	1.9
96.04552	1.0
101.02449	1.1
102.05610	32.6
109.38770	0.7
113.09710	1.2
117.03472	4.6
119.05035	100.0
120.05357	3.4
128.03545	48.3
129.01950	0.9
131.07185	1.4
132.29295	0.8
145.02965	38.9
146.04599	99.9
147.04665	2.6
148.04387	2.0
159.10307	1.2
160.10614	4.2
162.05627	1.8
163.04024	15.5
172.02542	1.4
172.83263	0.8
176.03537	1.3
190.05414	2.3
202.08728	8.2
204.10289	1.9
218.70712	0.8
220.23711	0.8
230.08232	3.0
248.09236	4.4
267.21902	0.9
274.07220	10.9
292.08270	29.6
292.11444	1.9
293.08713	1.3
293.12262	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	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
71.01380	1.3
73.35910	0.6
81.14106	0.7
82.02975	1.1
84.04584	0.6
85.02969	0.7
85.57123	0.6
89.02441	1.1
93.03465	2.3
96.04507	0.7
98.19843	1.4
102.05618	14.1
109.02950	1.0
115.75235	0.6
116.36354	0.7
117.03474	3.3
119.05027	100.0
120.05367	2.6
128.03543	27.8
129.01944	0.8
145.02965	32.1
146.04594	55.6
147.04514	2.3
162.05696	3.1
163.04016	16.2
164.04373	1.1
172.02538	2.4
175.76253	0.7
188.07066	1.0
189.03780	0.7
202.08772	6.9
204.10306	1.8
230.08153	2.4
248.09268	4.0
263.57944	0.6
274.07233	11.0
292.08279	32.1
293.08572	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	292.1555
Annotation	Sieboldine A
Peak:m/z	Relative Intensity
53.81897	2.5
59.01373	3.8
60.99310	11.3
61.98816	3.0
71.01344	2.4
71.05030	5.7
80.57539	2.3
96.96009	6.6
107.65485	2.3
108.35582	2.3
117.03424	3.0
119.07406	3.8
132.08250	3.5
134.09761	95.6
135.10077	3.7
146.09718	4.0
148.11284	7.7
160.07645	4.5
171.10481	2.6
174.12904	11.3
175.09949	2.6
184.11284	4.2
186.12863	57.7
189.11594	29.9
190.12407	18.7
204.13934	98.3
205.14229	5.8
212.14404	13.6
229.12921	3.4
230.15482	100.0
231.15852	6.0
248.12917	54.2
248.16565	8.7
292.15726	14.1
293.14352	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	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
59.01364	2.1
61.03111	0.5
66.55336	0.5
69.26928	4.1
74.49048	0.5
83.05023	0.8
83.06067	0.5
95.04995	0.9
111.08154	8.7
112.08491	0.6
121.06609	0.7
137.09715	0.7
139.11284	0.8
141.59961	0.5
149.09666	1.1
151.11243	0.8
167.10739	2.0
177.12849	1.7
179.10764	2.0
190.28867	0.6
195.13889	7.2
211.13463	1.5
229.66626	0.5
247.20764	3.3
270.19357	0.6
273.18558	2.3
291.19653	100.0
292.20041	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.79226	0.3
70.73074	0.6
80.96511	0.4
95.05028	0.4
97.06596	0.5
106.04244	0.3
119.04965	0.5
123.08569	0.3
125.06094	0.6
148.08905	1.4
150.10478	0.8
151.11293	0.6
160.29837	0.3
163.11281	1.2
165.12846	21.7
166.13167	1.2
175.11325	0.5
176.12056	0.3
177.12749	0.5
179.14461	0.4
191.14438	0.9
217.16022	0.5
245.19041	0.4
247.20679	11.0
248.20844	0.7
273.18591	6.6
274.18915	0.6
291.19656	100.0
292.20029	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	291.1816
Annotation	B-Octylglucoside
Peak:m/z	Relative Intensity
55.01878	8.9
57.03442	4.7
58.00581	3.6
59.01377	63.9
61.98817	2.6
71.01386	59.2
72.99312	6.9
73.02946	30.1
83.01386	24.0
85.02949	36.6
86.00089	3.3
87.00879	6.7
89.02448	14.8
95.01399	3.4
96.96019	5.2
99.00877	14.3
101.02445	100.0
113.02448	23.3
119.03513	5.1
143.03490	2.7
148.04013	2.5
159.02983	3.4
159.10237	2.3
161.04529	6.4
175.00259	2.6
199.13417	3.4
217.97501	2.5
231.33202	2.3
291.08414	3.5
291.12622	8.2
291.17947	20.6
299.89017	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	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
70.41026	1.4
73.02950	66.2
74.03281	0.9
83.59890	0.4
94.80806	0.5
105.39539	0.4
117.47768	0.4
135.20410	0.5
147.04362	0.4
241.94301	0.5
266.87534	0.5
280.49423	0.5
291.19666	100.0
292.20035	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28181	0.2
59.01385	1.2
61.98819	0.3
71.01399	0.5
71.52306	0.3
72.99309	100.0
73.99648	0.7
75.00879	1.1
84.06965	0.2
87.00883	0.8
96.96017	0.5
105.01937	43.9
106.02235	0.4
121.02916	0.3
127.11250	0.3
130.80380	0.2
133.01408	0.3
146.47676	0.3
161.00922	7.9
162.01215	0.3
163.10590	0.3
163.25633	0.2
247.02470	0.5
291.14633	2.5
291.19666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57644	0.2
58.52852	0.3
59.01377	0.4
60.97502	0.5
61.40719	0.2
61.98837	0.2
71.01366	0.3
71.54939	0.2
74.99072	1.2
75.41209	0.2
85.02919	0.3
87.00882	0.4
93.00137	0.4
102.40752	0.2
108.35155	0.2
121.02936	0.3
145.02985	0.2
147.82477	0.2
149.00952	2.6
161.06349	0.7
177.42235	0.3
192.98151	1.4
194.38770	0.2
206.99704	0.6
209.01265	4.3
210.01216	0.4
217.07205	2.3
225.00700	0.4
229.74326	0.4
247.02449	0.4
275.05963	0.9
289.07520	2.3
290.07642	0.4
291.09094	100.0
291.19608	3.4
292.09198	9.8
309.10229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.9
59.01380	19.0
72.99297	0.8
81.40067	0.5
84.99329	1.9
87.00874	12.5
98.20673	1.4
99.08154	4.4
103.00372	11.7
112.98816	19.3
113.09729	4.7
123.08153	0.6
130.99866	3.6
149.00891	1.6
157.08679	1.0
159.10265	100.0
160.10617	2.3
291.10858	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	291.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82645	0.5
57.03447	2.8
58.00589	0.8
59.01384	16.2
68.54647	0.5
69.32387	4.1
69.97540	0.4
72.99342	0.6
84.99271	0.9
85.06593	0.5
87.00883	12.0
87.01383	1.0
92.98260	0.4
103.00378	8.7
112.98820	18.2
113.09740	17.9
113.10390	0.4
113.10537	0.7
115.11283	1.6
123.08103	0.5
129.69531	0.5
130.99866	3.0
141.09312	0.6
149.00938	1.5
157.08670	1.2
159.10278	100.0
160.10619	3.7
267.95032	0.5
291.10889	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	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70638	0.6
53.97934	0.7
59.01379	17.5
67.05522	0.8
72.99324	0.9
84.99326	1.4
87.00880	10.9
97.02943	0.6
103.00378	7.7
109.02925	0.9
112.98816	14.5
113.06107	4.4
123.04523	0.6
125.02428	0.8
130.99864	2.3
139.07668	2.0
149.00883	1.9
157.08693	100.0
158.09047	4.2
228.94008	0.9
245.08128	0.8
289.06589	1.1
289.09644	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	290.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34793	15.2
70.30365	67.9
72.99307	100.0
98.20021	20.3
103.77122	20.6
105.01938	46.0
120.82984	15.0
155.55098	16.9
246.06058	17.5
280.80246	16.5
290.07516	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	289.083
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
51.69886	1.0
52.05951	0.9
59.01369	5.5
71.01381	12.8
80.89140	1.1
81.03455	1.0
82.42585	0.9
83.01353	1.8
88.04040	100.0
89.02439	2.2
89.04356	0.9
95.04977	1.5
97.02929	3.0
98.19794	2.3
103.19482	0.8
108.70750	1.0
109.02947	9.8
111.00883	2.3
114.01948	2.6
115.00379	19.7
121.02929	1.3
122.03762	1.5
123.04525	8.6
125.02436	6.2
128.05020	1.1
130.06569	2.3
130.93938	0.8
132.03027	61.1
133.02980	1.2
137.02440	4.3
139.03967	1.3
146.06131	5.4
149.02422	1.1
151.03981	3.6
156.04555	9.2
161.06042	1.8
165.01880	1.6
173.07220	12.9
174.05606	14.8
179.03502	2.0
185.05840	0.9
185.58527	0.9
187.03839	1.2
188.04703	1.0
203.07083	3.9
205.04999	2.9
229.71321	0.9
245.08360	4.6
245.09151	4.6
271.07086	1.7
289.08215	34.9
290.08139	1.1
309.04160	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	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38894	0.5
57.03472	1.5
57.76767	0.7
59.01379	56.8
60.01723	0.8
72.99310	1.3
78.22397	0.5
80.02686	0.5
81.03451	1.3
83.01387	1.7
87.00874	7.3
89.80997	0.6
93.03468	0.8
95.05042	2.4
96.83791	0.5
97.02963	3.7
97.06599	4.1
103.00414	1.4
109.02947	14.0
110.03334	0.6
112.98827	2.2
121.02959	1.4
122.03742	1.0
122.56107	0.5
123.04513	8.7
125.02432	8.6
133.37737	0.5
135.04555	1.6
137.02409	4.0
139.04054	1.4
145.02962	0.9
149.00920	5.5
149.02441	1.8
151.04019	4.6
157.08694	100.0
158.09048	3.4
158.40619	0.5
159.04535	1.9
160.05304	0.8
161.02403	0.6
161.06049	2.2
164.01146	1.7
165.01895	1.2
167.03496	1.2
173.06020	0.8
175.04028	1.1
175.07643	0.9
179.03500	2.7
187.04024	2.6
188.04761	1.7
188.30609	0.7
201.05646	0.7
202.06339	0.8
203.07104	5.6
205.05099	3.7
221.08170	2.2
227.07019	0.7
230.39352	0.6
231.74638	0.5
245.08128	10.6
246.08487	0.7
271.05823	0.8
289.07111	26.6
290.07535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.61149	0.7
53.47521	0.7
57.03450	6.3
59.01361	2.0
61.79051	0.8
69.03449	1.4
69.68349	3.8
81.03458	6.0
83.01380	6.0
85.06619	0.9
93.03458	3.7
95.01386	1.7
95.05026	8.7
97.02954	13.7
105.03394	0.7
108.02166	2.6
109.02950	51.6
110.03237	0.7
117.03460	1.1
121.02968	6.3
122.03738	2.6
123.04527	37.4
124.01649	1.1
125.02449	29.4
133.02954	0.9
135.04532	4.3
137.02438	18.3
138.03206	2.2
139.04002	7.6
143.05025	0.9
145.02934	2.0
146.03720	2.7
149.02437	7.5
150.03224	1.9
151.04008	17.8
157.06596	1.4
157.08687	1.9
159.04492	4.8
160.05251	2.6
161.02391	2.1
161.06071	8.5
162.03220	2.8
163.04022	2.6
164.01118	5.9
165.01917	8.4
167.03493	3.1
173.06055	1.9
174.03194	1.7
174.06914	0.8
175.03990	4.2
175.07610	3.8
179.03496	11.4
180.04259	0.7
185.06010	1.8
187.03987	7.9
188.04771	6.4
199.07541	0.8
201.05669	0.9
201.09196	0.8
202.06332	3.8
203.07123	24.8
203.29585	0.7
204.07414	0.9
205.05060	15.1
213.91449	0.7
217.08722	1.0
220.53720	0.7
221.08199	6.5
227.07123	3.7
230.05759	1.4
231.03020	1.0
245.08176	36.2
246.08493	1.7
247.06099	1.7
271.06161	1.4
289.07172	100.0
290.07565	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	289.0716
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
56.40132	0.7
57.03455	4.7
69.03455	1.4
69.41007	3.7
69.41429	2.5
73.97640	0.9
76.38969	0.8
80.02690	0.8
81.03461	4.9
83.01380	5.2
83.26382	0.8
84.02180	0.8
93.03434	4.1
95.01381	1.7
95.05016	5.8
97.02951	11.5
97.52007	0.7
98.19929	1.4
100.22550	0.7
108.02180	2.3
109.02956	41.9
111.04505	1.1
121.02959	5.3
122.03720	2.4
123.04532	29.5
125.02453	25.5
135.04504	3.6
137.02441	14.9
138.03204	1.1
139.04054	4.6
145.02980	2.3
146.03783	1.7
147.04500	1.6
149.02422	4.5
150.03233	2.4
151.03998	13.1
153.67554	0.8
159.04501	5.1
160.05283	2.1
161.02470	1.5
161.06050	6.1
162.03230	3.2
163.03987	1.9
164.01155	4.5
165.01956	6.3
167.03510	2.9
173.06023	1.3
174.03308	0.9
175.04030	2.5
175.07608	3.1
179.03517	9.3
185.05997	1.5
187.03983	6.6
188.04774	4.4
199.07712	0.8
201.05612	1.3
202.06386	1.8
203.07135	16.3
205.05026	11.2
212.04939	1.0
217.08736	0.9
221.08208	5.0
227.07062	3.5
230.05751	1.2
245.08188	33.0
246.08501	1.8
247.06065	1.9
271.06012	0.8
289.07181	100.0
290.07526	5.0
294.02664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01366	0.5
65.03970	0.5
66.14391	0.2
67.01894	0.5
81.03477	1.8
92.05068	1.4
93.03465	1.8
99.92582	1.0
107.03772	0.6
108.02177	0.6
108.04555	6.8
108.08188	0.3
109.02959	7.0
109.03700	0.4
115.92070	0.5
120.54303	0.2
120.98766	0.2
121.02991	0.6
123.04479	0.3
124.01595	0.4
134.02483	38.7
135.03297	9.7
136.04045	42.4
137.02440	2.4
137.04378	1.2
147.04559	0.3
148.04045	0.9
149.04837	0.8
162.01967	0.3
176.03534	6.0
177.04164	0.5
190.05110	0.5
204.06799	0.4
245.08083	0.5
260.16440	0.5
261.14771	0.3
286.26419	0.3
288.16055	100.0
289.07147	0.7
289.16370	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	289.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50770	0.2
56.95855	0.2
57.03447	1.4
59.01369	0.6
65.00324	1.6
67.01891	0.6
68.99818	1.4
71.01369	0.3
71.32533	0.3
81.03462	1.1
83.01387	10.6
85.02943	0.9
86.78574	0.2
89.02487	0.2
91.01923	0.3
95.05016	0.5
96.96008	0.2
97.02947	0.6
107.01386	2.6
109.02956	6.5
111.00900	0.6
112.31973	0.2
121.02951	0.3
123.04544	1.8
125.02460	6.4
132.75746	0.3
137.02448	1.0
139.03986	0.3
145.05110	0.6
149.02396	0.4
151.00369	14.4
151.04015	0.7
152.00725	0.3
153.01936	100.0
154.02252	2.9
159.04535	0.2
161.06094	0.5
163.03923	0.2
164.01172	0.3
165.01933	0.5
167.03514	0.2
175.03996	0.2
179.03506	0.3
187.03999	0.4
188.04857	0.3
191.89723	0.3
197.66960	0.3
203.07097	0.8
205.05028	0.5
211.51007	0.2
221.08214	0.4
241.59500	0.2
245.08212	1.4
271.84940	0.2
274.32541	0.2
278.81491	0.2
289.03949	0.4
289.07166	5.2
289.10669	0.3
290.07654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.57150	0.8
57.03440	0.9
59.01381	100.0
60.01694	0.9
65.00320	1.6
71.01431	0.9
71.20974	1.4
71.21304	1.1
96.96024	1.4
97.96471	0.8
99.04521	2.2
102.62053	0.8
107.01425	1.9
109.02886	0.9
125.02461	4.4
135.04532	13.0
136.04877	0.9
151.00377	11.6
153.09209	0.9
156.65071	0.8
161.02315	1.0
165.12851	1.1
167.07237	0.9
196.64120	0.8
207.13950	3.2
209.11867	8.6
225.14969	7.3
227.12889	53.7
228.13280	2.0
251.12929	1.6
269.13953	13.1
287.05618	2.2
287.15009	87.9
288.15445	4.3
288.18155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.56472	0.4
57.03447	0.4
58.53276	0.3
59.01382	1.0
66.60798	0.3
78.95906	1.4
80.96323	1.1
83.05023	1.2
99.00912	0.4
99.08148	1.5
99.86982	0.4
109.06519	0.5
110.20697	0.4
113.09718	0.6
123.04523	1.6
123.08179	0.6
123.09853	0.4
125.02442	1.2
127.11271	1.0
129.09219	0.6
135.04559	0.9
141.12831	2.0
207.37689	0.4
239.20030	0.5
241.21747	1.4
257.06226	0.6
269.21179	3.1
272.08572	0.5
285.20706	2.1
287.22275	100.0
288.22623	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	287.0563
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
51.32583	2.8
51.69595	2.8
53.76101	2.6
57.03445	10.7
60.97092	3.0
69.10680	3.0
70.27038	11.5
83.01389	16.5
93.03460	8.3
107.05048	6.9
108.02165	4.5
109.02961	45.8
111.00894	4.1
119.05054	6.3
121.02942	32.6
124.01660	10.1
125.02448	82.7
126.02596	2.9
127.04881	3.0
133.02971	6.3
135.04507	13.9
137.02449	90.2
137.80103	3.0
143.05077	4.3
145.06596	6.3
147.04543	11.8
148.05292	5.0
149.02429	39.4
149.38429	2.9
150.03215	13.5
151.00435	3.3
151.03993	22.2
159.04555	20.2
161.02454	24.2
162.03189	5.8
164.01125	10.2
164.49942	3.5
165.01941	24.3
172.05284	9.2
173.06068	26.0
174.03215	9.2
175.03989	59.4
176.04683	9.1
177.01936	8.0
177.04260	3.6
177.05565	15.5
183.04477	4.9
185.05882	3.4
189.05540	12.6
191.07137	7.7
197.06082	5.1
199.04031	11.8
200.04778	4.0
201.05577	44.0
203.03499	21.5
215.07109	10.7
217.05051	16.6
219.06633	22.5
225.05598	10.3
227.03520	4.1
241.05046	7.3
243.02950	8.2
243.06685	18.4
245.04491	10.2
258.05380	7.9
259.06094	68.4
260.06494	3.6
269.04700	17.4
287.05621	100.0
288.05826	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	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03435	0.2
59.01374	0.2
63.02398	2.3
64.77187	0.2
65.00322	12.7
66.00677	0.2
69.76826	0.9
79.64368	0.2
83.01384	5.8
93.03455	0.3
107.01389	15.9
107.05019	0.6
108.99313	0.3
109.02964	1.9
112.98825	0.2
125.02456	3.9
133.02916	0.2
134.03725	2.1
135.04521	100.0
136.04839	2.3
137.02454	0.4
147.65735	0.2
151.00363	83.0
152.00702	2.5
155.10794	0.7
159.04565	0.4
161.02461	0.8
165.01918	0.5
169.01405	0.6
169.12352	0.3
177.01938	0.6
182.71823	0.2
225.05563	0.2
258.85956	0.2
269.04547	0.6
287.05600	12.0
288.06018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.02116	0.3
57.03449	0.6
59.01387	1.3
63.02408	2.2
65.00330	11.6
70.64239	0.5
70.64578	0.4
80.96500	0.5
81.03487	0.2
83.00913	0.4
83.01392	6.0
107.01400	15.7
107.05015	0.4
108.99274	0.2
109.02950	2.4
125.02454	4.0
125.69551	0.3
134.03777	1.9
135.04536	100.0
136.04858	2.7
137.02438	0.4
151.00377	81.2
152.00731	2.3
159.04526	0.4
161.02428	0.7
163.46017	0.3
165.01935	0.9
169.01445	0.8
177.02032	0.6
177.20789	0.2
227.04099	0.3
227.12959	0.8
260.66452	0.3
269.04575	0.3
287.05667	12.8
287.14844	1.7
288.05963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32583	2.8
51.69595	2.8
53.76101	2.6
57.03445	10.7
60.97092	3.0
69.10680	3.0
70.27038	11.5
83.01389	16.5
93.03460	8.3
107.05048	6.9
108.02165	4.5
109.02961	45.8
111.00894	4.1
119.05054	6.3
121.02942	32.6
124.01660	10.1
125.02448	82.7
126.02596	2.9
127.04881	3.0
133.02971	6.3
135.04507	13.9
137.02449	90.2
137.80103	3.0
143.05077	4.3
145.06596	6.3
147.04543	11.8
148.05292	5.0
149.02429	39.4
149.38429	2.9
150.03215	13.5
151.00435	3.3
151.03993	22.2
159.04555	20.2
161.02454	24.2
162.03189	5.8
164.01125	10.2
164.49942	3.5
165.01941	24.3
172.05284	9.2
173.06068	26.0
174.03215	9.2
175.03989	59.4
176.04683	9.1
177.01936	8.0
177.04260	3.6
177.05565	15.5
183.04477	4.9
185.05882	3.4
189.05540	12.6
191.07137	7.7
197.06082	5.1
199.04031	11.8
200.04778	4.0
201.05577	44.0
203.03499	21.5
215.07109	10.7
217.05051	16.6
219.06633	22.5
225.05598	10.3
227.03520	4.1
241.05046	7.3
243.02950	8.2
243.06685	18.4
245.04491	10.2
258.05380	7.9
259.06094	68.4
260.06494	3.6
269.04700	17.4
287.05621	100.0
288.05826	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	287.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
57.36389	0.2
57.87835	0.2
59.01376	0.3
61.98836	0.2
63.02402	1.9
65.00328	11.1
79.05515	0.2
81.03442	0.2
83.01395	5.6
83.01898	0.3
89.03939	0.2
90.61165	0.1
91.05550	0.2
93.03481	0.3
97.01690	0.3
97.18295	0.2
107.01400	15.5
107.05036	0.6
108.99300	0.3
109.02972	2.0
111.27130	0.2
117.03460	0.2
120.08231	0.2
124.07687	1.6
125.02460	4.1
133.02971	0.2
134.03763	2.2
135.04535	100.0
136.04861	3.1
137.02473	0.2
151.00378	82.0
152.00700	2.1
159.04549	0.5
161.02455	0.8
165.01953	0.7
169.01421	1.1
173.42085	0.2
177.01950	0.6
201.05664	0.3
203.03421	0.2
225.05582	0.4
230.61656	0.2
243.06654	0.2
243.15038	0.2
269.04562	0.6
287.05630	11.8
287.14099	1.7
287.18655	0.2
288.05978	0.6
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
52.99675	0.3
70.02960	0.6
73.42598	0.3
74.06106	2.3
77.87428	0.3
98.20632	1.1
102.53014	0.4
118.05073	0.9
123.73400	0.4
168.89063	0.4
172.83688	0.3
177.73022	0.4
240.23335	3.1
242.21091	1.8
242.24916	0.6
268.22842	0.9
284.22324	0.4
286.04413	0.5
286.23868	100.0
287.16577	0.4
287.24216	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	286.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
64.97036	0.3
71.01381	0.2
72.99306	0.2
74.02464	0.4
79.95734	13.0
80.96513	2.3
87.00899	0.3
93.07082	0.3
98.02477	0.2
99.07099	0.2
106.98102	1.1
109.02975	0.2
111.39056	0.1
124.00740	100.0
125.01116	0.4
125.02449	0.4
130.08772	0.3
135.04498	0.8
137.30074	0.1
138.01976	0.2
141.10410	0.2
149.00923	0.2
161.02440	0.3
269.11392	0.3
286.03918	9.6
287.04279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0403
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02388	1.4
65.00323	3.4
66.48913	0.2
69.50086	1.3
77.03986	0.3
77.93893	0.3
80.13810	0.2
83.01389	2.1
92.31948	0.2
101.08622	0.2
105.03431	0.7
107.00724	0.4
107.01395	4.9
108.99254	0.3
110.72800	0.2
121.02936	1.2
129.03334	0.3
131.05011	0.3
132.02193	0.5
133.02953	28.7
134.03282	0.8
136.25662	0.3
143.05009	0.4
145.02921	0.3
146.03729	0.2
146.50381	0.2
147.04485	0.4
149.02423	3.8
151.00359	8.9
151.01578	0.6
152.00684	0.3
155.05006	0.4
161.06085	0.2
161.91202	0.2
169.06509	0.4
171.04491	1.0
175.04010	5.5
185.06056	0.7
187.04037	0.5
189.05556	0.9
197.06059	0.5
198.03178	0.8
199.03998	4.8
200.04337	0.3
201.01917	1.7
211.03961	0.3
212.04706	0.4
213.05576	0.8
215.03552	1.0
217.05006	2.2
223.04048	0.3
229.05095	0.6
232.65356	0.3
240.04108	0.4
241.04993	2.0
243.02904	1.1
257.04486	1.6
267.02884	0.4
285.04028	100.0
286.04401	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.07591	0.7
52.80614	0.6
57.03445	1.2
59.01371	1.7
65.64594	0.6
69.39269	0.6
70.10347	1.1
70.10753	2.1
78.95892	1.6
85.02984	0.7
95.71097	0.6
123.04497	1.3
139.77341	0.6
151.00339	1.1
155.33026	0.6
197.00729	0.6
223.20662	63.5
224.20981	4.0
224.33417	0.6
241.21739	1.8
267.19659	36.4
268.20004	2.0
285.04126	11.8
285.20706	100.0
285.27148	2.0
286.04321	1.3
286.21075	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1453
Annotation	tropisetron
Peak:m/z	Relative Intensity
59.01378	8.2
71.01374	3.3
71.46270	1.6
71.52325	1.8
72.00910	11.4
74.02460	6.7
77.03969	1.9
85.02960	2.3
92.05065	4.8
93.03445	2.2
96.95975	1.8
101.02467	3.1
116.05069	89.8
117.03471	5.2
117.05408	2.5
129.05840	4.0
135.04492	2.1
142.06627	13.1
153.05881	1.7
154.06683	3.7
154.08745	58.3
156.06950	3.1
161.04721	5.0
163.04085	1.6
166.06590	3.4
167.06146	4.1
168.10374	1.8
169.07724	69.2
170.08157	2.6
180.08206	3.5
196.11296	27.9
210.12878	3.8
213.06696	21.3
221.11928	1.7
222.12830	5.9
237.14055	2.1
239.13188	3.3
239.15544	49.9
240.15785	2.7
266.11844	1.7
283.06149	43.1
283.14517	100.0
283.19330	4.1
283.26425	88.2
284.06461	4.7
284.14786	6.5
284.26682	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
55.78497	0.4
59.01357	0.7
69.55347	0.4
70.44642	1.4
79.61069	0.5
88.29956	0.4
90.56817	0.4
94.49748	0.5
98.19748	0.4
106.04263	0.4
107.05030	99.9
108.05372	1.8
123.04532	0.5
150.75648	0.4
163.11284	100.0
164.11571	3.0
258.48767	0.4
269.42572	0.6
283.17029	86.5
283.22937	2.6
283.26364	28.4
284.17392	5.4
284.26874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.99408	0.6
59.01371	0.8
70.25553	1.4
95.09541	0.6
99.54457	0.5
151.83966	0.6
169.91139	0.7
263.87595	0.6
277.52118	0.6
279.23276	100.0
280.23624	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.8
66.09664	0.5
71.01387	6.9
71.42741	0.6
71.43072	0.7
72.99311	12.6
73.02952	0.8
75.00870	3.7
79.98209	0.5
85.02958	2.1
86.02714	0.4
87.00877	25.7
89.02456	3.1
95.01387	0.6
99.00874	0.7
101.02450	4.4
103.00372	5.2
103.92010	0.5
105.01954	1.4
112.98802	0.7
113.02436	3.2
115.00360	2.5
119.03513	5.0
124.89115	0.9
128.03546	0.9
129.01984	0.6
130.99858	2.3
133.01431	4.9
149.00917	100.0
150.01285	1.7
161.04559	0.6
165.04053	2.6
171.41942	0.5
183.12514	0.6
196.28230	0.5
237.06104	1.3
281.05249	1.9
281.08755	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	283.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01785	1.5
55.62499	1.5
58.00584	2.4
58.99608	2.4
59.01108	2.6
59.01386	41.4
65.28127	1.5
66.03493	4.9
67.06661	1.4
71.01373	9.8
71.50723	2.7
72.99316	9.5
74.12971	1.6
79.95736	2.8
80.96511	1.7
82.50714	1.6
83.01432	1.8
85.02953	3.7
87.00878	33.4
89.02456	8.9
91.01910	2.8
93.03438	4.7
95.01388	2.6
96.96031	3.3
101.02444	6.7
102.98611	11.7
103.00379	20.6
106.04247	5.5
106.41865	1.6
107.05033	32.9
108.02179	4.5
109.02975	2.1
110.02492	4.9
112.98824	26.6
113.02438	5.1
119.03516	2.7
121.02961	9.7
121.05086	3.8
123.04538	1.7
130.99881	6.2
133.06705	2.1
135.04617	1.7
137.02460	2.5
138.03250	1.7
141.40446	1.5
149.00926	51.9
151.04015	93.7
152.04344	3.2
161.04605	3.7
177.05640	1.6
179.66986	1.6
195.06561	1.6
203.55103	2.0
237.42175	1.7
239.10522	3.2
283.04739	8.6
283.08115	2.7
283.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01387	7.5
59.56160	0.7
62.00313	0.9
67.97829	0.8
69.31779	0.8
71.01381	23.5
71.43768	0.8
71.44135	1.7
72.99310	1.0
73.02946	3.0
73.22701	0.8
75.61782	0.9
78.80781	0.8
80.96540	0.8
85.02936	3.0
87.00879	2.1
88.04028	1.5
89.02431	1.6
93.03454	1.2
96.96015	2.3
101.02451	5.3
113.02442	2.6
115.00372	5.8
119.05027	62.8
119.72509	0.8
120.05389	1.4
124.35888	0.9
124.99765	0.9
132.03033	1.3
145.64809	0.9
147.04485	3.2
149.00861	1.4
153.45453	0.8
161.04565	1.7
163.04007	100.0
164.04315	3.7
202.53703	1.1
207.06541	1.2
217.44406	1.1
219.02966	2.5
234.05396	1.0
235.09769	0.9
249.07672	1.3
279.05136	3.0
279.08768	1.6
279.11954	1.5
279.14590	2.4
279.23172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.00334	0.4
59.01379	0.7
60.64774	0.5
70.83208	1.2
72.10427	0.6
115.88104	0.5
124.10427	0.5
160.42146	0.5
233.22696	0.8
259.20468	0.7
275.20041	0.8
277.21713	100.0
278.22055	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	278.0669
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
50.82874	0.4
55.65956	0.4
59.01376	0.7
61.53889	0.4
71.01382	4.7
71.28400	0.8
85.69373	0.4
88.04041	28.0
93.03419	0.9
99.21120	0.5
109.11733	0.4
114.01966	3.9
115.00367	10.3
117.03445	1.2
119.05026	11.2
122.58053	0.4
132.03027	100.0
133.03378	1.1
135.04546	0.6
145.02914	2.4
162.05592	1.0
163.04005	3.2
176.03998	0.7
178.89619	0.4
188.07283	0.6
190.08699	0.6
234.07712	1.2
246.25618	0.6
262.39322	0.5
278.06625	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.60887	0.2
58.41590	0.2
59.01381	3.0
62.27418	0.2
68.09061	0.2
71.01364	0.5
71.20059	0.2
71.20403	0.3
71.67462	0.2
123.62464	0.2
127.07639	0.3
130.98639	0.2
140.68015	0.2
180.57047	0.2
193.54564	0.2
205.15891	0.5
233.18863	0.3
233.22777	0.5
259.20618	0.5
275.20081	0.5
277.21701	100.0
278.18820	0.3
278.22028	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	0.3
59.01381	4.9
60.29478	0.2
62.03137	0.2
64.57191	0.2
66.08434	0.2
69.03381	0.2
71.01375	0.9
71.43307	0.3
71.43648	0.3
79.37167	0.2
79.95721	0.7
83.05022	0.3
97.06568	0.3
103.77134	0.3
115.03952	0.2
121.02959	0.5
127.07635	0.4
135.04480	0.2
187.85057	0.2
189.87318	0.2
205.15977	1.3
233.19066	0.5
233.22829	0.5
259.20740	0.3
275.19928	0.6
277.18250	8.8
277.21686	100.0
278.18115	1.2
278.22028	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01140	0.4
59.01463	2.9
60.97567	0.6
62.80785	0.3
71.01439	0.4
72.56892	0.3
87.02793	0.4
88.91859	0.3
103.02206	1.5
104.36449	0.3
105.29735	0.4
121.03279	4.4
146.99500	0.9
147.08469	4.6
149.01051	0.4
163.02744	0.4
165.00441	14.1
166.00414	0.3
180.99957	0.8
189.04034	1.7
191.05649	12.4
192.05847	1.0
205.07138	1.8
205.15991	0.9
207.05127	0.6
217.07129	0.6
231.08699	1.7
233.10327	100.0
234.10506	7.6
245.74217	0.3
259.15469	0.9
277.16522	83.0
277.21588	7.5
278.16693	7.5
278.21832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25224	0.4
57.03444	0.4
58.02986	0.7
59.01383	13.7
61.85536	0.4
70.58688	0.4
70.63841	1.2
71.01381	1.8
72.99316	1.3
73.02944	0.6
74.02490	0.6
78.95917	0.6
80.96517	0.7
83.05032	0.8
84.99307	1.1
85.02983	1.0
85.06596	7.3
85.11525	0.4
87.00878	9.8
92.05090	0.7
96.96944	0.5
97.06605	0.4
99.08163	13.0
101.02421	0.7
101.09718	1.1
103.00381	9.4
107.05053	1.5
111.04578	0.4
112.98821	15.2
113.02457	0.6
114.05627	2.3
115.04051	0.9
116.07150	0.4
127.07658	0.5
128.03535	2.2
129.05615	0.7
130.99870	2.2
132.89398	0.5
143.07158	0.9
145.08714	100.0
146.09029	2.2
148.04054	1.2
149.00966	2.0
161.04672	0.7
171.07800	0.6
171.09190	0.5
224.67975	0.4
233.09424	0.6
277.03513	0.6
277.09222	6.1
277.12109	2.1
277.21744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0929
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
55.01865	8.3
56.40248	2.1
56.49136	1.9
57.03447	6.0
58.02977	5.9
59.01379	43.9
62.14286	2.0
68.26360	2.0
69.65578	12.5
71.01382	100.0
71.01779	4.8
71.05013	6.5
72.99300	3.0
73.02943	39.9
74.34882	2.7
75.00868	2.4
77.19898	2.0
83.01377	13.7
84.04543	6.0
85.02953	47.5
87.00871	3.8
89.02460	12.5
91.94228	1.9
92.05053	14.9
95.01363	8.0
97.02935	3.0
98.19929	4.7
99.00880	14.7
101.02444	59.0
109.09977	2.2
110.02441	2.4
113.01713	3.5
113.02448	43.9
113.03587	4.2
115.04018	49.5
115.45645	2.3
116.04189	2.1
119.03455	2.3
120.04565	3.9
125.02460	2.0
127.05076	3.2
128.03545	28.0
138.99420	2.0
143.03471	3.8
144.04521	8.8
146.02478	2.5
146.06165	3.5
148.04054	23.6
159.02968	8.0
161.04535	35.4
173.07224	4.1
191.08199	2.0
197.68668	2.3
197.77983	2.3
203.82849	2.3
215.08250	15.2
233.10344	12.8
245.00719	2.1
256.50034	2.6
264.85941	2.3
277.08878	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	275.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09877	0.5
58.00587	1.3
59.01382	33.5
69.33046	4.3
71.01366	0.9
72.99304	2.2
83.01398	1.5
84.99323	2.7
87.00880	24.9
97.02964	0.5
103.00373	19.3
112.98813	34.4
125.02446	1.8
130.99835	3.5
143.10782	100.0
144.11119	2.7
149.00920	1.9
154.99828	0.7
251.96967	0.6
263.28024	0.6
275.03897	0.8
275.08612	1.0
275.11343	7.3
284.50626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	35.6
59.01379	2.8
69.32207	8.2
71.01387	1.5
72.00886	1.2
75.16359	0.9
82.85838	1.2
84.04551	25.2
86.02473	2.9
88.04032	1.2
92.00953	1.0
92.05058	39.1
93.05381	1.1
112.98775	1.2
116.05060	1.1
118.06644	2.5
120.04549	11.7
128.03543	100.0
128.05063	3.7
129.03902	2.2
130.06635	2.4
131.03813	4.6
136.04079	1.1
136.18262	1.0
138.49719	1.0
144.04553	34.1
145.04926	2.1
146.02489	7.6
146.06122	17.4
147.03307	2.3
148.04048	72.5
149.04410	1.6
162.82593	0.9
165.42801	1.0
172.04109	1.3
173.07184	13.3
174.05565	1.9
190.05069	4.4
215.08243	30.6
216.08521	1.4
232.68359	1.0
233.09274	1.6
235.07254	3.5
259.07233	7.1
277.08286	36.5
278.08621	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.0
59.01379	33.1
67.09785	0.5
69.26399	4.8
71.01402	0.5
72.99310	2.5
73.92361	0.4
84.99326	2.2
87.00877	19.0
103.00371	15.5
103.47248	0.4
112.98813	30.6
113.99189	0.6
115.00349	0.8
123.08174	1.0
130.99863	3.3
136.20847	0.5
141.09216	100.0
142.09566	3.0
149.00876	2.5
175.02515	1.1
273.09705	3.1
282.04761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49972	1.3
51.89726	1.4
58.99614	1.9
59.01378	15.2
62.06345	1.6
70.62623	3.2
71.01357	1.7
72.99310	6.4
77.14319	1.4
85.02956	1.4
87.00871	19.2
93.03478	1.8
99.00880	3.8
99.08147	12.8
103.00388	8.8
112.00391	2.0
112.98802	13.4
113.06094	3.3
125.06125	1.8
126.01964	2.0
130.99962	2.1
135.04552	3.5
143.07146	100.0
144.07513	2.8
149.00912	26.3
173.04549	2.4
186.04065	3.3
230.03027	5.7
232.02788	5.6
240.57713	1.5
275.07846	10.9
275.10504	2.1
276.01657	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	273.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98192	2.7
51.40525	2.7
54.64840	3.2
55.48550	2.6
71.50439	6.0
72.04546	2.8
74.00696	2.8
74.02482	6.8
75.61819	2.8
78.95896	10.1
82.02982	9.0
83.01397	4.8
84.00905	9.1
85.01344	3.2
87.00887	3.7
88.04044	100.0
93.77822	2.9
96.04565	21.9
97.02957	4.0
98.02484	12.8
99.00860	6.2
99.05648	3.3
100.03984	3.1
101.07203	40.4
104.42010	2.9
112.04045	12.3
122.02469	7.1
124.04119	2.8
127.05150	6.0
128.03549	9.0
130.11674	2.8
139.05096	3.6
141.01953	4.9
142.30148	2.7
144.05019	3.3
145.06180	15.8
153.06725	4.6
156.03021	6.8
158.04346	2.8
166.01419	10.9
167.08223	12.3
184.02470	6.6
197.05614	4.6
211.07243	32.0
227.06734	42.0
229.08258	7.4
255.06186	30.2
273.07309	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	273.0769
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03451	2.3
59.01377	4.6
61.98825	0.3
63.02390	0.4
65.00327	3.1
67.01898	0.3
68.99821	0.6
71.01386	0.8
71.52663	0.3
71.53059	0.4
72.99319	0.4
74.89050	0.3
79.05580	0.3
81.03456	27.4
82.03808	0.5
83.01386	8.1
87.00874	3.3
93.03458	10.2
95.01395	0.9
95.05033	1.1
99.04535	0.5
103.00379	2.3
107.01389	3.2
108.02171	0.5
111.04503	0.4
112.98801	4.2
115.00393	1.5
117.01903	0.4
119.05028	22.2
120.05371	0.7
121.02895	0.4
123.04527	45.9
124.04879	1.2
125.02444	13.6
135.04527	1.7
137.02460	0.4
141.09218	12.5
145.06601	0.4
147.04453	0.8
149.01140	0.3
149.02432	1.2
151.00349	4.9
151.01538	0.4
151.07637	0.6
166.02762	0.8
167.03490	100.0
168.03839	2.7
169.06583	0.4
171.04463	0.6
175.02455	2.4
179.03503	9.1
185.06154	0.3
187.07663	0.8
189.05547	3.6
211.07643	0.8
229.08678	1.3
255.06648	0.9
273.07660	62.2
274.08014	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
68.99535	0.3
70.40820	0.6
84.27239	0.3
98.20612	0.3
98.63027	0.3
100.35355	0.3
108.02177	0.6
109.02949	0.5
121.36739	0.3
125.02438	0.4
145.08623	0.3
171.40839	0.3
205.87563	0.3
225.22203	4.0
253.21751	1.6
264.89948	0.3
269.21225	1.2
270.77332	0.3
271.22775	100.0
272.23117	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39204	0.4
59.01381	0.6
59.63707	0.4
62.38927	0.5
69.19401	1.6
69.19827	2.9
74.55663	0.5
103.67841	0.5
108.02180	1.8
109.02963	0.8
125.02457	1.0
188.18033	0.5
193.45351	0.4
209.18878	0.7
211.20638	1.5
213.05547	0.5
225.22234	1.6
241.04961	0.5
241.31078	0.5
253.21794	1.6
256.07489	0.7
269.21341	0.8
271.02563	0.7
271.06049	1.0
271.22778	100.0
272.23132	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	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01379	19.0
69.03455	9.1
69.40981	6.1
69.41398	3.9
71.05016	7.2
72.99306	13.3
79.75261	1.3
87.00878	29.7
93.03480	1.8
93.07067	3.2
95.08690	2.8
103.00370	9.1
105.01921	2.1
107.61488	1.5
108.02185	4.6
109.02950	11.0
112.98804	17.0
119.05045	2.6
121.03008	1.3
122.02467	2.0
123.04512	3.5
125.02443	5.9
130.99857	3.0
133.02956	3.5
136.07722	2.4
137.02438	6.3
139.07639	9.6
149.00916	100.0
151.00269	1.8
159.31401	1.3
164.01161	2.7
174.01747	2.1
185.06099	1.6
201.05482	1.4
206.33910	1.7
213.05498	1.8
227.03470	1.8
227.07246	2.7
227.12207	1.4
241.05017	1.7
243.06610	5.3
254.81711	1.5
256.07651	2.1
271.02472	2.7
271.06107	7.9
271.10837	12.9
271.15549	4.4
271.22714	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
58.49978	0.9
59.01381	100.0
71.50707	1.8
71.51078	1.3
81.24000	1.0
87.10739	1.0
87.49002	1.0
107.18649	1.3
108.02171	1.7
109.02935	1.5
147.37427	1.2
185.50331	1.0
201.87817	1.0
225.22195	1.6
271.22787	53.4
272.23160	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01881	0.7
56.20333	0.4
61.65840	0.5
70.06429	1.4
70.06846	1.0
72.99307	1.3
83.05064	0.4
109.02933	0.7
197.19179	1.1
221.19052	0.6
223.20660	4.3
225.22235	66.5
226.22536	3.4
253.21742	1.5
271.02591	0.5
271.22769	100.0
272.23132	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.48539	0.4
57.03444	0.4
59.01364	0.5
63.02399	11.3
64.02734	0.5
65.00324	20.3
68.99822	0.5
69.40656	1.1
69.41082	2.0
76.64304	0.4
79.95727	0.5
81.03461	0.5
83.01387	13.2
93.03463	16.6
107.01394	30.5
108.02238	0.7
109.02943	1.6
112.98826	0.6
119.05029	84.0
120.05353	2.1
121.02943	1.4
125.02437	2.4
133.02925	0.9
135.04559	0.5
137.02438	0.4
139.07657	2.4
143.04964	0.9
145.02963	1.6
146.50865	0.5
149.06020	0.6
151.00369	71.1
152.00714	1.4
155.66927	0.4
161.06120	2.4
165.01947	3.0
169.01425	2.6
174.01683	0.6
177.01926	10.4
185.06152	1.8
187.04024	2.6
199.07616	0.5
199.66125	0.4
225.48021	0.4
227.07210	2.1
229.05150	1.0
271.06113	100.0
272.06461	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02399	8.1
65.00327	24.6
68.99815	1.4
70.42922	1.7
83.01383	14.4
93.03458	10.8
107.01393	33.6
109.02965	0.5
114.41285	0.5
117.03467	1.3
119.05029	81.4
120.05362	2.1
121.02933	1.2
125.02451	2.3
133.02934	1.1
143.05023	3.1
145.02951	3.2
151.00368	100.0
152.00710	2.2
157.06529	1.0
161.06079	2.7
165.01935	4.4
169.01373	0.7
177.01939	7.0
185.06075	4.3
187.04016	8.6
199.07600	0.8
206.32814	0.5
209.06035	0.6
225.54778	0.5
227.07133	4.4
229.04930	0.9
271.06119	87.9
272.06476	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	270.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
72.14533	0.2
79.95734	11.8
80.96521	1.1
106.98112	0.8
109.02975	0.6
119.04979	0.2
124.00743	100.0
125.01064	0.7
137.02515	0.4
138.02821	0.3
155.06192	0.2
167.07680	0.2
209.09767	0.3
242.05838	0.3
270.04410	10.8
270.11084	0.3
271.04874	0.5
271.09836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68078	2.2
79.95734	43.1
80.96517	21.0
94.98105	1.0
98.19990	0.7
100.49044	0.4
106.98089	13.2
108.02202	1.4
109.02932	2.4
119.05016	4.1
121.99149	0.4
122.22684	0.4
124.00744	100.0
125.01102	0.4
130.65276	0.4
139.02061	0.4
147.04477	0.4
149.06020	0.4
159.04482	0.6
161.06108	1.0
162.05647	2.4
170.45245	0.4
188.89409	0.5
206.08162	1.0
241.04933	0.8
242.05896	2.4
269.24628	0.4
270.04401	92.4
270.24789	0.3
271.04681	3.3
271.09750	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	269.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84430	0.3
65.00352	0.3
71.01150	0.5
83.50588	0.4
89.03967	0.4
91.01897	6.2
105.03455	0.4
106.35313	0.3
132.02165	1.6
133.02957	72.8
134.03293	1.9
135.00885	13.1
142.06523	0.3
153.01926	2.9
157.53421	0.3
167.06087	1.9
168.04556	1.0
170.06052	0.8
181.05400	0.5
197.05913	0.5
198.05635	0.9
199.04004	0.6
201.05583	1.5
213.05624	0.4
224.04697	1.7
225.06903	7.5
226.02715	0.6
226.07083	0.4
227.03419	1.6
241.05067	1.4
265.89960	0.3
269.04535	100.0
269.21085	0.7
270.04892	5.5
270.07614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	1.2
59.01376	1.8
63.02391	0.7
64.11024	0.4
66.03483	0.6
71.01393	0.6
73.02947	0.4
80.05070	0.7
85.02920	0.5
96.96032	1.1
98.02459	0.9
98.16826	0.4
101.02473	0.8
107.01389	0.7
109.03006	0.5
114.05609	100.0
115.05970	1.9
115.06677	0.4
117.03462	2.1
126.09250	5.8
141.71056	0.4
149.02444	0.7
151.00298	0.5
154.08746	22.5
155.09167	0.5
155.11893	0.4
157.53221	0.4
159.04449	0.7
166.12526	0.5
183.04543	0.8
197.06044	0.4
207.15128	0.5
225.05644	0.6
225.16072	10.9
227.14055	0.4
269.04547	15.7
269.10559	0.7
269.15048	21.1
269.21237	1.1
269.24927	0.7
270.04895	0.9
270.15500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69021	0.5
55.01882	1.2
57.03443	2.9
58.00594	2.0
59.01381	34.0
62.27716	0.5
68.99834	0.5
69.03463	0.7
69.80640	1.9
69.81062	1.0
71.01382	37.4
72.99318	5.1
73.02950	3.4
75.00874	14.6
76.10693	0.5
78.95907	0.7
79.30243	0.4
79.95733	0.9
80.96516	1.0
83.01378	1.8
85.02953	27.1
87.00879	19.9
87.01280	0.4
89.02446	18.5
90.78875	0.4
91.01455	0.5
91.03979	0.6
93.03459	0.5
95.01385	3.7
96.96010	0.7
98.20576	1.0
99.00872	7.2
101.02450	5.4
103.00389	5.1
105.01946	2.3
111.04543	0.6
112.01643	0.8
112.98823	3.0
113.02453	32.4
115.00364	1.6
117.01939	4.4
119.03494	2.4
127.25001	0.4
129.01949	2.1
131.03534	1.4
135.01155	0.8
135.02959	1.1
135.04529	1.4
135.06679	0.6
149.00911	0.6
149.04565	1.4
157.01460	0.7
161.04630	0.6
175.02449	1.9
191.05624	0.6
205.07156	1.2
206.95416	0.6
207.05099	1.1
208.60583	0.5
249.06189	2.9
253.53592	0.5
267.07202	100.0
268.07462	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	267.0719
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03432	5.1
59.01377	27.9
67.01881	1.4
68.99788	1.1
69.77631	5.4
71.01382	38.6
72.99304	7.2
75.00867	15.8
78.95838	1.6
85.02948	40.1
87.00871	14.0
89.02450	10.6
91.04059	1.5
92.29369	1.1
92.92780	5.5
92.95963	1.2
94.95745	1.4
95.01378	6.4
98.20672	1.1
99.00874	10.8
101.02441	1.4
103.00360	3.7
113.02448	45.6
115.00372	2.7
117.01945	3.6
126.98878	2.3
129.01939	3.0
136.93181	2.2
144.95444	2.2
146.95207	1.4
147.96530	2.7
157.01414	1.3
175.02428	1.8
193.75420	1.2
206.95490	4.7
207.05087	2.0
208.95244	9.1
214.02347	5.8
230.93243	1.4
231.04962	5.3
249.06068	4.7
267.07166	100.0
268.07501	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0664
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
52.46534	0.8
56.69357	0.8
59.01380	5.3
68.99809	3.3
71.01385	3.1
71.51868	0.9
72.99316	2.2
79.95764	1.0
85.02956	2.3
87.00883	3.9
88.92278	0.9
91.05547	6.5
93.03453	4.1
96.96012	1.8
101.02454	1.7
103.00375	1.6
105.01942	4.3
108.02200	1.4
109.02962	12.0
112.98816	3.7
117.03449	1.9
121.02976	4.9
121.15142	0.9
127.05563	1.0
130.04227	1.0
131.05046	0.9
133.02974	3.6
135.04543	11.4
136.01660	1.4
138.05615	1.5
141.07114	2.7
145.02975	4.2
146.03751	1.0
149.00917	10.2
152.06337	2.2
153.07127	1.4
155.04953	1.0
155.08681	5.2
158.03726	2.1
159.04541	5.8
161.02458	1.1
165.07092	2.7
167.05054	7.6
167.08640	6.8
168.05830	2.0
169.06619	8.8
171.04506	1.8
180.05832	14.5
181.06587	5.6
182.03763	2.0
182.07419	1.5
183.04581	5.9
183.08148	17.3
184.05223	1.0
191.05573	1.8
192.05905	1.6
193.06615	16.0
194.07277	2.6
195.04532	17.4
195.08179	14.7
196.05302	24.2
197.06075	14.8
199.04027	1.1
205.06558	0.9
207.04498	1.2
208.05304	11.0
209.06070	18.3
210.03163	1.4
210.06857	10.8
211.04315	1.4
211.07643	55.0
212.04730	1.4
212.07965	2.2
220.05334	3.4
221.06087	35.2
222.06769	9.4
223.04103	12.1
223.07622	18.1
224.04791	33.4
225.05511	9.1
237.05617	10.6
238.06340	18.8
239.07141	71.9
240.04315	1.1
240.07512	3.1
242.05727	0.9
243.06577	2.1
244.06989	1.3
248.04758	2.9
249.05568	17.3
250.06299	12.5
251.03523	1.8
252.04236	7.9
265.05072	4.0
266.05841	13.3
267.06622	100.0
268.06982	7.1
281.64365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	32.4
64.90673	1.7
71.28260	2.3
71.28603	3.0
72.99321	10.8
84.99349	2.7
87.00874	30.8
91.05532	100.0
103.00365	15.8
105.01965	2.4
112.98828	23.3
128.94560	2.1
130.99896	3.2
135.04530	72.1
136.04865	2.5
143.95149	1.8
149.00916	86.0
193.93422	2.0
201.70853	1.9
267.05008	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99302	0.3
70.99643	0.6
71.82840	0.3
79.95719	2.2
93.97419	0.3
95.95232	0.4
96.96013	100.0
101.21750	0.3
105.96853	0.3
154.75034	0.3
163.03879	0.3
265.14771	75.9
266.15158	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	266.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
69.73955	3.7
70.02997	0.6
71.01382	9.9
85.02969	1.1
87.00928	0.7
88.04044	100.0
89.04404	0.8
93.03474	2.4
93.50567	0.6
98.20551	0.9
107.05058	2.8
109.02969	1.6
114.01976	6.4
115.00378	18.4
123.04542	3.4
126.48930	0.7
132.03032	95.8
133.02933	5.0
134.04710	2.0
135.04527	6.6
136.34433	0.7
150.05635	4.5
151.03996	8.4
151.95088	0.6
161.02452	0.6
161.06120	0.6
173.04552	1.6
179.03506	2.3
191.05634	3.8
218.10577	0.8
218.76854	0.7
222.07730	3.6
243.06641	2.4
248.05765	1.1
257.31512	0.7
266.06702	29.8
267.06927	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	267.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27640	0.4
51.45949	0.4
56.53167	0.4
59.01381	4.2
63.03411	0.4
71.01384	1.6
71.51885	0.4
72.99311	0.7
75.00892	0.6
85.02960	1.4
87.00881	9.9
91.05540	7.8
93.03479	0.9
96.96027	0.8
103.00375	2.4
112.98802	4.1
113.02462	1.6
130.99852	0.7
132.97258	0.4
135.04533	100.0
136.04886	3.2
149.00932	1.0
173.04555	0.6
267.04758	0.9
267.07315	2.8
269.05865	0.5
277.09720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1194
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
50.71306	0.9
50.80182	0.8
58.02972	3.5
59.01377	7.8
70.02963	2.7
71.01382	12.9
71.50999	1.3
71.51437	1.1
72.00899	1.9
72.99322	1.2
73.02928	3.5
73.04086	4.6
74.02464	6.3
79.95724	1.1
80.96506	1.8
81.64389	0.9
82.02975	2.3
83.01382	1.6
84.04543	6.7
85.02947	6.2
86.02473	2.7
86.87621	0.9
89.02451	2.9
92.97761	0.9
93.03442	2.4
95.01400	1.1
96.14114	0.9
96.95999	1.6
99.00857	1.8
99.05651	2.1
101.02438	7.7
101.07195	12.5
106.04288	0.9
107.02525	1.8
107.05034	1.5
109.02937	2.7
109.04085	9.0
113.02439	4.7
119.05032	11.5
120.05405	1.0
127.05139	75.2
128.03545	10.7
133.02885	1.1
134.04747	2.5
135.04544	3.2
136.03989	1.4
136.07623	2.0
142.04420	1.0
147.04495	2.0
157.09023	1.2
161.04562	3.5
162.05559	2.0
164.07158	2.3
173.04616	1.6
179.03482	1.9
190.08740	2.2
219.11362	3.6
221.09392	4.6
221.12970	5.7
222.13368	0.9
245.31844	1.1
247.10858	22.8
248.11214	1.2
265.07443	3.7
265.11908	100.0
266.12271	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
58.00585	1.7
59.01378	42.6
59.11521	0.5
69.53557	1.1
69.53960	2.9
70.37198	0.5
71.01378	20.7
72.99304	1.9
73.02943	1.4
78.42856	0.5
80.96541	0.6
85.02950	21.1
87.00883	1.7
89.02443	21.7
90.69770	0.6
95.01389	1.5
98.20639	0.7
99.04531	0.9
101.02438	14.2
103.04012	35.9
113.02453	8.5
117.05584	1.3
119.03500	7.9
123.24829	0.6
131.03464	0.7
131.07109	0.6
143.03552	0.6
145.05048	1.1
161.31367	0.5
166.65958	0.5
179.05641	1.6
184.67957	0.5
265.09271	100.0
266.09521	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
58.00588	1.2
59.01380	43.5
64.65257	0.6
69.26129	2.5
69.26563	2.8
71.01382	20.1
72.99309	1.6
73.02943	1.0
75.00879	0.8
80.96513	1.2
83.01404	1.3
85.02950	21.7
87.00877	2.5
87.97318	0.6
89.02448	21.8
95.01390	1.4
101.02441	14.9
103.04015	38.1
113.02451	7.6
117.05589	1.1
119.03497	10.0
130.90964	0.8
131.03500	0.6
134.04672	0.8
138.78996	0.6
143.03557	0.7
145.05032	1.2
161.04468	0.8
167.64146	0.6
179.05568	1.3
226.47549	0.6
265.09280	100.0
266.09589	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.57880	0.5
59.01371	2.3
62.03167	0.6
65.45373	0.5
68.07794	0.5
71.13532	0.5
71.50237	0.9
94.69645	0.7
96.34689	0.6
170.62152	0.6
219.21149	0.8
245.18988	0.7
263.20151	100.0
264.20468	6.3
271.54190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.7
71.05015	2.7
71.20057	1.8
72.99318	0.9
82.54778	0.8
85.06590	21.1
87.00878	10.7
87.08157	1.1
89.73139	0.7
103.00368	6.8
112.98806	12.5
113.06085	1.6
116.64575	0.7
116.97485	0.8
129.05569	1.3
130.99858	2.3
131.07141	100.0
132.07492	2.1
138.82217	0.7
144.04512	0.8
149.00952	2.3
161.04588	0.8
263.07797	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71783	0.4
59.01377	9.9
69.71723	2.1
69.72148	0.6
71.01385	1.5
72.99303	1.2
73.02938	0.6
73.39324	0.4
74.75408	0.4
75.00468	0.8
75.00875	10.5
80.96523	1.0
82.02996	0.5
83.01373	0.4
84.99310	0.5
85.02952	1.1
85.06600	0.4
85.17879	0.4
87.00879	6.2
96.95985	0.5
98.02450	0.6
98.20013	0.5
101.02435	0.9
103.00379	3.9
105.01936	0.5
106.06403	0.4
112.98820	7.9
113.02435	0.6
126.21244	0.4
130.99915	0.7
131.07143	100.0
132.07478	2.6
165.04021	1.1
234.08975	0.4
263.02194	0.7
263.05588	1.1
263.07846	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.6
57.03444	1.1
59.01376	9.5
71.01385	4.2
71.42301	1.3
72.99313	3.5
73.02940	1.4
75.00877	0.9
76.84400	0.5
81.11639	0.5
85.02946	2.0
85.06586	29.9
87.00882	8.6
87.08158	1.6
89.02448	2.5
95.05042	1.4
99.00924	1.1
101.02426	3.6
103.00381	3.4
112.98806	3.9
113.02446	2.5
113.06089	11.0
115.04025	1.0
119.03467	0.9
125.02496	0.7
129.05589	4.4
130.99860	1.1
131.07137	100.0
132.07501	2.8
140.91418	0.6
149.00908	16.0
161.04605	1.0
260.59262	0.6
263.05295	0.6
263.07785	2.2
263.11411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0719
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
59.01381	2.3
68.75074	1.1
71.01385	16.1
71.51651	1.5
75.39864	1.2
76.58070	1.0
81.80145	1.3
109.01710	6.9
113.12751	1.1
115.00372	38.5
116.04984	1.4
131.05022	9.6
144.85010	1.3
146.06123	100.0
147.04527	21.0
147.06424	2.6
149.64445	1.1
156.08191	7.2
174.09236	5.0
200.07182	11.7
218.08212	60.3
219.08565	1.6
244.06221	5.1
262.07196	67.2
263.07666	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	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
60.72205	0.5
66.06144	0.5
70.02983	9.2
70.04773	1.3
72.04549	3.5
72.46051	0.5
74.02473	100.0
75.02813	0.5
84.04546	1.3
98.02477	24.7
98.20506	0.7
116.03539	51.7
117.03852	0.6
128.03540	6.2
128.95624	0.5
132.04555	31.4
133.04860	0.9
144.04547	6.8
147.23817	0.5
158.06131	0.6
173.07259	0.8
175.08685	1.2
201.06691	11.9
203.60149	0.5
217.09895	1.2
218.93065	0.5
219.07733	3.1
261.08801	22.7
262.09067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45805	0.6
58.00595	1.3
59.01379	35.0
60.01726	0.5
69.25116	5.2
72.99305	2.6
74.02485	0.8
84.99319	2.3
87.00876	23.5
91.76998	0.6
98.20667	0.9
103.00373	18.0
112.53776	0.5
112.98812	33.1
129.09219	100.0
130.09523	2.5
130.99893	3.7
149.00917	2.2
187.09773	0.5
219.23232	0.5
261.09760	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
50.48034	0.5
57.53841	0.5
58.09992	0.6
58.45492	0.7
59.01382	4.0
65.18387	0.6
70.02979	9.2
71.07933	0.6
71.08281	1.0
72.04536	4.0
74.02474	100.0
84.04541	1.2
98.02480	24.6
107.58755	0.7
116.03539	54.3
117.03875	0.7
128.03555	6.3
132.03554	1.6
132.04559	32.6
144.04564	6.2
150.46968	0.7
171.86880	0.6
173.07167	0.6
175.08733	1.9
201.06699	13.5
217.09845	1.0
219.07773	3.3
243.07867	0.8
261.08771	25.4
262.09073	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	259.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.1
59.01381	33.8
63.35649	1.0
71.06361	2.1
72.99321	2.9
76.67879	1.0
84.99306	3.2
87.00877	23.7
103.00385	18.9
112.98818	33.8
127.07658	100.0
128.07990	2.9
130.99889	4.0
149.00906	3.2
151.81601	1.0
259.08170	4.6
259.10873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0233
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
55.25924	0.6
57.40919	0.6
63.62902	0.6
65.36284	0.7
71.01354	0.8
71.07667	1.7
72.00914	9.9
74.02476	8.9
79.95737	24.6
79.96210	1.3
80.96516	2.6
82.02985	1.9
84.04563	0.7
93.03461	19.7
98.02526	0.7
100.04091	1.1
106.04231	3.2
107.05005	2.4
115.05069	0.7
119.05030	58.6
120.05341	1.6
125.38166	0.5
128.03540	4.9
129.05679	0.6
132.06734	0.9
134.06171	0.9
135.04533	6.6
136.07663	2.0
152.07133	0.8
163.04033	10.9
168.94148	0.7
173.04510	0.8
180.06656	61.2
181.06978	2.1
185.99956	4.1
199.00699	36.3
200.00919	0.8
214.05396	0.7
215.00182	17.1
217.98865	0.9
242.06793	0.6
242.99693	2.2
260.02316	100.0
260.07935	2.5
261.02573	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.6
64.90025	0.5
67.81923	0.5
71.25835	0.9
72.62309	0.6
72.99310	1.8
84.99332	1.5
85.06594	4.3
87.00883	16.4
98.10463	0.6
103.00384	12.6
112.98207	0.3
112.98811	22.6
129.05589	100.0
130.05901	1.8
130.99904	3.3
149.00917	2.4
166.86601	0.6
181.07747	1.8
199.08794	1.4
261.06207	8.6
261.08850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55801	1.0
59.01383	1.3
69.90636	5.1
72.00909	9.8
76.58389	1.3
77.63243	1.0
86.02478	55.8
92.05065	52.4
92.05663	2.0
97.94738	1.1
98.19991	1.2
100.04967	1.2
106.21348	1.0
116.05068	54.2
122.87926	1.1
128.46376	1.0
129.05846	3.1
130.06671	1.8
136.04010	1.1
142.06619	22.7
143.06209	1.9
143.11913	1.2
143.38980	1.0
144.08208	7.1
154.06548	5.1
156.06947	5.2
161.04869	1.3
167.06281	1.2
169.07718	11.1
171.09279	62.4
172.09668	2.3
175.03999	1.8
215.08260	100.0
216.08559	4.6
259.07309	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	259.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15317	0.8
53.14364	0.8
58.00600	1.1
58.57002	0.9
59.01383	37.2
72.99323	5.2
80.23724	0.8
82.26221	0.9
82.57323	0.8
84.99323	2.6
85.07627	0.9
87.00883	28.9
103.00379	24.7
112.98818	37.6
127.07661	100.0
128.08015	1.6
130.99875	5.0
149.00931	24.5
150.74623	0.8
259.02924	0.8
259.05826	1.2
259.08289	5.3
259.11835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36538	0.7
55.01883	1.0
60.34166	0.7
63.66154	0.8
66.50708	0.8
69.03461	1.2
70.44437	2.8
71.01369	1.1
71.05008	1.0
72.04543	2.8
74.02462	1.4
74.46957	0.8
78.95894	4.3
82.02976	10.3
83.01389	1.0
84.04539	2.4
86.06068	1.1
87.05612	0.8
88.04020	1.3
93.64515	0.8
94.02988	8.3
96.04554	16.0
96.96953	2.0
98.02492	3.9
100.03988	1.3
106.79865	0.8
109.06547	1.5
110.06116	1.9
111.04548	1.1
112.04031	3.4
122.06107	1.7
124.03971	0.9
124.07615	1.4
128.03516	1.0
130.05101	4.7
132.12173	0.8
134.06125	1.9
150.05588	2.6
152.07167	100.0
153.07516	2.1
178.05069	3.8
196.06154	11.2
213.05165	1.2
214.07275	1.3
240.02824	1.5
240.05099	15.8
258.06097	14.8
259.02142	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41371	0.7
59.01361	1.1
70.27118	4.1
71.01390	6.8
88.04041	78.5
89.04360	1.0
91.05519	3.8
114.01941	4.8
115.00372	14.3
132.03027	100.0
134.06186	1.2
135.04527	4.6
137.41367	1.0
206.08284	1.8
250.07172	19.3
250.14470	1.8
251.07292	0.9
254.81993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.9
59.31137	0.4
69.50152	1.4
69.50574	2.0
75.05967	0.5
77.03982	0.5
87.00875	6.7
103.00363	1.5
112.98825	3.3
118.01598	0.5
121.02958	100.0
122.03324	2.6
123.82008	0.5
132.87320	0.5
193.07103	0.5
194.85403	0.6
216.44910	0.5
236.80550	0.5
253.03636	1.3
265.34454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75475	1.3
59.01376	1.9
61.98844	1.6
63.40023	1.4
66.42747	1.5
71.01371	2.3
73.02943	1.8
74.10780	1.7
116.07168	1.5
121.06591	1.5
127.07661	6.6
133.10223	1.7
144.04506	1.6
151.11304	1.8
167.06920	2.7
175.23167	1.4
179.10771	2.1
181.12335	27.2
182.12691	1.4
197.11748	1.7
199.07422	3.3
201.08998	6.5
203.10513	13.4
205.08571	2.9
205.12151	4.3
217.08484	5.9
219.10023	10.0
221.11534	5.7
223.13141	87.3
224.13594	3.4
233.07956	8.6
235.09538	21.8
237.11082	54.4
248.97346	2.3
249.11081	100.0
249.15137	4.2
250.11426	4.7
250.14496	13.8
265.10583	8.4
267.12125	92.4
268.12463	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	249.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.1
57.03444	8.1
58.00591	3.1
59.01382	57.1
68.13506	1.0
68.99817	1.6
69.03467	2.8
71.01385	100.0
71.05016	2.2
71.50476	1.6
72.01729	1.1
72.99312	9.9
73.02947	31.0
73.59150	0.9
75.00877	4.7
79.11732	0.9
79.95724	1.9
80.96519	4.8
81.03473	1.4
82.04494	1.0
83.01392	16.6
83.05021	1.9
85.02953	52.7
86.00095	3.8
86.02475	1.3
87.00881	16.4
87.04514	5.3
88.33358	1.0
89.02439	16.3
95.01391	9.2
97.02962	4.5
99.00887	12.6
99.04510	2.1
99.92580	2.6
101.02448	59.5
105.01942	3.4
105.05579	1.2
109.06600	9.6
111.00857	2.6
111.04547	1.5
113.02456	38.3
115.04017	1.3
116.92899	1.0
117.00188	1.3
117.05591	5.0
119.03485	4.1
120.01221	1.2
125.02453	2.6
128.03546	3.8
129.01941	2.2
133.05026	1.2
135.04666	1.0
142.94424	4.0
143.03520	3.0
145.05093	6.7
147.06569	1.2
152.24355	1.1
153.05562	3.1
158.51274	1.0
159.03014	7.7
159.06639	6.7
161.04564	23.7
169.05214	0.9
169.08751	3.8
171.03020	1.5
171.06587	2.1
177.05466	1.1
187.09795	2.8
189.07648	1.9
204.04265	1.5
205.01601	1.4
205.08600	1.2
213.07916	1.1
219.06622	1.5
231.08743	3.6
248.03659	1.1
249.00616	1.8
249.04141	2.6
249.06146	5.6
249.09743	21.0
249.14964	2.1
250.14552	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	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
61.98835	0.2
70.74623	0.1
70.74937	0.3
71.01386	0.2
112.59194	0.1
121.03006	0.2
129.26970	0.2
169.12517	0.2
179.07193	0.2
184.00212	0.5
186.95657	0.2
202.99913	0.2
205.15948	0.2
220.16960	0.4
231.13914	0.4
247.17020	100.0
248.07961	0.4
248.17375	5.7
248.20004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47036	0.4
53.99431	0.3
58.02977	4.6
59.01389	0.4
60.93365	0.4
70.18319	1.5
86.79578	0.3
88.04047	0.9
92.05047	3.0
97.58488	0.5
116.05061	2.8
118.06632	15.5
127.05167	2.9
128.05067	17.1
131.03764	15.2
132.03061	0.8
132.04056	0.4
144.04550	100.0
145.04930	2.8
145.46329	0.4
146.06117	45.7
147.06470	1.1
151.20161	0.4
159.93536	0.4
161.02592	0.4
172.04031	9.3
187.08867	0.4
190.05092	62.8
191.05377	2.5
249.08714	2.1
249.12457	2.9
250.14273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00569	0.8
59.01377	33.7
59.45276	0.6
72.35043	0.6
72.99315	1.6
84.99309	2.3
87.00877	23.7
98.19893	1.3
103.00376	19.4
103.01072	1.0
107.00684	0.7
111.38536	0.8
112.98811	36.8
115.07649	100.0
116.07961	1.3
130.99873	4.4
136.35536	0.5
149.00882	1.5
217.84735	0.6
229.78760	0.7
247.08208	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	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.2
59.01381	25.1
66.46024	0.5
66.52156	0.5
69.70069	1.4
69.70486	1.6
72.99311	2.1
78.44155	0.5
84.99318	1.4
87.00880	17.7
103.00377	13.2
106.85912	0.5
112.98810	22.8
115.07651	100.0
116.07988	1.9
130.99870	2.8
149.00974	2.8
161.02425	0.7
247.02397	0.6
247.06010	1.1
247.08269	6.0
247.10674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18096	0.6
59.01385	29.4
71.51639	1.0
71.51999	0.7
72.99320	2.9
83.63448	0.8
84.99323	1.8
87.00880	19.9
96.64107	0.6
103.00384	17.2
111.47928	0.8
112.98824	30.0
115.07658	100.0
115.76794	0.7
115.77555	0.7
116.07985	1.7
124.54447	0.6
130.99866	4.9
149.00935	3.2
161.39047	0.7
200.13930	0.8
203.03477	0.6
247.08244	7.3
265.18155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69851	0.7
59.01381	31.2
59.34947	0.7
61.98839	1.6
63.92901	0.7
71.01369	1.1
71.52491	1.5
72.99288	0.8
74.02477	0.9
83.01394	0.8
87.00868	2.0
88.12358	0.7
99.08128	0.9
101.02440	1.5
105.01917	1.3
111.08150	1.0
119.05097	0.9
127.07641	2.6
129.09238	2.0
141.12766	1.0
155.07092	3.7
157.08662	0.8
165.12834	4.9
166.05080	4.1
167.10788	0.9
183.13907	32.5
184.14209	1.3
185.08253	2.7
185.11826	100.0
186.12157	3.4
201.01854	1.0
227.12889	10.4
245.04492	1.4
245.08257	3.1
245.13919	60.3
246.14297	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	246.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56117	0.8
59.01377	13.3
62.62100	0.9
69.80255	4.8
72.99306	54.2
78.37232	0.9
87.33521	0.8
87.94908	0.8
88.82079	1.1
89.96355	1.2
90.85484	0.8
90.97138	17.4
98.99349	1.1
102.56934	1.0
102.97134	3.0
102.98856	1.0
104.98631	1.4
105.95852	1.3
114.98868	14.7
116.98662	3.2
118.96629	74.9
128.98648	2.7
130.96629	29.9
130.98303	3.0
132.98196	44.8
132.98932	0.7
132.99231	1.4
133.95302	1.2
142.96623	13.7
142.98441	1.0
144.98154	2.4
146.96117	26.1
148.97673	9.3
153.47762	1.0
156.98170	3.1
156.99872	2.1
157.95309	3.6
158.99728	4.1
160.97682	85.7
161.98033	1.0
165.38922	1.1
168.99812	1.1
170.97806	9.6
172.97681	20.2
172.99173	1.7
184.97694	30.0
184.99338	2.2
186.95688	1.2
188.97173	28.7
188.98727	1.0
190.98735	25.4
200.97107	1.6
202.98737	3.0
204.96638	1.9
228.96594	17.5
246.97678	100.0
247.97986	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	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
54.52147	1.4
58.02709	2.2
58.02974	27.3
58.83811	1.4
69.54391	8.7
69.54796	3.0
70.02987	16.0
72.00900	5.6
72.04543	4.2
74.02476	100.0
74.36750	1.3
82.94528	1.4
95.65414	1.2
96.37076	1.3
98.02479	26.7
115.11254	1.4
116.03555	32.8
116.05067	38.5
122.48366	1.7
130.06627	5.1
140.85567	1.8
142.06625	7.9
142.89116	1.4
154.95082	1.4
159.09268	5.8
173.04579	1.6
183.09172	2.4
186.05629	1.9
200.49312	1.5
201.10371	8.2
203.08264	88.9
204.08559	3.6
204.36960	1.5
245.09306	84.2
246.09613	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
51.62525	0.5
56.68822	0.6
57.03442	1.9
63.17004	0.5
65.05965	0.5
65.91456	0.5
71.05013	1.3
73.02943	0.6
74.02461	0.6
83.05040	1.2
87.00864	0.5
97.06599	1.6
111.08170	3.3
112.09572	0.6
112.63767	0.6
125.09721	1.2
155.14407	2.3
163.11282	0.8
165.12845	20.8
166.13168	0.9
172.54460	0.6
181.12306	0.9
182.12665	0.6
183.13898	20.6
199.13420	0.8
201.14960	11.4
202.15280	0.7
207.10214	0.9
209.11826	17.2
225.11382	1.1
227.12891	52.3
228.13240	1.7
243.12378	1.3
245.13930	100.0
246.14201	4.2
248.00465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0818
Annotation	Torachrysone
Peak:m/z	Relative Intensity
51.98080	0.2
57.03449	2.1
59.01379	0.4
63.17762	0.2
65.00318	0.2
71.51931	0.3
80.02708	0.6
81.03454	5.2
83.05023	0.3
93.03465	1.2
93.42188	0.2
95.01384	0.2
95.05025	4.2
96.05393	0.2
97.02956	1.6
98.49654	0.2
108.02179	0.8
109.02956	8.0
115.05520	0.2
117.07085	0.2
119.05024	0.4
119.85838	0.2
121.02953	2.8
122.03745	1.0
123.04527	5.9
124.01685	0.2
129.07124	0.2
131.05057	0.7
133.02953	0.6
133.06602	0.5
135.04536	1.4
139.04018	1.4
142.08699	0.2
143.04991	0.9
145.02908	0.9
146.03732	3.0
147.04529	2.6
149.02451	2.0
149.06119	0.3
150.03175	0.5
157.02927	0.3
157.06616	2.0
158.03783	1.2
159.04514	10.7
159.08139	0.4
160.05316	3.1
161.02420	1.3
161.06079	12.1
162.03239	2.5
162.06424	0.5
163.03970	0.5
171.04498	0.4
172.05251	0.5
173.02490	1.1
173.06053	4.1
174.03226	2.8
174.06863	1.0
175.04001	7.1
175.07623	8.2
176.04477	0.3
176.08008	0.3
181.06641	0.2
183.04541	0.8
184.05356	1.0
185.06070	2.7
186.06741	0.4
187.04010	14.4
188.04788	13.4
189.05316	0.6
199.07623	3.2
200.04834	0.3
201.01964	0.9
201.05559	2.6
201.09218	0.3
202.06352	5.9
203.03500	1.2
203.07133	33.5
204.07417	1.3
209.06049	0.3
211.03902	0.5
212.04807	3.0
217.05164	1.2
217.08669	1.3
227.03709	0.3
227.07143	6.9
228.07361	0.3
229.05124	0.3
230.05807	2.6
245.08168	100.0
246.08516	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	245.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15844	2.1
57.27863	2.2
59.01377	51.4
70.79739	6.4
71.81471	2.2
72.99300	15.9
84.99347	2.7
87.00880	50.8
103.00379	31.9
112.98814	42.3
113.06093	90.6
113.99069	2.3
130.99872	5.4
149.00925	100.0
245.06584	5.3
267.93945	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	245.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.3
59.01384	47.8
68.09607	1.3
71.51418	2.3
72.99325	9.7
84.99302	1.5
87.00340	2.0
87.00880	41.5
93.03484	2.2
102.99726	1.8
103.00381	24.7
112.98817	43.1
113.06095	100.0
130.99863	5.6
149.00926	64.0
173.04568	2.3
181.02438	1.5
186.73383	1.3
199.24484	1.3
203.07036	1.3
245.04430	2.7
245.06590	5.2
245.08485	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	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01377	1.3
60.28696	0.5
61.98837	1.7
69.80011	1.2
69.80416	2.0
71.01388	0.6
71.05019	1.9
80.37396	0.5
82.02965	0.8
83.05014	1.0
97.02952	3.1
97.06628	1.1
99.00883	13.5
109.06593	1.0
110.02497	1.4
110.03752	0.7
125.09719	4.2
142.02756	1.4
149.43567	0.6
155.14436	1.8
163.11305	6.1
181.10826	1.2
181.12349	17.0
197.11868	0.9
199.13393	20.3
200.13594	0.8
207.10260	29.5
225.11324	63.8
226.11673	2.7
242.21606	0.5
243.12373	100.0
244.12682	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.69842	0.7
52.86884	0.7
55.89193	0.9
56.63806	0.8
59.01376	0.9
60.35189	0.7
69.17071	5.0
69.17501	3.4
71.01375	1.3
71.05032	5.1
75.27579	0.8
75.73246	0.8
78.84246	0.8
83.05033	1.7
97.02948	7.5
97.06583	2.4
99.00883	26.2
100.01240	1.0
109.06599	2.6
110.03742	2.6
123.08166	1.0
125.09715	9.3
127.11298	0.8
130.83667	1.0
135.08153	1.1
136.05305	1.3
142.02713	2.3
153.12817	1.0
155.14423	1.9
163.11273	11.6
179.10739	0.9
181.12332	30.1
182.12711	1.1
197.11794	2.0
199.13393	23.2
199.15306	1.1
200.13715	1.3
207.10257	52.6
208.10643	1.7
225.11319	97.2
226.11745	4.4
243.03011	1.5
243.12367	100.0
244.12741	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.7
59.01384	57.9
71.35059	1.6
72.54830	1.5
72.99307	9.7
79.38109	1.5
84.99298	3.7
87.00883	47.0
103.00378	28.8
105.01936	2.2
108.68442	1.3
112.98822	45.2
112.99625	2.4
113.06097	100.0
114.06452	1.7
129.90775	1.6
130.99864	4.7
149.00923	54.8
245.06648	5.5
245.10439	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	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
50.38309	0.5
57.03451	2.9
59.01359	2.5
61.98810	0.8
69.23920	2.9
69.24342	2.9
71.05022	6.4
75.00851	0.7
75.48040	0.6
83.05018	1.9
83.73866	0.6
85.06591	7.5
88.25707	0.6
97.06572	2.2
99.00859	1.1
99.08147	3.5
109.06597	0.8
110.02488	1.5
111.00881	0.7
111.08142	2.8
121.06580	0.8
123.04505	0.5
125.06057	0.8
125.09705	5.6
127.11136	0.6
130.07358	0.6
139.07675	0.6
143.07159	5.4
149.06001	0.8
153.12842	3.3
163.11288	1.0
181.12347	12.2
182.12669	0.6
197.11794	4.5
199.13385	100.0
200.13687	4.1
201.26089	0.6
207.10262	2.0
225.11324	6.4
228.61656	0.6
243.02983	1.5
243.06599	2.7
243.12360	36.8
244.12790	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.13997	0.6
54.54210	0.7
57.12675	0.7
59.01380	100.0
61.98830	1.7
71.01190	1.3
110.02497	1.2
111.00949	1.0
113.33858	0.8
139.10226	1.0
139.11288	19.3
163.11288	3.3
181.12338	30.0
182.12730	1.4
183.10255	15.2
199.13414	10.1
207.10374	1.5
214.94746	0.7
225.11308	8.2
239.59100	0.8
243.03072	1.2
243.06657	2.3
243.12346	56.9
244.12703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07739	0.7
59.01372	2.4
67.01891	42.3
70.17868	3.2
73.97299	0.6
77.48861	0.7
83.73822	0.8
87.00880	10.8
93.03481	1.1
99.00890	0.8
103.00382	1.2
110.02486	1.4
111.00882	100.0
112.01223	1.9
112.98790	3.5
142.99959	0.8
151.56706	0.8
205.33054	0.7
207.10381	0.9
213.67725	0.8
243.01382	1.4
243.12326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61877	1.2
53.25838	1.1
57.03439	2.3
59.01367	0.9
60.36040	1.0
61.98833	9.9
68.24180	1.0
71.05041	1.2
71.43048	1.2
71.43394	1.2
81.03463	1.4
83.05029	3.9
85.22991	0.9
95.05032	1.8
97.06590	10.2
99.55815	1.1
103.92044	1.2
108.02174	2.0
109.02897	1.4
109.06548	1.1
111.08146	10.8
163.11295	3.3
165.12848	100.0
166.13148	4.6
184.00110	1.3
197.15483	21.6
198.15822	1.2
209.11827	4.3
225.02611	1.2
241.05000	2.0
241.14499	5.9
241.18045	1.4
241.21709	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	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25754	0.2
50.46523	0.2
57.28836	0.2
59.01382	1.3
59.96712	0.7
61.85596	0.2
61.98827	0.3
70.50899	0.7
71.01340	0.3
74.99074	13.3
75.96214	0.7
78.15702	0.2
91.02209	10.4
93.00132	2.4
149.00964	5.7
150.98860	0.4
161.04582	0.3
179.05630	0.9
206.99698	3.6
223.02826	100.0
224.02896	6.6
239.05795	0.2
241.03889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01381	2.4
61.46828	0.6
61.98824	0.7
74.25644	0.6
89.80236	0.6
89.97124	0.7
95.05000	1.0
98.20625	1.2
101.06097	7.2
109.06599	5.1
111.08144	5.3
122.03744	0.8
134.74332	0.6
138.06906	1.0
139.04004	13.5
154.06364	29.4
155.06699	1.0
167.14398	10.5
179.05612	1.6
179.10764	4.2
182.05794	3.2
187.88611	0.7
190.66670	0.6
195.13901	100.0
196.14256	3.9
239.12880	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	241.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81831	4.8
57.03440	8.8
59.01380	9.4
65.11662	4.2
70.70505	10.3
71.01394	24.5
72.99312	8.9
73.02953	5.5
73.35027	3.4
78.95919	6.0
82.02992	5.8
83.01405	9.7
85.02943	10.9
89.02414	5.8
96.00923	4.5
96.96028	11.2
99.00903	39.9
101.02470	3.9
110.91174	3.9
111.00894	22.3
112.98821	100.0
114.05715	3.9
115.00412	8.1
124.98866	5.3
129.01942	16.4
140.98274	3.4
141.57845	3.3
142.99860	75.1
145.01411	10.0
150.90746	4.7
173.00916	93.9
174.35681	3.6
177.82816	4.0
205.03535	30.1
208.98634	18.2
222.89125	4.1
224.15932	3.6
240.90492	5.3
241.01224	10.1
241.05005	3.7
241.07961	4.1
256.17825	3.7
257.17319	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01877	0.6
57.03451	1.0
61.98842	0.9
62.34190	0.5
69.03454	3.5
69.92594	2.6
71.05014	4.2
77.02565	0.6
83.05035	3.2
97.06634	0.7
98.20556	0.8
119.52065	0.5
123.08175	1.0
125.09770	2.5
137.09756	0.7
141.09219	0.7
151.11307	1.3
153.12854	2.9
161.09708	0.8
179.10773	6.1
197.11826	100.0
198.12170	3.1
221.02866	0.6
223.09760	1.6
241.10805	70.8
241.21803	0.9
242.11076	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	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
71.01384	21.9
73.43500	0.6
74.05944	0.6
93.03480	1.1
96.96026	2.0
101.02434	2.1
113.02438	0.9
115.00373	10.1
121.02960	100.0
122.03326	2.1
133.02904	1.0
136.57932	0.6
149.06148	0.9
149.09685	0.7
193.08649	0.9
229.44278	0.9
237.07758	1.9
237.11340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
59.53759	0.2
61.98833	0.8
69.73922	0.4
69.74327	1.0
91.57654	0.3
98.20612	0.3
134.03763	0.8
135.04507	0.4
136.05305	0.8
148.05304	10.4
149.06071	0.4
149.09721	1.5
159.08115	0.2
162.06845	0.5
165.01682	0.2
175.07678	0.5
176.08409	1.1
177.09203	47.7
178.09540	1.5
190.09999	2.0
191.10703	1.0
192.11552	32.8
193.11847	1.6
201.09152	0.4
203.07100	0.8
206.09656	0.3
217.08679	3.3
218.09467	9.2
219.09866	0.7
236.10519	100.0
237.10905	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.2
59.96723	0.4
60.97515	0.9
70.98958	0.6
70.99286	0.3
74.50614	0.3
74.99071	9.4
75.96223	0.3
80.27031	0.3
91.02210	1.0
91.38467	0.3
93.00139	1.9
93.03465	1.0
118.96227	2.0
134.99408	8.0
135.99367	0.5
136.97310	2.5
141.07384	0.5
143.05275	1.3
149.00957	75.5
150.00906	2.7
150.98860	0.9
152.96921	0.3
159.08464	1.7
161.06416	4.0
173.04553	1.3
201.04076	0.4
215.05534	1.3
215.09146	0.3
215.34505	0.3
217.07207	100.0
218.07355	5.5
233.10339	99.9
234.10434	6.5
234.15791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0725
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.01857	1.2
57.03442	2.1
59.01384	13.0
60.64279	1.1
61.98812	1.8
69.03442	2.7
70.28661	3.7
70.29052	2.5
71.01379	15.1
72.00915	8.0
72.99306	5.6
73.02947	3.8
74.02463	1.5
79.95750	2.9
80.96519	5.2
83.01384	1.8
83.05025	2.0
85.02975	7.1
86.02492	13.2
87.00874	7.9
89.02463	2.9
92.05062	43.7
93.03489	2.0
95.01396	2.5
97.02951	13.1
98.02483	3.4
101.02459	7.6
104.15854	1.5
108.04572	1.7
111.00884	2.4
113.02457	6.8
115.00365	2.2
115.04014	4.1
116.05029	2.0
118.06637	5.6
120.04549	14.9
123.04489	1.3
126.97261	1.4
127.04002	1.5
128.05070	6.5
130.06635	3.2
131.03772	30.8
134.03781	3.9
134.06133	12.4
135.04515	2.9
141.01942	17.9
144.04556	42.1
145.04947	2.2
146.02484	15.8
146.06125	31.0
147.03214	2.3
147.04524	2.6
148.04051	100.0
149.04402	3.0
149.06085	6.6
155.03552	2.1
155.06160	6.2
157.05331	3.1
159.03006	4.7
161.02448	1.5
161.04634	2.0
162.89337	1.4
163.00299	2.1
163.04018	4.6
163.08798	1.6
164.04826	2.3
164.07063	1.4
171.05649	5.4
172.04042	3.3
173.07239	32.2
174.07454	1.6
174.31036	1.4
190.05080	17.5
190.99915	1.6
191.03375	1.7
191.08476	1.9
191.10768	1.8
192.06674	2.9
203.01991	9.6
217.06201	7.4
220.03798	2.1
235.02774	6.7
235.07274	75.9
236.02327	1.3
236.07730	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	231.1601
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03444	1.6
59.01377	0.4
68.14016	0.2
69.14810	1.0
69.15237	1.7
71.01380	3.6
87.04520	0.4
92.64697	0.3
98.20645	0.7
115.00368	0.4
115.07646	4.0
127.11287	2.3
155.14366	0.6
171.10246	5.0
183.13911	0.4
185.15398	0.6
195.13794	0.4
213.14940	5.0
229.14392	3.0
231.15999	100.0
232.16333	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	232.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.95421	10.1
71.01378	3.5
73.01151	3.0
74.02465	2.6
74.85812	2.1
78.62764	2.1
87.00893	5.3
88.04028	6.3
92.09439	2.1
93.03457	9.9
94.77231	2.3
130.05049	2.4
131.07243	3.1
144.08508	4.1
168.84294	2.6
173.04526	9.5
233.06659	5.6
233.10345	3.2
233.15486	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33950	0.6
58.00591	1.0
59.01382	23.9
60.04784	0.6
69.62715	3.7
72.99316	0.8
84.99315	1.8
87.00880	21.7
101.06084	100.0
102.06413	1.3
102.99728	1.2
103.00381	18.5
103.44971	0.6
112.98813	28.6
130.99870	3.7
220.43576	0.6
233.06653	8.2
243.71704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96831	0.9
59.01384	29.6
70.27147	3.2
74.08057	0.7
84.99326	2.0
87.00880	20.0
98.20654	1.1
101.06086	100.0
102.06409	2.4
103.00381	14.0
112.98818	26.0
125.21238	0.9
130.99855	3.6
152.53954	0.9
199.26637	0.8
233.06645	5.7
233.15553	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	231.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.0
60.26611	0.6
61.02470	0.7
67.73888	0.7
71.08361	1.5
72.99316	1.7
84.99319	1.0
87.00881	21.8
93.46604	1.1
99.04522	100.0
100.04868	2.2
102.19292	0.6
103.00383	11.6
112.98816	22.7
130.08778	0.8
130.99879	2.0
149.00876	1.1
169.40234	0.7
205.54588	0.8
231.05093	3.0
231.08780	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	228.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72935	0.4
54.18941	0.4
59.01371	1.0
65.86800	0.4
69.43806	0.4
70.02981	1.1
71.01388	8.0
72.00956	0.5
87.00919	0.4
88.04047	100.0
89.04377	0.9
96.99318	1.7
112.07690	3.5
113.06097	9.7
114.01976	7.4
115.00382	16.0
116.11931	0.4
126.45361	0.4
128.03505	0.6
132.03038	58.3
145.06184	0.4
166.08798	0.4
184.09760	4.2
210.07788	1.4
228.08821	19.8
229.08929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0127
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
55.37995	0.9
59.01374	1.7
69.62942	0.9
69.90387	3.0
70.99617	1.1
72.99297	0.9
73.01167	6.5
78.95941	0.9
80.05042	2.7
81.03437	1.0
82.02990	8.7
87.00862	2.2
96.04553	30.3
98.99120	4.7
99.04502	3.3
108.04552	28.6
112.98775	1.4
114.00191	88.9
114.05608	1.2
115.00460	0.9
124.00446	1.6
125.54432	0.8
126.01968	1.5
142.03317	100.0
143.03638	1.8
149.00867	1.7
159.06581	0.8
167.76169	1.0
176.11534	0.9
186.02309	37.6
186.04054	2.8
187.96942	0.8
211.03882	0.8
215.61853	0.8
220.85364	1.0
230.01257	79.2
230.10228	1.2
231.01575	3.4
231.08618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43943	1.4
59.01379	8.9
59.88633	1.1
64.56842	1.3
69.86839	5.7
72.19697	1.1
72.99316	100.0
74.99360	2.8
82.99842	1.4
85.01463	33.4
86.99385	4.0
91.00800	1.2
95.70926	1.1
98.99380	4.5
99.03066	1.3
101.00955	58.4
102.01043	2.5
102.52770	1.1
102.57768	1.2
102.98917	9.0
114.98878	5.2
117.00452	69.1
118.00574	2.8
125.00967	32.4
126.98887	48.2
127.99009	2.4
129.00433	4.8
141.00455	48.6
141.97525	2.0
142.00534	1.9
143.02011	6.9
144.99945	10.3
168.99939	98.5
170.00072	6.7
170.97821	2.5
172.99429	56.6
173.99553	4.6
180.41447	1.3
212.98920	70.0
213.99091	4.6
230.99968	68.1
232.00134	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	227.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33620	0.4
65.00327	0.5
67.01899	0.5
68.63351	0.4
92.11452	0.5
93.03418	0.4
95.01405	1.0
95.02048	0.4
96.50536	0.4
98.20646	1.5
99.00895	0.6
99.92569	1.0
111.00861	0.9
139.00336	0.9
139.11252	0.9
150.98320	0.4
165.12849	1.5
172.75691	0.4
183.13881	8.9
183.15396	0.7
192.75125	0.4
226.80124	0.6
226.98291	0.5
227.12930	2.5
227.20157	100.0
228.20496	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	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
57.37329	0.3
69.91771	1.4
110.00602	0.3
113.96040	0.3
115.26978	0.3
126.12488	0.3
130.96744	0.3
144.13145	0.3
151.09261	0.3
153.45815	0.3
175.77158	0.3
183.13831	0.8
212.89661	0.3
227.20168	100.0
228.20517	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	228.0515
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
56.32183	0.9
59.01384	2.5
59.56565	0.8
61.48671	0.9
62.96111	0.9
64.95278	0.8
66.31465	0.8
69.38779	5.0
69.39194	3.1
80.05068	2.9
83.01440	1.2
91.82441	0.9
92.05060	7.2
94.06624	22.1
96.04578	1.1
98.20609	1.7
107.03788	3.5
108.04566	2.5
110.06097	2.1
112.04068	1.4
112.07656	1.1
112.98880	1.2
119.64055	1.0
120.04552	2.8
122.06129	100.0
123.06466	2.3
128.03607	1.2
134.29405	0.9
138.05602	5.0
140.07188	7.1
166.05095	56.5
184.06152	13.9
210.04092	3.8
228.02946	1.7
228.05141	27.7
228.08659	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.27129	0.2
57.03453	0.3
68.78098	0.2
69.03447	0.3
70.28033	0.2
83.05021	0.4
92.57591	0.2
103.12490	0.2
111.08147	1.1
111.55184	0.3
157.24756	0.2
165.12845	19.2
166.13199	0.7
183.13896	100.0
184.14240	3.9
191.10785	0.2
209.11841	3.6
227.12881	17.6
227.20189	0.6
228.13219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
57.03430	1.5
59.01373	1.3
67.10977	0.6
67.26049	0.7
68.99807	1.1
69.03470	0.8
71.01362	0.8
71.42288	1.1
74.43860	0.6
76.09248	0.6
76.99459	0.8
83.01398	0.8
83.05019	2.2
84.02169	0.8
95.01378	1.0
97.06597	2.1
111.00908	1.2
111.08168	4.5
112.98840	1.1
139.11304	1.1
163.11269	2.0
165.12839	30.2
181.12259	0.8
183.13902	47.0
184.14330	0.9
185.06027	0.8
199.07668	1.2
209.11810	23.8
212.06772	0.8
227.03563	1.7
227.07094	2.0
227.12880	100.0
227.20201	7.4
228.13211	4.3
233.90201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
70.60205	0.5
74.07924	0.6
82.36100	0.5
102.75660	0.5
120.97668	0.7
128.06812	0.5
165.12854	17.8
166.13240	0.8
183.13910	100.0
184.14232	5.2
209.11842	1.3
227.12878	18.8
228.13210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.92480	0.8
59.01369	3.0
60.08814	0.8
61.98829	10.3
63.12831	0.8
68.08059	0.7
68.99793	0.7
71.05004	0.9
75.25156	0.7
83.05046	1.5
93.03450	5.1
94.93606	2.2
97.02960	10.3
99.00896	3.0
109.06606	2.0
110.03745	3.9
123.04543	1.2
123.99672	0.7
125.09727	1.0
126.90517	2.7
134.78784	0.8
135.08154	1.6
136.05275	2.3
136.98816	0.8
137.02431	2.4
142.02754	5.9
142.54549	0.8
161.09641	1.4
163.11290	12.5
165.01898	1.5
179.10733	1.1
181.12337	31.5
182.12634	0.9
189.09167	0.9
195.03006	1.1
197.11772	1.3
207.10257	74.6
208.10548	2.8
210.05397	1.5
224.90576	1.8
225.00369	1.3
225.11314	100.0
225.92676	2.9
226.11679	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	225.186
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
54.03688	0.6
59.01371	1.1
61.98832	3.4
62.22249	0.6
64.94688	0.6
65.00322	4.8
69.55880	0.6
70.94404	0.6
71.51550	0.7
81.03453	0.9
83.05032	1.6
93.03471	7.6
94.06361	0.7
105.82952	0.7
109.02985	1.0
126.90501	2.9
127.42504	0.6
136.98796	5.6
137.02448	2.6
138.02052	0.6
153.01988	0.7
200.07964	0.6
206.99313	1.1
207.10318	0.6
207.17593	1.2
224.80461	0.8
224.90541	2.4
225.00443	2.9
225.11292	1.8
225.18597	100.0
226.18936	4.2
249.30313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0924
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
51.92804	0.5
66.98550	0.4
69.25044	0.4
70.04159	0.9
70.04540	0.9
72.99308	100.0
73.08530	0.4
73.99628	0.8
75.00880	2.8
79.95737	1.5
86.06629	0.5
93.03482	0.6
97.02966	0.7
111.00884	0.8
112.98821	0.8
121.02985	0.5
122.03777	0.7
123.04493	0.5
123.08183	0.6
125.06122	0.5
137.06113	0.9
138.06839	1.1
139.00389	0.4
139.07648	2.2
151.07658	3.5
152.04813	0.7
152.08441	4.1
153.09201	1.7
159.75504	0.4
165.09241	4.5
183.10292	0.7
183.13921	2.9
185.06067	0.5
199.07660	0.7
208.13226	0.4
209.06433	0.6
209.08160	2.5
209.11638	0.6
210.06871	0.9
226.06418	2.5
227.07141	13.0
227.09302	33.5
227.20158	2.4
228.09586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
53.89952	0.9
57.03449	1.5
59.01382	4.8
61.98828	2.4
64.64382	0.9
69.03461	6.6
71.01393	1.3
71.05011	2.4
71.27855	1.4
74.99050	1.4
83.05073	1.1
109.06543	2.3
111.08184	1.1
161.13400	1.8
166.06451	1.3
167.10791	9.3
176.83803	1.4
177.12787	2.2
179.10797	4.7
179.14413	12.9
195.13890	32.7
196.14334	1.3
205.12337	25.6
208.03951	1.3
223.02745	3.0
223.13391	100.0
224.13718	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	224.0943
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
52.62683	0.3
59.01386	0.5
73.32044	0.3
85.02968	0.5
87.69698	0.4
93.03464	1.4
96.95992	1.9
102.72025	0.4
106.02853	2.7
109.02961	0.6
117.02077	1.0
132.03162	8.5
133.03946	100.0
133.90921	0.4
134.04279	1.5
137.02449	0.8
153.01904	0.4
167.06198	1.5
173.04533	0.6
181.08664	0.4
181.12358	0.5
187.07571	0.6
197.07245	1.2
208.07623	0.7
209.04158	0.5
224.09402	76.9
224.90530	0.5
225.09657	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	222.0772
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
59.01369	2.8
59.64353	1.0
69.62238	5.4
70.53695	0.9
71.01355	1.0
72.00909	2.7
72.99319	1.3
74.02476	100.0
80.96524	1.5
85.02963	1.7
86.02483	28.4
91.05525	4.2
96.96004	1.2
103.05567	2.6
119.05015	1.1
120.61098	0.9
125.02448	1.8
129.01924	3.7
132.08185	12.0
134.03561	1.7
134.06093	1.1
135.04590	1.4
137.02472	0.9
147.04527	61.4
148.04849	1.3
149.06108	7.4
160.07722	2.6
162.05632	1.3
164.07159	5.0
165.76363	0.9
167.82886	0.9
171.64964	0.9
176.07159	2.7
178.08723	26.2
204.06721	2.7
222.07713	68.7
223.02682	1.7
223.04539	2.5
223.08025	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	223.0283
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01383	0.3
59.96721	0.8
60.26298	0.1
61.98821	0.9
70.83350	0.3
73.01130	0.3
74.99072	19.9
75.96226	0.8
82.85800	0.2
85.63654	0.1
93.00140	3.5
96.95992	0.2
113.52663	0.2
149.00954	12.4
150.00929	0.3
150.98856	0.7
163.38725	0.2
176.83783	0.2
187.52052	0.1
193.01460	0.2
206.99687	5.8
207.99812	0.3
217.30081	0.2
223.02824	100.0
224.02882	6.1
225.00766	0.2
241.03955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
57.03456	5.9
57.03672	1.0
59.01377	3.1
60.09871	1.1
69.03444	3.0
71.01382	5.1
71.32896	1.2
72.98889	2.1
72.99306	42.2
73.02934	2.0
75.00879	7.5
80.96510	2.2
81.03457	22.0
83.01382	2.4
84.02138	1.2
84.90023	1.1
85.02951	38.6
87.00869	6.1
97.02936	3.5
99.00883	25.0
99.01530	1.5
101.02454	1.6
103.04060	1.1
111.00883	3.5
113.02435	7.9
117.01940	5.3
125.02442	73.2
126.02763	1.6
128.97139	1.1
129.01942	88.3
130.02255	1.8
131.03473	2.4
136.17902	1.2
143.03510	10.9
144.03819	1.5
147.02989	33.9
155.41516	1.1
161.04536	4.3
169.01453	2.8
190.15080	1.3
205.03519	45.8
206.03804	1.3
223.02852	3.8
223.04572	100.0
224.04909	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	219.0776
Annotation	2-HYDROXY-L-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.51019	1.4
56.27250	1.3
56.57487	1.4
57.89171	1.6
59.01377	7.0
71.01396	3.2
71.51150	2.2
72.00908	15.9
74.02482	37.1
75.00885	3.8
83.80890	1.6
84.59650	1.5
86.02488	5.5
87.04523	3.7
92.05109	1.7
101.02470	2.4
112.98853	2.2
116.05110	2.1
118.06647	3.8
129.01952	2.0
130.06667	5.7
131.03790	3.0
132.04564	100.0
133.04907	2.5
140.64064	1.8
141.47952	1.5
144.04562	90.7
145.04971	3.5
145.74783	1.6
146.06177	2.4
147.00842	1.6
147.04562	3.6
157.07722	41.1
158.06120	11.4
175.03978	4.0
175.07411	1.8
175.08812	23.8
201.06723	6.4
204.04245	2.9
219.03044	5.3
219.07777	92.6
219.17542	68.3
220.08156	3.7
220.18076	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	221.1546
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
58.33391	0.2
59.01371	0.3
59.54066	0.1
62.37870	0.1
65.25160	0.1
70.42260	0.2
86.82796	0.1
98.20052	0.2
116.61687	0.1
122.86242	0.1
123.19556	0.2
127.07645	0.6
127.44361	0.1
148.05289	0.3
149.06029	0.5
151.07585	0.3
164.08438	1.9
165.08960	0.2
205.12349	1.8
206.12631	0.9
207.13834	1.2
208.01344	0.2
220.14685	4.3
221.15443	100.0
222.15791	4.3
235.13380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.01382	26.6
66.08159	1.6
69.03442	2.4
70.85195	1.3
71.01381	3.2
71.50518	3.0
72.00901	6.4
72.99306	3.3
74.02470	20.4
75.00881	3.6
79.95745	2.3
80.96484	1.8
83.05035	1.8
85.02940	4.0
85.06612	2.9
86.02485	35.6
87.00887	23.9
87.04520	76.1
88.61040	1.6
92.05051	8.3
95.05029	3.3
97.03045	1.3
98.02464	2.0
101.02422	9.3
103.00388	11.7
111.04556	1.9
112.98821	17.3
113.02377	2.0
113.06123	7.5
116.05023	2.0
118.03013	1.8
120.04556	3.6
124.94595	1.4
127.04029	2.4
127.14374	1.6
129.01991	2.9
129.05606	8.8
130.06657	8.1
130.99834	1.8
131.03778	17.7
132.04565	44.8
139.04025	22.2
141.06667	1.8
144.04570	41.9
145.01459	8.8
145.04964	2.0
146.04843	2.2
147.04497	4.2
153.98244	1.5
157.05052	5.6
157.07718	100.0
158.06104	14.8
158.08061	2.8
163.03894	1.4
166.16248	1.8
173.07162	1.8
173.17285	1.6
175.04005	3.7
175.08864	3.6
176.09218	2.0
184.03979	3.0
201.04001	8.0
201.06668	5.4
202.05165	2.1
214.78056	1.5
219.02971	8.0
219.05081	21.2
219.07722	38.4
219.17549	36.9
220.17975	2.3
225.39940	1.4
228.07852	1.8
228.61801	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	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.3
59.01377	38.0
70.92655	0.8
70.92998	2.0
72.99311	1.3
83.37582	0.8
84.99309	1.6
87.00353	0.9
87.00878	20.8
87.04514	100.0
87.32097	0.9
88.04854	1.2
103.00368	18.7
104.67767	0.9
112.98809	31.0
130.06593	1.2
130.99886	1.9
146.74472	0.8
157.07706	36.1
158.08047	1.1
177.99239	1.0
201.06693	1.8
201.75146	0.8
219.05125	4.3
219.07574	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	219.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54004	0.8
54.40413	0.8
57.03444	1.0
59.01372	7.2
61.52362	1.1
62.40722	1.0
69.03453	2.5
69.26440	7.5
71.01368	1.4
71.27378	1.1
72.00912	7.6
72.99302	2.8
73.02921	1.2
74.02478	22.9
79.95754	1.0
83.01375	1.3
85.02956	2.2
86.02480	40.3
87.00876	23.3
87.04515	28.7
87.05616	1.0
92.05070	11.2
95.04996	3.0
97.02962	1.4
99.00875	1.5
101.02408	1.7
103.00368	3.5
112.98805	3.6
113.02417	2.0
113.06075	3.3
116.05064	2.3
118.02994	2.2
118.06596	1.0
118.98064	1.5
120.04517	2.5
128.11766	0.9
129.01962	1.5
129.05608	2.8
130.06636	7.8
131.03650	29.1
132.04561	48.2
139.04027	15.5
144.04549	51.3
145.04918	1.4
146.04906	1.6
146.06137	2.0
147.04488	1.2
157.05067	3.2
157.07709	100.0
158.06107	15.1
158.08057	2.4
173.07286	1.5
175.04036	1.7
175.08730	4.0
176.09265	1.9
184.04073	1.9
201.04057	9.0
201.06648	5.9
202.05130	3.2
204.04253	1.6
218.44907	1.1
219.03055	2.8
219.05086	18.0
219.07710	48.7
219.17535	16.2
220.07942	1.9
233.00337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.90095	0.5
60.01720	0.8
61.98830	8.9
70.36684	1.6
78.52606	0.5
83.42947	0.5
90.97146	2.4
91.92101	0.6
96.96027	0.8
116.92897	0.8
118.96621	0.5
122.89511	0.8
124.07536	0.5
124.89124	22.9
132.98218	2.5
149.65987	0.6
158.84755	0.7
165.49687	0.5
170.88467	5.7
174.99245	27.3
188.89439	11.0
195.84045	0.5
216.87843	0.7
217.00278	23.4
218.04567	1.0
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	Sodium pantothenate
Peak:m/z	Relative Intensity
57.06756	0.5
58.06602	0.5
59.01371	2.0
65.82621	0.5
68.50744	0.6
70.93533	1.5
71.01389	12.5
71.05022	20.4
72.00904	0.5
72.04572	0.7
88.04043	100.0
89.04396	1.0
99.04514	7.0
102.67107	0.6
111.76725	0.5
116.03514	0.7
116.07176	2.4
129.05589	1.7
132.04562	0.6
146.08235	51.4
147.08540	1.0
156.56670	0.6
218.10326	24.5
219.17479	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	216.0876
Annotation	CJ 15801
Peak:m/z	Relative Intensity
57.03455	1.4
58.02976	53.7
59.01391	1.5
60.72252	0.8
61.57414	0.9
64.05866	1.0
66.03482	1.8
69.03464	6.0
69.03790	1.4
70.37292	3.5
72.00918	2.1
73.02949	9.6
81.03451	1.9
83.56175	0.9
84.04552	25.2
93.62943	0.9
96.04491	1.1
98.06104	3.7
100.04065	1.2
110.06092	1.0
112.07690	23.0
116.11470	0.9
125.02448	1.0
134.25749	1.0
140.07188	20.9
144.03035	4.0
163.07416	1.0
174.07709	7.5
184.06140	14.2
185.06392	0.9
216.08763	100.0
217.09108	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	215.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77567	10.8
59.01368	40.9
60.53895	9.7
61.95937	10.6
67.08624	14.8
71.01368	42.2
71.50258	14.1
82.02964	58.5
83.05009	43.5
85.02946	19.3
88.04047	79.0
89.02452	53.5
89.73531	13.6
96.04598	12.8
96.96020	14.9
98.02454	46.6
99.00882	23.2
99.04507	16.8
100.04037	22.0
109.02939	12.5
110.06097	21.3
110.84183	12.7
127.04035	17.3
144.00894	13.5
154.05115	19.6
156.02995	19.5
170.04601	63.5
188.51788	11.7
198.04106	25.9
215.00870	100.0
215.03574	13.4
215.05400	23.1
215.09297	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	215.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77567	10.8
59.01368	40.9
60.53895	9.7
61.95937	10.6
67.08624	14.8
71.01368	42.2
71.50258	14.1
82.02964	58.5
83.05009	43.5
85.02946	19.3
88.04047	79.0
89.02452	53.5
89.73531	13.6
96.04598	12.8
96.96020	14.9
98.02454	46.6
99.00882	23.2
99.04507	16.8
100.04037	22.0
109.02939	12.5
110.06097	21.3
110.84183	12.7
127.04035	17.3
144.00894	13.5
154.05115	19.6
156.02995	19.5
170.04601	63.5
188.51788	11.7
198.04106	25.9
215.00870	100.0
215.03574	13.4
215.05400	23.1
215.09297	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01372	0.4
61.98841	0.8
64.79419	0.3
68.25883	0.4
71.00356	0.8
108.15935	0.3
123.52009	0.3
165.12810	0.4
169.86699	0.4
177.12798	0.4
183.13901	28.9
184.14212	0.9
195.13901	25.1
196.14218	0.8
211.13354	1.0
213.01910	0.5
213.14958	100.0
214.15292	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	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
52.36538	1.8
55.01871	4.0
59.01383	2.7
61.98829	13.2
69.03458	10.1
70.06771	3.4
70.07170	4.2
71.05023	100.0
83.04989	2.4
85.02933	3.5
87.00907	3.6
97.02953	12.8
97.06570	10.3
99.08096	1.8
115.04017	16.0
115.07663	15.6
118.92403	7.6
120.89873	3.8
123.08165	2.2
125.09701	5.3
126.06921	2.3
127.11299	61.3
141.09200	6.2
141.12807	3.5
151.11263	9.9
169.08516	2.1
169.12344	87.4
169.15869	4.0
170.12733	2.8
176.98274	2.5
177.90329	2.7
194.99318	4.1
195.10309	2.6
195.13898	2.8
197.99130	4.8
213.01826	2.8
213.05574	1.9
213.07623	3.6
213.11356	22.1
213.14952	34.4
213.18449	3.7
225.17897	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	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.96986	1.5
55.01859	1.8
55.33874	1.7
57.03443	2.9
59.01368	6.5
61.98833	10.4
62.46211	1.9
69.03465	14.4
69.74709	5.6
69.75124	4.7
71.01386	5.4
71.05018	26.2
80.02682	2.8
81.03418	1.9
87.96392	1.7
95.05029	3.5
97.06590	8.5
98.03733	29.2
99.04528	5.2
107.05041	2.1
109.59020	1.7
112.11664	1.6
113.09720	25.3
114.05649	1.8
115.07648	24.0
118.57861	1.9
118.92413	6.1
120.89841	2.5
125.09732	11.9
126.10100	1.6
127.11288	27.1
151.11282	100.0
152.11620	3.1
154.08884	2.0
166.38448	1.6
168.98888	1.9
169.12340	26.8
184.90245	3.1
190.21643	1.8
194.99303	4.6
195.10153	2.1
204.97198	1.9
213.01712	2.2
213.05696	2.2
213.07648	2.2
213.09239	2.9
213.11311	59.8
213.14905	5.7
213.18590	4.9
214.11658	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	213.0766
Annotation	GEIR-2
Peak:m/z	Relative Intensity
51.46626	2.5
51.89038	2.5
57.03470	2.9
59.01372	12.7
60.27408	2.6
68.99823	2.9
69.03433	3.0
70.81928	2.7
71.01382	95.2
71.05030	2.3
71.51997	5.1
72.99318	6.1
81.03465	3.2
83.66856	2.7
85.02906	3.6
85.06572	7.8
87.00886	25.1
88.48344	2.5
95.05059	3.1
97.06583	10.9
99.00880	8.1
105.05655	2.5
107.05009	3.7
108.02209	6.7
111.08163	39.0
113.06084	8.9
115.00389	21.3
121.06568	8.9
123.08157	8.9
124.01633	11.1
124.08552	2.5
125.06140	13.1
125.09701	3.4
127.07668	6.5
139.06622	4.8
139.07649	63.1
140.01099	4.0
141.09207	19.1
151.07628	21.8
152.01158	8.0
155.07143	58.9
167.07133	23.1
168.34573	3.0
169.08685	4.4
169.12334	4.4
176.98277	8.7
183.06612	4.2
185.08182	5.2
194.99294	5.1
195.06648	7.9
195.10226	4.9
213.07660	100.0
213.14838	4.0
213.18639	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01370	1.5
61.98834	7.3
69.03455	1.0
69.29746	2.5
69.30155	1.6
77.59557	0.4
80.65905	0.5
82.77588	0.5
89.43393	0.5
93.03424	0.6
95.01396	1.9
98.19925	1.0
123.00890	0.9
125.04378	0.7
137.02478	0.6
139.04074	0.6
151.07652	0.6
164.98302	0.5
167.06125	1.0
167.10764	1.7
167.14392	1.8
183.13907	15.1
193.12363	4.4
210.95049	1.2
211.13391	100.0
211.94525	0.5
212.13715	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09617	0.4
51.47414	0.4
59.01369	1.2
61.98830	9.0
67.01887	0.6
68.99800	0.4
69.03465	1.0
73.25726	0.5
83.05022	1.0
95.01385	2.0
98.20691	0.7
110.10080	0.5
111.04554	0.6
121.02950	1.0
123.00941	0.8
123.04520	0.7
124.03973	0.5
125.04404	1.1
125.06128	0.5
126.78309	0.5
134.03761	0.5
137.02452	0.7
139.00314	0.7
155.10693	0.6
163.04031	0.9
165.09189	0.5
165.12718	0.6
167.06155	0.8
167.10759	1.2
167.14429	2.1
183.13908	15.6
183.44817	0.5
192.97772	0.6
193.12340	4.4
210.94995	1.2
211.13390	100.0
211.94702	0.9
212.13736	4.1
219.31296	0.4
228.91734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0409
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
54.59490	0.4
58.51638	0.4
61.98840	0.5
64.01913	0.8
66.03482	0.5
70.52260	1.2
72.01721	0.6
77.03950	0.7
78.29615	0.5
85.02964	1.3
86.03284	1.0
92.05059	0.5
94.02977	2.3
94.06654	0.5
96.96025	1.3
103.04275	2.2
104.05067	38.1
105.05408	1.3
109.01681	0.7
110.06101	0.6
120.04546	7.3
122.03323	0.6
122.06108	1.6
124.04043	5.3
135.03250	0.6
148.01605	1.5
148.04051	62.1
149.04375	2.2
153.05573	1.2
163.04007	1.2
166.05092	100.0
167.05374	2.5
181.05122	1.6
192.02275	0.4
208.82297	0.5
210.04077	11.3
210.07454	0.8
211.04346	0.7
211.06186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0976
Annotation	7-Deoxyloganetin
Peak:m/z	Relative Intensity
59.01373	10.1
61.98832	1.3
63.02373	0.8
65.00321	2.8
67.01887	1.2
68.99789	0.8
71.01389	0.9
71.52097	1.5
72.99305	2.8
76.02618	0.8
80.02686	4.4
81.03454	20.2
83.01398	1.6
83.05041	2.7
85.02956	1.3
93.03483	1.3
95.01385	3.2
95.05047	1.0
96.57792	0.7
97.02941	1.0
97.06582	1.9
106.04242	2.4
107.01405	4.2
107.08666	3.3
108.02170	74.3
109.02948	2.5
111.00890	1.0
121.02957	2.3
121.06569	1.9
122.03723	3.0
123.00919	0.8
123.04563	1.3
123.08159	50.9
124.08532	1.8
125.09723	11.5
134.03735	1.8
135.04475	0.9
135.08119	1.3
136.05295	11.8
137.02432	2.1
137.09703	3.8
138.03264	1.1
139.07654	1.1
139.11290	0.9
140.05051	1.1
149.06099	0.8
149.09732	4.1
150.03226	8.0
151.00371	14.5
151.07640	100.0
152.07993	3.3
153.09212	12.7
163.03996	1.1
163.07623	3.4
165.09200	32.7
166.09541	1.1
167.06100	20.6
167.10767	2.0
168.06624	0.9
175.07602	1.0
178.99857	1.1
181.08714	16.1
183.10254	3.1
193.08685	27.6
194.08937	0.9
196.03731	1.3
211.02440	3.8
211.06123	1.0
211.07716	1.6
211.09746	28.8
211.13257	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	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98907	0.1
59.01358	0.1
61.98829	100.0
62.87356	0.1
62.98526	0.1
62.99274	0.1
69.77493	0.1
69.77863	0.3
82.99970	0.1
84.04553	0.1
84.93452	0.1
85.02968	0.1
89.87776	0.1
90.59603	0.1
94.02982	0.1
115.45067	0.1
124.04060	0.5
136.04892	0.1
145.01701	0.1
153.92271	0.1
163.95593	0.3
164.96413	0.4
166.91083	0.1
168.07593	0.1
172.15182	0.1
181.37888	0.1
193.74173	0.1
209.94891	29.7
210.94958	1.5
224.54527	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.20601	0.4
57.03451	2.5
59.01382	100.0
60.01720	0.5
61.98829	1.7
69.69400	2.6
78.63485	0.4
80.02695	0.7
81.03489	1.2
85.02957	0.7
92.76166	0.5
96.78600	0.5
97.06600	2.5
109.06579	3.1
121.02964	10.1
124.03973	0.4
150.40785	0.5
165.12834	3.7
209.04587	1.4
209.11832	12.0
209.95131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.20121	0.6
57.03432	3.6
59.01391	4.0
61.98830	9.8
63.61225	0.6
65.00329	1.1
67.01895	1.1
69.03467	0.8
69.44862	4.7
71.01378	9.5
73.02974	1.2
80.02693	1.5
81.03465	1.8
83.01389	1.2
83.05034	3.3
85.02943	3.5
91.01892	1.4
92.99811	3.2
93.03462	2.1
94.02995	2.4
95.01408	1.8
95.05027	2.7
97.06593	3.4
98.20631	0.9
103.65032	0.7
109.03017	1.1
111.08155	2.0
120.02131	1.3
121.02957	100.0
122.03246	1.5
123.08161	1.3
124.04049	7.5
125.02428	1.1
125.09714	2.7
135.04477	0.9
136.01672	0.8
136.98775	1.2
137.02415	1.1
137.06107	0.7
137.09702	1.4
145.10240	1.7
147.11765	1.1
149.02451	0.8
151.11278	15.7
152.11627	1.0
153.12822	1.9
161.09789	0.8
163.11282	5.4
164.94058	1.2
164.98250	1.5
165.01918	0.9
165.05544	1.3
165.09061	0.9
165.12845	13.1
167.10727	0.7
173.09615	1.2
177.01976	0.7
179.10762	4.3
181.12337	18.0
191.10733	8.3
194.02330	0.8
194.05801	0.9
209.00943	2.4
209.04553	14.0
209.11813	49.9
209.94899	3.1
210.12195	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	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01885	3.0
57.03452	3.0
57.13607	0.6
59.01381	2.4
61.98827	7.8
69.03455	1.3
70.07347	1.6
70.07741	1.1
71.01378	1.3
71.05032	0.7
79.65129	0.5
79.71137	0.5
79.88504	0.5
80.02680	1.0
81.03465	5.4
83.01388	32.3
83.05025	4.0
84.02178	1.5
85.02943	2.8
91.01900	1.6
92.99835	3.2
93.03454	1.9
94.02996	2.7
95.01398	0.6
95.05036	1.6
97.02973	0.8
97.06590	5.5
107.05063	0.8
109.02931	0.9
109.06567	1.0
110.03722	0.6
120.02174	1.2
121.02959	90.9
122.03314	2.0
123.08183	2.9
124.01663	0.7
124.04048	6.6
125.09726	27.1
126.10023	0.9
134.03574	0.6
135.08171	3.1
136.98853	1.2
137.02422	0.9
137.06053	1.1
147.11681	0.7
161.02431	1.3
163.11293	13.2
164.11670	0.7
164.94119	0.6
164.98318	1.6
165.01961	0.9
165.05550	0.9
165.09196	0.7
165.12866	4.3
166.12984	0.6
173.09724	0.9
179.03477	1.5
181.05167	0.6
181.12346	2.4
191.10793	10.1
194.05795	1.0
209.01202	1.2
209.04576	11.6
209.11823	100.0
209.94894	2.5
210.04813	0.6
210.07846	0.7
210.12135	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	209.0304
Annotation	L-glucaric acid
Peak:m/z	Relative Intensity
55.01880	2.0
57.03453	12.6
59.01382	16.5
67.30144	0.6
68.99809	1.5
69.73801	3.1
71.01389	31.2
72.61666	0.6
72.99312	4.5
73.02941	0.9
75.00879	3.7
77.36183	0.5
83.01405	2.3
84.02175	3.9
85.02958	100.0
86.03286	1.4
87.00885	3.3
89.02453	11.5
98.19931	1.0
101.02427	0.8
103.00394	1.9
111.00845	0.6
115.00382	1.5
121.02937	1.0
123.76041	0.6
129.01968	4.7
132.01483	0.6
133.01443	13.3
147.03059	3.0
191.01974	12.4
209.03036	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	209.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
55.01877	2.0
57.03447	18.8
58.00578	0.7
59.01376	16.8
68.99821	1.7
70.42625	1.0
70.42987	0.8
71.01381	27.1
72.99310	5.3
73.02940	1.9
75.00874	4.9
83.01387	3.9
84.02165	4.8
85.02948	100.0
86.03279	1.6
86.93993	0.5
87.00875	9.9
89.02438	8.8
97.02928	0.9
99.00891	3.0
101.02436	1.9
103.00351	2.6
111.00887	6.4
112.98791	2.4
114.02759	0.4
115.00402	2.2
115.04037	0.6
124.98753	0.5
129.01938	18.4
133.01419	7.6
137.40755	0.4
141.01965	1.2
142.99857	12.1
143.00914	0.9
147.02969	2.3
159.02986	3.0
163.10040	0.4
173.00890	3.4
175.07056	0.5
191.01971	19.9
209.01352	0.6
209.03030	19.0
209.06635	21.0
210.07043	0.6
225.68179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	L-glucaric acid
Peak:m/z	Relative Intensity
50.23245	0.7
53.00298	0.9
54.02079	0.6
55.01861	2.3
57.03445	11.6
59.01374	15.6
65.54798	0.7
68.99824	1.3
69.78017	1.5
69.78427	2.4
71.01379	24.8
72.99302	6.3
75.00860	4.0
83.01392	2.1
84.02175	2.6
85.02948	100.0
86.03271	1.4
87.00871	4.6
88.77889	0.7
89.02437	9.4
98.20685	0.9
99.00871	1.4
101.02429	1.0
103.00370	1.8
111.00861	4.3
112.98799	1.0
115.00367	2.5
129.01938	10.6
133.01428	10.1
139.09760	0.9
142.99867	3.9
147.02988	2.9
159.03053	0.8
173.00905	2.8
191.01965	21.6
195.21860	0.7
209.03014	22.8
209.06401	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	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.01667	0.6
57.03453	12.3
59.01384	15.3
64.60384	0.4
68.99825	1.6
70.29795	1.1
70.30193	1.3
71.01389	28.0
72.99310	5.6
73.02959	0.9
74.94925	0.5
75.00868	4.2
83.01427	2.4
84.02193	2.9
85.02956	100.0
86.03285	0.7
87.00889	3.7
89.02443	9.2
99.00884	0.6
101.41084	0.5
103.00388	1.7
104.90472	0.5
106.15170	0.5
111.00896	3.3
115.00398	1.4
129.01952	7.6
133.01436	10.1
147.03001	3.6
148.80392	0.5
152.91815	1.8
168.76079	0.5
173.00867	1.3
191.01988	25.2
192.02345	0.7
209.03032	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	207.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
56.97728	1.8
57.03440	11.3
59.01382	20.8
60.00004	2.2
67.01884	3.4
69.03450	5.6
70.88863	4.1
71.01384	34.6
72.99307	81.1
73.02556	4.3
73.02947	67.9
75.00864	3.4
83.01389	28.6
85.02951	91.1
95.01393	18.3
96.99337	2.2
99.00891	13.6
100.01657	8.7
101.02438	18.5
103.03993	2.2
113.02448	100.0
115.04005	3.3
118.98029	3.5
129.01961	13.0
131.02557	3.3
131.03502	38.8
153.20090	1.9
157.01443	11.5
175.02472	4.2
189.04033	10.6
207.05087	6.9
211.01772	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	207.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01839	1.7
55.01870	4.5
57.03448	10.4
59.01386	13.6
59.15479	1.6
67.01892	2.8
69.03447	6.1
69.91876	9.4
71.01383	29.0
72.99310	66.9
73.02947	64.5
75.00877	3.2
83.01395	25.8
84.50257	1.8
85.02951	79.5
89.02456	2.4
95.01389	14.9
99.00889	11.9
100.01669	8.7
101.02441	20.0
111.00880	2.6
113.02454	100.0
114.02802	3.0
118.98057	2.3
129.01967	12.3
131.03502	33.9
157.01430	12.6
174.35135	2.2
175.02443	2.3
189.03938	10.0
207.05122	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02976	34.4
69.74749	5.9
70.02974	11.5
72.00909	4.3
89.76267	1.3
91.05537	18.0
91.71250	1.4
94.14121	1.1
98.20637	2.0
101.10889	1.4
103.05526	2.3
104.34765	1.2
147.04529	34.7
164.07164	100.0
165.07515	2.9
185.37453	1.4
206.08211	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	206.9746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47335	0.1
59.01383	0.3
61.98834	100.0
62.98542	0.2
68.89927	0.1
69.75823	0.4
98.20547	0.1
102.67191	0.1
116.63927	0.1
133.07988	0.1
149.02411	0.2
162.98465	1.4
163.98663	0.1
164.96423	0.2
166.55519	0.1
177.01904	0.4
192.04369	0.5
206.97449	7.1
207.03024	0.2
207.06544	0.2
207.10229	0.1
207.97572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.84570	0.1
59.01386	0.2
70.63789	0.5
104.37493	0.2
104.56508	0.2
162.89413	0.2
163.75456	0.2
175.76532	0.2
189.12857	1.7
205.15965	100.0
206.16298	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01369	1.4
67.01896	7.1
71.01374	0.8
71.05044	0.7
72.99317	12.9
73.02950	3.9
81.03459	1.0
82.35683	0.5
83.01397	2.2
85.02957	3.7
87.00881	32.2
88.01222	0.8
96.35807	0.5
97.06576	0.6
99.00870	1.8
99.04511	2.5
101.02444	2.0
111.00890	100.0
112.01257	2.2
112.98853	1.0
115.00343	0.5
115.04031	1.8
125.02462	3.8
129.01950	1.4
130.99855	1.1
143.03508	9.4
143.07109	1.1
145.05075	2.1
154.99872	5.4
173.00908	5.6
205.03525	3.3
205.07149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13452	0.6
57.03425	0.7
58.00600	0.7
58.02949	0.6
59.01378	4.8
68.99789	0.7
71.01378	4.4
71.05038	1.5
71.31290	1.2
72.99310	28.0
73.02975	0.9
75.00892	2.7
81.03456	1.9
81.07108	4.3
83.01424	0.7
83.05046	0.8
85.02962	2.6
87.00899	2.0
87.04507	4.3
89.02464	0.7
93.03459	1.0
97.06615	0.8
98.73588	0.6
99.00885	2.1
99.04511	0.9
99.08171	7.6
101.02384	0.7
101.06075	4.7
107.05031	0.7
111.00920	1.6
113.06084	3.5
115.00365	3.5
115.07651	100.0
116.08014	1.9
117.03461	5.3
119.05028	2.1
121.02950	4.2
123.04520	1.2
124.98750	0.8
125.02490	3.3
125.06084	1.6
129.05583	40.7
130.05890	0.8
131.07227	0.6
133.02959	3.2
133.06595	2.8
135.04567	0.8
142.99834	1.0
143.03468	0.9
143.07143	29.5
145.01425	0.8
145.02959	1.0
146.03679	0.8
151.20667	0.8
154.99812	0.7
159.06673	4.8
161.02419	2.3
161.06100	4.5
161.08195	1.6
162.03210	1.8
162.89360	2.8
177.05534	0.8
205.01370	2.5
205.03418	1.0
205.05063	5.1
205.07120	32.2
205.08731	1.2
205.12346	1.1
205.15916	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16468	0.1
56.81355	0.1
59.01378	5.0
60.01710	2.3
61.01808	0.5
61.98829	100.0
70.25834	0.1
70.26179	0.4
80.91666	0.2
83.15842	0.1
92.43070	0.1
95.83200	0.1
105.96281	0.1
152.19337	0.1
160.03722	0.2
160.51462	0.1
162.01706	0.1
203.99931	0.5
204.02609	0.7
205.16045	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	205.0354
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
57.03450	2.3
59.01392	7.1
69.77950	1.0
71.01385	4.4
71.05027	17.3
71.30488	0.8
71.30840	1.0
72.99319	3.5
73.02953	10.0
75.00879	2.1
78.26799	1.0
81.03461	6.3
83.01369	1.2
84.02169	2.0
85.02967	3.1
87.00881	30.3
89.02445	1.1
99.00866	5.5
99.04527	30.1
101.02450	30.5
102.02765	0.9
103.00388	1.7
111.00879	4.2
112.98815	12.9
115.00343	2.9
115.04016	10.1
117.01936	1.6
125.02454	100.0
126.02789	3.5
130.99904	1.2
143.03494	11.6
145.01443	23.9
161.04575	1.0
187.02486	14.8
205.03525	24.0
205.07198	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	205.0353
Annotation	Homoisocitrate
Peak:m/z	Relative Intensity
53.03944	0.8
55.01874	2.1
55.23504	0.6
57.03456	1.3
59.01384	7.6
69.03474	2.7
71.01383	8.0
71.05020	8.9
72.99309	18.9
73.02955	4.1
75.00873	7.3
76.71673	0.7
79.95703	1.0
80.96567	0.8
81.03458	19.4
83.01394	2.9
84.02151	1.1
84.99303	0.9
85.02966	5.4
87.00880	19.4
89.02451	1.6
97.02961	1.8
98.19872	2.0
99.00888	19.8
99.04522	11.9
101.02454	12.2
103.00380	0.8
111.00900	4.5
112.98814	15.7
113.02460	3.1
115.00398	3.3
115.03999	3.9
115.08398	0.7
117.01933	4.8
125.02451	100.0
126.02824	2.4
129.01944	0.9
131.03485	3.0
143.03505	6.5
144.03043	1.2
145.01440	8.0
150.18507	0.7
161.02429	1.5
161.04578	2.1
169.01404	0.9
187.02499	6.3
196.44580	0.8
205.01720	1.0
205.03523	28.2
205.05424	1.7
205.07092	1.7
206.03831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.77383	0.3
57.03445	0.3
59.01375	0.6
61.98839	0.5
67.01897	0.4
70.22951	0.3
70.61221	0.2
71.01386	0.4
71.04988	0.4
77.02410	0.3
80.18488	0.3
81.03468	0.4
81.76152	0.3
83.05040	0.6
85.02929	0.3
92.99819	0.6
94.56287	0.3
99.00883	0.9
111.00854	0.8
113.02457	0.4
127.04034	0.5
137.09721	5.9
141.08607	0.3
155.10780	100.0
156.11119	3.0
181.08685	0.9
181.12370	0.3
198.76073	0.3
199.09752	7.7
199.11620	0.4
199.13490	0.6
199.17039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22287	0.3
58.43603	0.3
59.01383	100.0
60.01728	0.5
70.80441	0.6
70.80787	0.3
104.89908	0.3
113.04594	0.5
117.24287	0.3
157.03569	5.7
158.03763	0.5
159.01503	1.6
169.01268	0.3
201.02565	12.5
202.02693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03448	6.1
59.01386	1.9
68.24183	0.4
68.92402	0.4
69.03477	0.7
70.98247	1.0
71.05017	0.5
85.02985	0.5
93.70702	0.4
94.80730	0.4
111.08144	5.3
124.89302	0.4
125.99889	0.4
135.19449	0.5
137.09714	2.1
138.11575	0.5
139.11285	100.0
140.11635	3.1
157.12338	1.9
183.10252	50.5
184.10635	1.3
201.11310	86.7
202.11650	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
61.43283	0.7
68.17762	0.9
70.62863	2.2
70.63227	1.3
72.00502	0.9
72.00908	22.3
74.02470	31.5
87.87694	0.7
116.05064	100.0
116.76873	0.8
117.05376	2.4
130.06595	2.7
131.06947	0.8
142.06625	25.5
143.06956	1.0
157.07677	1.3
159.09268	17.2
160.09598	1.1
161.04875	1.1
186.05605	4.3
203.08257	60.7
204.08464	1.3
223.03636	0.8
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
54.95675	0.3
69.03420	0.4
70.63612	1.0
71.05022	0.8
81.07082	0.4
83.05061	0.5
94.04257	0.4
97.06593	16.5
99.08163	5.4
122.03754	2.6
123.00833	0.5
125.09750	0.9
126.03243	1.1
137.09731	2.4
138.03293	0.3
151.11295	1.2
153.12854	100.0
154.13214	3.6
160.84225	1.8
162.83908	3.6
179.10780	23.5
180.11087	0.8
182.02202	0.6
193.74982	0.3
197.11823	6.7
197.80713	2.1
203.84869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0772
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
56.81472	0.6
59.01372	1.1
65.00330	0.8
71.50906	0.7
72.99310	1.7
81.03456	0.7
83.05034	0.8
85.02948	2.2
92.05076	0.7
93.03472	1.2
94.02980	0.7
95.05027	0.8
96.96037	0.9
107.35678	0.7
108.04517	2.9
110.06139	1.6
111.04544	1.3
111.08129	0.7
112.04112	0.8
113.02464	0.7
121.05406	1.4
122.06106	5.0
124.04031	2.4
124.07689	100.0
125.08037	2.2
127.04041	0.7
133.02975	1.6
134.06119	1.8
135.03284	1.6
135.04504	0.9
136.04875	2.0
136.07686	57.3
137.06178	0.7
137.07993	2.1
147.94377	0.6
152.03592	1.8
154.05078	6.2
154.08771	1.8
155.07204	1.2
156.06688	0.6
156.89485	0.9
160.84192	1.3
161.02469	4.0
162.83908	2.5
168.06667	10.7
168.07999	0.9
180.04045	1.8
180.06657	61.3
181.06999	1.4
191.05617	2.2
197.80814	1.7
198.04100	2.1
198.07709	9.7
199.06126	1.6
199.17030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0249
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
50.03902	0.2
59.01361	0.2
61.41819	0.2
66.03489	1.1
69.03460	0.2
71.05004	0.3
71.07515	0.5
75.00844	0.7
80.05059	0.4
80.96520	0.4
82.02986	1.2
87.00919	0.3
94.02956	0.3
96.95990	0.5
97.12299	0.2
106.02966	0.3
107.03767	0.6
108.04553	100.0
109.04195	0.3
109.04887	2.8
121.02950	1.3
122.02493	0.2
124.04053	0.2
125.02470	0.3
134.68405	0.3
135.04532	1.1
138.05583	0.4
152.03529	37.1
153.03914	0.8
153.05562	0.3
166.99876	0.2
196.02505	6.7
196.05962	0.3
197.04584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44135	1.4
59.01389	2.4
61.98821	6.6
66.54945	1.5
73.22775	1.4
74.43328	1.3
75.29518	1.5
93.03441	1.4
95.01368	2.3
97.02940	1.8
97.06583	3.8
99.08160	1.7
109.02963	6.3
111.00871	2.0
116.92855	5.3
121.02945	2.8
123.00896	12.4
123.04520	2.5
125.02472	3.2
125.06111	1.5
126.90530	12.6
137.02469	2.0
138.03235	2.0
153.01938	4.7
153.05583	4.1
153.09225	2.1
153.11642	2.4
153.12863	33.5
154.13216	1.8
160.84213	37.6
161.84261	3.4
162.83920	100.0
166.99863	6.4
178.99895	5.1
179.03395	1.4
179.10759	8.9
182.02196	18.3
182.03613	2.4
182.07341	1.5
189.10280	1.9
194.33571	1.4
196.81157	1.5
196.89474	3.3
197.02126	4.1
197.04523	6.8
197.06082	37.8
197.08109	6.1
197.10069	2.1
197.11806	10.3
197.15414	3.3
197.80801	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28316	1.7
55.01873	5.4
56.02211	4.3
57.03446	5.5
58.00593	4.7
58.03787	3.9
59.01107	2.6
59.01381	37.1
60.01477	1.7
60.01720	15.3
69.03458	13.1
70.03798	13.0
70.80721	4.1
70.81059	2.7
70.83942	1.8
71.01385	48.8
72.01718	23.4
72.99303	8.4
73.02555	3.2
73.02950	47.0
74.03282	28.2
75.00880	15.3
80.02200	3.1
80.96519	4.7
81.03451	2.6
82.03802	4.6
83.01382	11.4
84.01729	15.7
85.02953	34.5
86.00082	7.2
86.03294	42.0
87.00432	4.7
87.00889	41.5
88.00678	3.0
88.01205	24.2
89.01308	2.9
89.02438	4.6
95.01395	6.0
96.01733	11.5
96.96957	2.7
97.02956	13.2
98.03298	23.9
99.00895	34.7
100.01222	36.9
101.02460	38.7
102.02099	2.5
102.02787	49.5
105.01907	2.1
111.00909	2.9
112.01243	6.5
113.01889	2.9
113.02525	3.3
114.02769	10.4
118.02301	2.7
118.39144	2.0
121.02945	2.6
123.00874	2.6
124.01214	7.9
125.02470	4.4
126.02779	24.3
128.04352	2.5
129.01892	3.5
136.05287	4.3
141.01537	7.9
142.02283	19.5
143.03105	2.5
156.03845	14.3
157.03876	2.1
160.03362	3.4
161.04550	18.3
162.04901	100.0
163.05028	4.8
176.06526	5.3
192.05957	4.2
194.04749	2.6
194.07526	65.5
195.03122	2.6
195.05052	6.5
195.07806	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	193.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.7
57.03460	8.8
58.00604	2.5
59.01106	2.9
59.01386	41.3
64.30748	1.8
67.01901	2.7
68.99835	2.4
69.03465	18.7
71.01390	51.1
71.13097	3.5
72.52855	1.7
72.99304	6.5
73.02956	65.2
75.00912	3.8
79.01916	5.0
81.03455	5.2
83.01403	25.2
84.02190	3.2
85.02959	69.0
86.00110	11.6
87.00886	52.9
87.30481	1.8
87.43893	1.6
89.02465	2.9
95.01397	14.3
97.02966	32.1
99.00890	53.0
99.04523	1.9
100.79274	1.5
101.02455	75.7
104.25964	1.7
107.01398	2.9
110.61948	1.9
111.00882	7.7
112.01662	4.7
113.02454	14.5
116.88008	1.7
123.00881	5.7
124.01698	3.1
125.02472	22.6
140.01149	6.1
141.01950	23.5
142.02782	2.8
143.03571	2.3
155.03526	12.4
157.05055	2.5
159.02989	4.5
161.04568	100.0
173.04597	2.3
175.06163	4.2
183.32161	1.7
191.05646	4.2
191.88776	1.7
193.07190	47.0
201.54764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.4
57.03440	7.3
58.00578	3.7
59.01376	36.7
68.99809	2.0
69.03455	20.3
71.01382	52.7
71.21178	2.8
72.99310	6.7
73.02948	61.3
75.00883	3.1
75.34647	1.5
78.23730	1.6
79.01895	4.4
81.03455	6.8
83.01385	23.2
85.02956	69.0
85.03468	3.9
86.00099	9.0
87.00876	53.5
89.02432	5.5
95.01391	13.1
97.02950	28.5
99.00347	1.4
99.00878	55.1
101.02446	79.2
101.50695	1.7
107.01398	2.9
111.00899	8.4
112.01659	4.2
113.02458	11.9
116.93076	1.8
117.01943	4.2
123.00888	7.6
125.02462	21.0
130.33533	1.7
132.92851	1.9
134.03777	2.1
140.01128	7.6
141.01952	21.8
142.02742	3.1
143.03514	1.9
155.03496	12.7
159.02948	4.2
161.04556	100.0
173.04581	2.2
175.06128	4.0
178.02705	2.5
191.05568	3.9
193.05397	2.5
193.07184	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	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21799	0.3
57.03448	0.9
59.01374	3.3
67.01895	1.4
69.03452	0.8
70.03545	0.4
70.03938	0.5
71.01381	2.1
72.99306	0.5
73.02946	1.1
81.03448	1.0
82.98692	0.3
83.05022	1.0
85.02946	25.8
86.03266	0.3
87.00870	7.6
93.03462	7.5
93.32973	0.3
94.23301	0.3
95.01394	0.5
99.00875	0.3
99.04504	0.8
101.02464	0.3
107.23521	0.2
108.05941	0.2
109.02940	2.1
111.00878	6.7
111.04512	2.0
113.02451	0.3
127.04015	5.2
155.03552	0.3
159.71870	0.2
165.86256	0.2
165.87880	0.2
171.03036	1.5
173.04556	2.1
175.63252	0.2
191.05605	100.0
192.05965	2.5
207.36830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03437	0.6
58.63367	0.3
59.01378	3.2
62.10156	0.3
67.01890	1.2
69.03471	0.6
69.74090	1.2
71.01371	2.1
73.02950	0.9
73.81174	0.3
81.03461	0.9
83.05012	1.0
85.02946	23.3
86.03279	0.3
87.00877	6.5
93.03456	7.6
95.01369	0.6
98.20528	0.4
99.04510	1.1
101.02436	0.5
105.00829	0.3
109.02958	2.3
110.75541	0.3
111.00884	4.7
111.04499	2.4
127.04002	5.1
137.02397	0.4
145.05000	0.3
153.01997	0.4
171.03008	1.2
173.04536	2.4
191.05605	100.0
192.05972	2.7
196.52583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.01868	1.2
57.03447	5.4
58.27517	0.2
59.01376	5.8
60.99310	0.3
65.45958	0.3
67.01880	0.8
68.99818	0.3
69.03456	0.8
71.01375	2.9
71.50263	0.5
72.35129	0.2
72.99310	0.5
73.02940	1.1
75.00901	0.3
81.03455	0.9
83.01376	0.9
83.05022	1.2
84.02159	1.0
85.02950	56.4
86.03291	0.7
87.00883	4.8
93.03455	8.1
96.02109	0.3
99.00871	0.5
99.04510	1.2
99.48647	0.3
101.02430	0.4
103.00347	0.4
108.02219	0.3
109.02950	2.5
111.00879	0.4
111.04520	2.3
113.02386	0.3
114.02124	0.3
125.02481	0.4
127.04005	5.0
137.02435	0.5
147.03000	0.8
149.94202	0.3
171.02986	0.8
173.04507	1.7
191.02097	3.3
191.05603	100.0
192.05934	2.5
203.83852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03447	5.4
58.27517	0.2
59.01376	5.8
60.99310	0.3
65.45958	0.3
67.01880	0.8
68.99818	0.3
69.03456	0.8
71.01375	2.9
71.50263	0.5
72.35129	0.2
72.99310	0.5
73.02940	1.1
75.00901	0.3
81.03455	0.9
83.01376	0.9
83.05022	1.2
84.02159	1.0
85.02950	56.4
86.03291	0.7
87.00883	4.8
93.03455	8.1
96.02109	0.3
99.00871	0.5
99.04510	1.2
99.48647	0.3
101.02430	0.4
103.00347	0.4
108.02219	0.3
109.02950	2.5
111.00879	0.4
111.04520	2.3
113.02386	0.3
114.02124	0.3
125.02481	0.4
127.04005	5.0
137.02435	0.5
147.03000	0.8
149.94202	0.3
171.02986	0.8
173.04507	1.7
191.02097	3.3
191.05603	100.0
192.05934	2.5
203.83852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0768
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
59.01370	3.2
60.40420	0.5
71.05011	5.3
71.08489	1.5
79.97845	0.5
99.08155	39.9
101.06074	1.1
118.06647	0.6
127.07649	39.2
128.08011	0.8
129.05577	100.0
130.05908	1.6
143.07155	1.4
144.04543	3.0
145.08708	5.6
171.06619	6.3
176.37048	0.5
189.07675	43.2
190.08044	0.9
202.38937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20196	0.2
55.01875	0.4
57.03453	6.0
59.01391	1.5
67.01565	0.4
67.01897	4.0
71.01370	0.5
71.04587	0.6
72.99316	8.4
73.02953	10.2
74.76333	0.3
83.01392	1.0
84.02161	0.4
85.02961	42.2
86.03289	0.8
87.00885	31.4
88.01208	0.4
93.03455	0.9
93.29694	0.2
99.00892	1.8
101.02452	1.6
103.04005	0.7
111.00893	100.0
112.01232	2.7
112.98754	0.2
117.01955	9.2
127.04052	0.3
129.01961	8.0
130.02307	0.3
130.99886	0.5
147.03055	0.8
154.99902	6.5
173.00923	8.1
191.02008	9.6
191.05626	9.7
192.05910	0.3
192.15576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.70852	0.4
57.03452	5.7
59.01403	0.6
67.01885	3.0
68.57924	0.4
70.26784	1.4
72.99314	4.1
73.02941	3.9
75.55286	0.5
82.18078	0.5
83.01383	0.6
85.02953	28.9
87.00877	37.3
97.35590	0.6
99.00916	1.1
101.02455	0.9
103.04020	0.6
111.00884	100.0
112.01211	2.6
112.98827	0.5
117.01933	3.9
127.65007	0.4
129.01936	6.3
130.99910	0.6
134.15915	0.5
147.03011	0.5
154.99886	3.3
173.00902	5.5
191.02010	11.6
191.05582	5.7
192.02267	0.6
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
50.64193	0.2
59.01384	0.4
71.01391	0.2
78.43484	0.2
87.92574	0.3
98.19834	0.4
99.08186	0.3
100.07713	0.3
102.03514	0.9
112.57328	0.2
116.05080	0.5
116.07191	0.4
117.03486	0.3
118.41557	0.2
126.10034	0.2
127.07652	0.3
129.04712	0.2
129.05591	0.8
141.86836	0.4
142.08737	0.2
144.04553	100.0
144.10342	0.5
145.03027	0.4
145.04893	2.4
159.03267	0.9
160.04007	0.4
170.88928	0.2
188.03505	3.8
188.07608	0.3
188.09203	1.8
189.01920	0.2
189.03914	0.2
189.05565	0.3
189.07611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0772
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
58.02966	0.9
59.01358	0.7
69.92513	1.1
69.92901	1.6
71.01362	0.9
72.99300	0.7
84.04546	19.1
87.56036	0.8
98.06130	0.8
98.20654	0.7
99.04510	2.3
100.04039	11.4
101.07247	0.7
114.05605	3.7
114.09332	0.7
115.05515	0.6
124.04045	1.7
124.07690	1.1
125.02466	6.4
125.09730	1.3
126.05612	1.1
130.43369	0.9
140.07193	1.4
142.05133	3.6
142.08742	13.7
142.09840	0.7
168.06668	1.3
186.07715	100.0
186.11293	2.2
187.06244	0.7
187.08020	2.0
196.21304	0.6
196.72592	0.8
204.36113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0613
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
57.03438	1.6
59.01380	5.1
63.07261	0.6
64.64464	0.6
69.03452	1.3
71.01386	2.7
71.05016	1.7
71.50906	1.0
72.99309	2.0
73.02954	1.3
81.03458	0.6
81.07108	1.8
83.01376	1.5
83.05038	2.1
83.92362	0.6
84.12182	0.6
90.97146	1.0
95.05033	3.6
97.06606	5.5
99.00882	3.5
99.04530	1.6
99.08160	2.3
101.06086	1.2
102.30274	0.6
112.04066	1.8
113.04382	2.7
113.06092	8.8
115.04024	1.5
115.05526	7.4
115.07632	1.3
117.03519	0.9
123.08181	1.1
125.02517	1.2
125.06087	58.9
125.09717	13.6
126.06402	1.8
127.00371	0.9
127.04027	5.0
127.86790	0.6
131.05040	0.9
139.04024	12.8
141.05557	2.0
141.86765	1.3
143.07141	100.0
144.07469	2.3
159.04515	1.8
168.88896	3.2
169.05064	98.2
170.05486	3.0
186.89981	0.8
187.04076	5.8
187.06128	41.7
187.07762	3.0
187.09612	7.5
188.06589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
62.02103	0.2
71.22749	0.4
75.83013	0.2
79.92835	0.2
83.10744	0.2
111.00900	0.4
119.92067	0.2
124.01641	0.2
143.29715	0.2
153.25705	0.2
168.00616	0.3
168.29599	0.2
183.02982	1.2
183.13896	100.0
184.14238	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.98133	0.2
59.01369	1.0
61.17304	0.3
67.01878	0.3
70.15841	1.1
71.01355	0.4
87.13425	0.2
97.06556	0.3
107.62392	0.2
111.00900	0.9
124.01670	0.8
124.45507	0.2
136.98775	0.3
138.06213	0.3
139.00337	0.6
140.01143	0.8
140.59532	0.3
165.01904	0.5
168.00694	1.3
183.00543	0.5
183.02989	6.1
183.13892	100.0
184.14226	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	185.0819
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
57.03447	1.9
59.01373	4.2
68.99821	1.1
69.03447	1.1
70.38529	2.9
71.01389	6.2
71.05039	1.0
77.64973	1.1
85.02966	1.9
85.06594	1.1
87.00879	100.0
88.01221	1.3
95.66319	1.0
97.02933	1.4
97.06583	4.0
113.02401	1.0
113.06083	1.7
123.08158	3.0
125.09750	1.5
139.07681	1.2
139.87254	1.5
141.04514	1.3
141.05588	15.4
141.09224	28.8
150.02724	1.0
185.04663	1.3
185.05995	1.3
185.06514	1.4
185.08214	15.1
185.11826	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	185.1183
Annotation	Epomediol
Peak:m/z	Relative Intensity
55.46297	1.0
57.03445	1.9
59.01378	41.9
61.98835	2.5
68.99815	1.4
69.03461	1.4
70.52908	1.6
70.53282	3.5
71.01377	4.2
71.05024	6.2
77.55742	1.2
78.35176	1.0
85.02936	2.1
85.06576	1.7
87.04513	1.9
89.72384	1.1
94.52338	1.0
95.01344	1.0
95.05027	1.3
97.02970	1.2
97.06582	2.8
98.19315	1.0
99.01991	1.3
101.25539	1.2
111.08138	2.1
112.98820	1.3
113.09747	1.1
115.04012	100.0
116.04353	1.8
125.02458	1.8
125.09743	1.9
139.11293	2.0
139.87289	4.8
140.89664	2.0
141.05533	2.6
141.07150	1.6
141.09216	6.3
141.12836	1.4
157.86237	1.4
167.10767	18.2
183.10239	2.5
185.00891	1.3
185.04642	2.5
185.06099	2.2
185.08261	3.1
185.11821	92.1
185.15408	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	183.0047
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
50.00330	0.3
51.78720	0.3
56.73905	0.3
59.01375	0.7
61.98833	0.6
64.01940	0.4
65.00329	0.4
65.99816	0.3
66.01073	0.3
67.01895	3.1
68.01383	0.5
68.99832	1.3
69.03464	1.3
71.01377	0.5
71.43656	0.5
72.99294	0.4
79.01899	0.7
81.03436	0.4
83.01391	0.5
83.05037	0.3
93.03497	0.4
95.01385	10.6
95.05024	0.4
95.48501	0.3
95.63117	0.3
97.02924	0.7
108.00874	0.3
109.01680	1.5
111.00895	1.7
112.00390	0.3
120.00900	0.5
121.17680	0.3
123.00886	24.2
124.01736	1.4
124.98763	0.5
125.01184	2.5
127.00338	0.4
136.98799	0.8
137.01154	0.8
137.02400	0.4
139.00356	1.2
139.01338	0.3
139.03937	0.4
139.11322	0.5
140.01152	1.2
140.07283	0.3
153.00674	20.4
154.00934	0.4
165.01955	0.4
168.00639	2.5
183.00465	100.0
183.02821	10.2
183.10248	1.2
183.13884	0.9
184.00804	2.2
184.06146	0.5
203.19952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.03633	0.5
58.63876	0.4
66.84428	0.4
71.05026	0.5
82.74919	0.4
83.01435	0.5
95.01382	1.2
97.18682	0.4
98.19850	0.7
111.00883	0.5
123.00880	1.6
124.01632	0.7
136.98860	0.5
139.00339	0.6
140.01236	0.6
150.91661	0.4
153.00630	1.1
168.00629	1.2
182.99062	0.4
183.00522	6.0
183.02959	4.6
183.13893	100.0
184.00810	0.4
184.14243	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	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.1
69.03442	0.4
71.01394	1.1
73.02950	0.4
79.05533	0.2
83.01421	0.3
85.02968	0.9
87.00884	4.1
89.02483	0.3
89.03974	0.6
91.05536	0.8
93.03435	0.2
97.02967	0.4
98.19855	0.4
99.00887	1.2
101.02456	0.5
106.04282	0.5
107.01405	0.7
107.05031	2.3
108.02177	0.3
113.02464	0.2
117.01940	0.7
117.03470	0.8
125.02458	0.6
133.03030	0.2
134.03758	8.9
135.04535	100.0
136.04860	3.0
141.01944	0.4
141.86122	0.2
146.50525	0.2
159.03023	0.3
161.04568	2.2
179.03517	14.1
179.05614	2.6
180.03941	0.3
181.76401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
59.01378	0.6
64.22966	0.3
66.03496	0.4
71.26420	0.7
71.27809	0.3
79.95750	0.7
80.05023	0.4
82.13578	0.4
85.61178	0.3
92.05068	4.5
94.02980	1.8
96.95998	0.6
102.02785	0.5
108.04564	51.9
109.04900	1.0
110.06116	0.6
112.05170	0.4
118.58036	0.3
120.04567	4.9
122.02499	1.3
123.03266	1.0
124.01634	0.3
131.95055	0.3
136.04079	1.1
138.05618	100.0
139.05959	2.5
152.03618	1.5
182.04588	21.9
183.03143	0.8
183.04929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.18803	0.3
55.01874	0.4
57.03448	0.3
59.01108	0.3
59.01382	3.6
59.53203	0.2
61.48527	0.2
69.03449	0.7
69.15731	1.6
69.16153	0.9
69.92966	0.2
71.01386	4.3
71.97453	0.3
72.99284	0.2
73.02962	1.5
75.00878	1.0
79.95752	0.3
80.96530	0.8
81.03452	0.3
83.01380	0.8
85.02941	3.4
87.00878	15.0
89.02442	1.3
89.03953	0.4
91.05520	0.7
93.03458	0.4
95.01376	0.6
97.02950	1.6
98.20649	0.6
99.00883	3.8
101.02445	1.9
107.05035	2.0
109.02941	0.5
113.02461	1.0
117.01940	2.7
117.03469	0.6
123.04483	0.4
125.02454	2.5
129.01968	0.5
134.03741	6.7
135.04529	100.0
136.04865	3.0
136.07693	0.5
137.02324	0.2
141.01933	1.7
145.68340	0.2
156.36488	0.2
159.03017	0.8
161.01027	0.2
161.04559	8.7
162.04912	0.3
171.46178	0.2
177.04016	0.5
179.03511	15.3
179.05618	10.4
179.07167	0.6
180.03889	0.4
180.06529	0.2
188.09940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
59.01373	0.8
61.51604	0.2
69.85001	0.8
71.01376	0.6
73.02945	0.2
73.20773	0.2
79.05536	0.2
85.02937	0.6
87.00870	2.7
89.03954	0.6
91.05519	0.6
93.03480	0.4
97.02951	0.3
99.00880	0.6
101.02434	0.4
106.04245	0.5
107.05020	2.3
109.02937	0.2
117.01942	0.5
117.03459	1.0
120.55044	0.2
125.02422	0.3
134.03743	7.6
135.04523	100.0
136.04851	2.7
141.01953	0.2
152.19705	0.2
161.04588	1.4
179.03500	13.8
179.05598	1.4
180.03860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.41923	0.2
54.37555	0.2
63.03402	0.2
69.43322	1.2
70.19822	0.2
71.01385	0.2
83.52839	0.2
87.00852	0.4
87.26319	0.2
87.61509	0.2
89.03993	0.3
91.05560	0.6
93.03439	0.2
106.04266	0.4
107.05038	2.0
108.02182	0.2
117.03470	0.6
134.03752	8.1
135.04527	100.0
136.04851	2.8
161.04541	0.4
179.03502	15.6
180.03816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98826	1.3
65.18922	0.2
66.42893	0.2
68.19263	0.2
69.21426	1.8
70.41877	0.2
71.01382	0.6
73.02955	0.2
75.67503	0.2
78.95925	0.5
79.95744	0.3
83.01412	0.2
85.02967	0.5
87.00875	2.2
99.00899	0.6
117.01955	0.5
119.93762	0.9
122.66160	0.2
134.96091	51.2
135.96152	2.4
136.94008	100.0
137.94086	4.5
151.92714	16.9
152.92857	1.0
161.04594	1.5
163.77110	0.2
178.95058	63.0
179.05627	1.4
179.95157	3.3
181.42517	0.3
196.96120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
50.92699	0.4
55.01849	0.4
57.03432	0.4
59.01385	1.8
69.03448	0.4
71.01382	2.1
71.19885	0.4
73.02945	7.6
81.59656	0.4
85.02956	0.9
85.06589	42.0
86.06937	0.7
86.60370	0.4
87.00878	4.0
93.03442	0.8
101.02443	100.0
102.02785	1.6
113.06087	20.7
115.00376	4.2
120.33515	0.4
128.13399	0.3
129.05589	2.5
131.07158	2.3
135.04543	2.2
147.39308	0.4
157.05052	1.6
174.89001	0.7
175.02675	0.6
175.06117	29.3
176.06503	0.7
190.92448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
53.27954	0.3
57.03437	0.5
59.01373	1.6
59.30742	0.3
61.99537	0.3
63.30227	0.3
69.03459	0.4
70.93830	0.4
70.94157	0.6
71.01384	1.2
85.02981	0.4
85.06590	20.1
87.00878	100.0
87.04515	5.7
87.33186	0.3
88.01225	0.9
89.15950	0.2
98.48246	0.2
101.02403	0.3
113.06094	15.0
115.00378	2.8
129.05603	1.4
131.07146	1.2
135.04550	0.5
138.19264	0.3
157.05046	1.7
173.24699	0.3
174.88986	0.5
175.06120	24.4
176.06396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
50.31240	0.3
55.01875	0.6
57.03446	0.5
59.01384	3.6
69.03454	0.8
70.93834	0.5
70.94178	0.4
71.01389	3.0
72.99302	0.5
73.02940	0.7
83.01409	0.6
85.02979	1.0
85.06592	20.6
86.06969	0.4
87.00879	100.0
87.04514	6.4
88.01225	0.8
91.82870	0.3
93.03489	0.4
97.02950	0.4
99.00860	0.4
101.02441	2.7
111.04535	0.5
113.06087	17.0
114.06393	0.4
115.00381	5.8
115.04056	1.5
125.02330	0.3
129.05582	1.5
130.48915	0.3
131.03490	0.6
131.07140	1.5
135.04533	1.1
137.62946	0.3
157.05070	1.9
167.51395	0.3
174.88954	0.6
175.02750	1.6
175.06119	26.6
178.63737	0.3
179.03490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
54.61012	0.3
55.01892	0.6
57.03449	1.2
59.01382	3.3
67.01871	0.4
69.03456	0.4
70.86131	0.7
71.01382	4.5
72.99307	0.6
73.02946	7.9
83.01373	0.7
85.02954	1.7
85.06592	42.5
86.06932	0.9
87.00341	0.6
87.00873	10.1
93.03457	1.9
97.02937	0.4
99.00917	0.4
101.02444	100.0
102.02776	1.5
111.04514	0.4
112.98798	0.5
113.06091	23.4
114.06468	0.5
115.00373	9.4
115.04045	0.7
118.11778	0.3
129.05579	2.3
131.07144	2.2
135.04550	2.4
157.05086	1.6
163.62152	0.4
174.88982	1.2
175.02716	1.8
175.06117	31.5
176.06488	0.5
179.03485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03456	1.1
58.00586	1.1
59.01384	28.4
60.96825	0.7
68.05276	0.7
69.29601	5.7
69.29999	1.8
71.01387	40.9
72.29365	0.7
72.99301	4.4
73.02953	3.4
83.01390	2.1
85.02956	3.6
85.06538	0.9
87.00882	93.8
88.23752	0.8
99.00919	1.1
112.98780	3.6
113.02464	2.0
113.06102	1.3
115.00382	100.0
115.04013	2.3
116.00690	1.7
117.29018	0.9
127.00414	1.6
145.01025	0.8
174.88870	1.0
175.02516	23.0
175.03964	0.9
175.06099	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	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01882	0.5
57.03436	1.5
58.00581	1.1
59.01380	27.6
67.01888	1.2
69.03467	0.8
71.01382	42.9
71.43439	0.9
72.01720	0.7
72.99310	3.8
73.02940	4.3
83.01365	2.0
85.02953	4.3
85.06598	1.7
87.00877	100.0
88.01202	0.7
93.03415	0.5
95.05010	0.9
99.00903	1.4
101.02448	1.0
101.20876	0.4
112.98802	2.4
113.02481	1.0
113.06113	1.9
115.00375	99.1
115.04005	3.7
116.00719	1.9
127.00391	0.9
131.03485	0.7
131.05035	0.5
157.05077	0.7
174.88972	2.2
175.02484	21.1
175.03891	1.1
175.06096	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	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
53.74583	0.7
55.01880	1.1
57.03444	1.2
58.00585	1.5
59.01382	30.7
65.85248	0.5
67.01884	1.4
70.93079	1.3
71.01386	41.1
72.99316	4.0
73.02943	4.0
83.01387	2.6
85.02953	6.4
85.06600	1.4
87.00880	100.0
88.01218	1.2
99.00891	1.8
101.02476	0.6
112.98830	3.7
113.02470	1.0
113.06105	1.8
115.00381	91.1
115.04016	5.5
116.00710	1.0
127.00349	0.9
131.03517	1.1
131.11923	0.5
142.11308	0.5
174.86203	0.8
174.88943	0.7
175.02502	19.5
175.06232	3.5
176.02954	0.7
178.00368	0.6
194.64197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01859	0.7
57.03437	1.7
58.00581	0.9
59.01377	28.9
67.01884	1.2
69.03465	0.7
70.91605	0.9
70.91944	0.6
71.01380	39.0
72.24348	0.5
72.99299	6.4
73.02945	4.7
83.01389	1.6
85.02949	4.6
87.00873	100.0
88.01228	0.9
95.01392	0.6
96.99310	0.8
98.01854	0.4
99.00877	2.1
101.02423	1.5
103.00376	0.5
111.00896	1.0
112.98822	2.5
113.02450	3.4
115.00372	96.2
116.00677	1.5
127.00402	1.1
129.01926	0.6
131.03490	0.8
175.02470	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	173.0455
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
57.03446	3.1
58.00599	0.5
59.01378	5.6
60.99305	1.9
67.01894	19.5
69.03464	4.2
69.74773	1.9
69.75179	0.8
71.01385	11.3
72.99327	0.9
73.02962	0.7
81.03457	3.2
83.01410	0.6
83.05040	2.3
85.02953	2.1
87.00880	0.8
93.03463	89.7
94.03805	2.7
96.02191	0.6
99.04510	0.8
109.02945	3.6
111.00900	1.6
111.04525	10.8
112.04808	0.6
113.02480	0.9
115.26711	0.4
117.53758	0.5
127.03961	1.1
129.01961	0.5
137.02460	1.6
137.96390	0.4
139.76695	0.4
141.40285	0.4
155.03557	2.4
162.39209	0.5
173.04550	100.0
174.04880	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	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.0
58.00611	0.5
59.01381	4.6
60.99304	2.0
62.57813	0.5
64.53389	0.5
67.01894	21.6
67.79328	0.5
69.03444	4.9
69.86021	2.4
69.86297	0.6
71.01387	10.8
73.02917	0.7
81.03468	3.0
83.01392	0.6
83.05045	3.1
85.02953	2.1
85.50600	0.5
86.92844	0.5
93.03462	91.8
94.03801	2.0
99.00883	0.6
99.04503	0.7
109.02962	3.9
111.00893	2.3
111.04529	11.6
113.02436	0.8
127.04033	1.1
131.09169	0.6
137.02431	2.2
155.02217	0.4
155.03511	2.2
168.46709	0.5
173.04555	100.0
174.04915	1.9
184.64662	0.5
193.02527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
54.68770	0.4
57.03450	3.2
59.01381	5.0
60.99300	1.9
61.41628	0.4
65.96914	0.5
67.01890	19.1
69.03458	3.9
69.20815	4.0
69.45023	0.5
71.01383	9.7
72.99300	0.5
81.03466	3.6
83.05014	3.4
85.02939	2.4
93.03458	90.6
94.03806	1.4
99.00887	0.7
99.04509	0.9
109.02958	2.7
111.00894	1.0
111.03732	0.7
111.04517	12.0
113.02415	0.8
127.03997	1.4
137.02399	1.5
155.03523	1.9
173.04544	100.0
174.04893	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	173.0456
Annotation	Shikimate
Peak:m/z	Relative Intensity
54.32580	0.6
57.03452	4.4
59.01382	7.2
60.99305	2.8
61.11075	0.7
61.14660	0.6
66.79150	0.6
67.01894	22.9
69.03452	4.0
69.86194	1.3
69.86606	2.3
71.01387	11.3
71.05026	0.7
72.99315	1.6
73.02946	2.3
78.46858	0.7
81.03461	2.8
83.01405	1.0
83.05032	4.4
85.02952	5.8
85.06594	56.2
86.06894	1.0
86.90996	0.7
87.00884	3.1
93.03463	96.2
94.03801	3.0
95.01431	1.9
97.02993	0.9
99.00895	2.7
99.04536	1.8
109.02971	3.2
111.00900	17.3
111.04523	23.3
112.98884	0.7
113.02486	1.0
127.04050	0.9
129.01962	1.8
129.05583	2.1
131.07339	0.8
131.08264	4.4
137.02437	2.1
142.99883	1.4
154.99863	0.7
155.03502	14.6
173.04553	100.0
174.04868	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	173.0091
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
53.00278	0.5
57.01997	0.5
57.03441	1.6
59.01380	0.5
67.01890	8.5
70.70975	1.1
71.01382	3.9
72.99317	3.8
83.01385	4.7
85.02952	25.7
87.00908	0.5
93.03461	2.0
96.99322	0.7
99.00880	2.7
101.02451	2.2
108.19729	0.4
111.00883	100.0
111.04504	0.9
111.08133	0.4
112.01199	2.4
112.98801	3.8
119.63410	0.4
124.98807	1.8
129.01949	3.5
131.08252	0.5
142.99861	10.2
154.99860	8.4
156.71834	0.4
173.00917	4.0
173.04552	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	173.0091
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01877	0.6
57.03453	5.7
57.55151	0.6
58.02970	1.8
59.01373	0.7
67.01893	10.3
68.99817	1.1
70.87879	1.0
71.01387	4.9
72.99325	0.7
73.02953	1.2
83.01395	2.0
83.05034	0.9
84.04543	1.5
85.02954	51.1
85.06568	0.6
86.03290	0.7
86.06116	4.3
87.00862	1.3
88.04041	0.6
93.03457	3.3
99.00892	2.1
100.07684	1.3
101.02493	0.9
110.33698	0.4
111.00887	100.0
111.04510	2.1
112.01210	1.8
112.04037	1.7
112.98799	2.6
113.04421	1.4
117.01946	1.0
124.98821	1.8
128.07166	2.0
129.01956	8.0
129.05589	0.8
130.05113	6.0
132.06665	0.5
142.99873	9.3
154.99849	2.1
155.03537	0.7
173.00888	1.2
173.04590	3.6
173.06473	2.0
174.07718	1.8
178.13594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
57.30736	0.3
58.02966	2.2
59.01384	0.7
60.99315	0.5
67.01888	4.4
69.03464	0.9
71.00151	0.6
71.01383	2.1
77.02555	0.3
78.44166	0.3
81.03484	0.4
83.05033	0.7
83.21798	0.3
85.02968	0.5
93.03455	18.8
109.02944	0.3
111.00854	0.6
111.04514	1.9
128.10818	6.1
129.22876	0.3
130.08736	100.0
131.09100	1.7
137.02434	0.4
144.04572	1.2
155.03452	0.5
169.11530	0.3
172.09781	14.2
173.04541	13.2
173.10115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	100.0
58.71381	0.2
59.03308	0.5
59.26155	0.3
61.98839	0.8
68.99832	0.4
69.03452	0.5
70.02982	0.7
70.05381	0.6
70.05768	0.6
72.04555	0.3
81.03491	0.5
83.49839	0.3
97.02979	0.5
122.89423	2.1
124.98787	0.3
125.02447	6.2
132.86848	0.4
151.11348	0.7
153.01614	0.6
153.99127	0.4
168.13924	7.3
168.15216	0.4
168.83614	0.5
168.99089	0.3
169.01425	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	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03456	0.5
57.30736	0.3
58.02966	2.2
59.01384	0.7
60.99315	0.5
67.01888	4.4
69.03464	0.9
71.00151	0.6
71.01383	2.1
77.02555	0.3
78.44166	0.3
81.03484	0.4
83.05033	0.7
83.21798	0.3
85.02968	0.5
93.03455	18.8
109.02944	0.3
111.00854	0.6
111.04514	1.9
128.10818	6.1
129.22876	0.3
130.08736	100.0
131.09100	1.7
137.02434	0.4
144.04572	1.2
155.03452	0.5
169.11530	0.3
172.09781	14.2
173.04541	13.2
173.10115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0666
Annotation	(-)Arterenol
Peak:m/z	Relative Intensity
55.01886	1.0
56.48210	0.7
66.03487	2.7
68.01425	1.1
68.05046	1.5
68.99828	1.6
69.03456	28.2
70.02956	1.0
70.41442	0.7
70.41779	2.2
71.01387	2.7
78.03484	1.2
78.95895	1.6
79.95734	0.6
80.05051	0.7
80.96510	1.2
81.02203	0.8
81.03461	0.8
83.01369	1.1
83.05017	1.1
83.06153	1.5
84.04556	1.3
92.05051	2.3
94.02975	1.8
94.06630	0.8
95.01405	1.8
96.04552	100.0
97.02943	2.3
97.06623	0.8
98.02449	1.1
104.05128	0.9
106.06628	3.1
107.05035	0.9
108.02234	0.9
108.04545	2.2
109.02507	2.1
110.00090	0.8
110.06184	0.8
111.00896	1.0
120.04549	1.1
122.06141	7.1
123.00851	1.7
123.04499	1.2
124.01684	1.1
124.03999	1.8
124.04851	2.3
124.07681	56.4
125.02451	23.5
125.06092	1.8
125.08036	1.1
125.99597	1.4
138.05534	1.2
139.00385	1.5
144.50528	0.7
150.05621	1.1
150.97012	1.6
151.00391	1.5
152.01224	0.9
153.01566	5.4
153.99095	2.5
166.05040	0.9
168.04135	1.9
168.06654	25.1
168.98126	1.0
169.01427	9.0
169.07227	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	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
70.86198	1.0
80.02683	1.6
80.05049	0.5
81.03455	0.7
85.62473	0.3
85.63053	0.3
88.36201	0.4
91.01898	0.8
91.63768	0.3
93.03460	0.4
95.01392	1.0
95.05051	0.5
96.04557	0.5
108.02174	54.3
109.02444	0.8
121.02977	0.6
122.03743	0.5
123.00907	0.8
123.04532	16.5
124.01649	0.4
125.02458	0.5
138.55461	0.4
152.01152	100.0
153.01497	3.2
167.03485	18.9
167.07240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1078
Annotation	(S)-6-Hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
59.01380	100.0
61.98840	3.2
65.03952	1.9
67.01891	2.8
68.99818	3.8
69.03465	3.4
70.64377	5.1
71.01372	2.3
72.25418	1.6
80.96531	3.0
81.03458	1.8
82.45234	1.5
82.95438	1.9
83.01386	3.5
83.88379	1.6
91.01882	4.8
91.77351	1.7
92.99790	1.8
93.03477	3.1
95.01389	12.9
95.05026	6.6
97.02954	3.5
108.02174	34.2
108.04538	2.0
109.03012	3.2
111.00877	7.2
120.89912	2.1
121.02960	3.5
122.89410	2.1
122.94325	2.0
123.00867	11.3
123.03626	3.9
123.04527	47.4
123.05519	2.8
123.08094	3.4
124.01615	4.1
124.04871	2.6
125.02435	8.1
132.86801	4.3
139.00359	5.6
139.03970	4.1
149.02513	2.8
149.09711	6.9
151.00453	2.6
151.01794	1.6
152.01154	72.0
153.01509	2.6
161.56462	1.6
166.83334	4.7
166.93324	3.0
166.99849	6.0
167.03496	53.4
167.06096	5.7
167.07256	4.5
167.10777	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	Orthoform
Peak:m/z	Relative Intensity
61.98817	0.3
66.03495	0.6
71.51420	0.2
74.07869	0.2
80.05051	0.4
86.42719	0.2
93.03452	1.2
93.99323	0.3
94.02962	0.3
95.01397	0.8
97.02996	0.4
108.02168	2.0
108.04545	0.7
109.02979	0.3
111.00822	0.2
120.89899	0.5
121.02959	12.1
122.02482	0.4
122.03276	3.4
122.06121	0.5
123.00876	0.8
123.04520	2.1
124.03999	0.4
125.02423	0.4
133.47421	0.2
136.05302	10.0
137.05652	0.5
138.05609	1.1
139.62102	0.2
151.02745	21.8
152.01151	3.3
152.03120	0.7
165.83595	0.3
166.05090	100.0
166.83353	1.4
167.03487	2.4
167.05437	3.6
175.98654	0.2
183.01714	11.1
184.02054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03451	21.8
59.01383	4.1
61.98837	0.8
65.00327	1.6
65.04022	0.5
66.03478	0.6
67.01872	0.7
69.03465	1.6
69.72569	3.4
71.01382	1.5
71.05021	2.1
72.99321	1.4
75.00866	2.8
77.03970	4.1
81.03460	2.2
82.02969	0.6
83.05029	6.2
87.00887	8.5
92.99837	2.1
93.03458	8.4
94.03725	0.6
95.01386	1.0
95.05025	1.6
97.06580	3.0
98.19908	1.2
101.02454	0.9
105.01940	5.7
107.05048	1.5
109.02971	2.5
109.06562	3.9
111.08163	39.5
112.08484	0.7
118.77164	0.6
119.05030	2.3
121.02961	100.0
121.06591	2.0
122.03319	3.5
122.06111	0.8
123.00901	1.0
123.04512	1.5
129.89740	0.5
137.02444	5.7
137.06076	1.1
138.02827	0.7
138.05614	0.9
139.04082	0.6
147.04503	2.8
147.11870	0.8
149.00925	3.7
150.03236	6.8
151.00444	0.8
163.11314	2.1
163.99725	0.6
164.83594	6.9
164.89609	2.7
165.01929	13.9
165.04073	5.5
165.05579	8.1
165.12849	66.3
166.01294	0.6
166.05081	2.0
166.13206	2.0
168.58803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
59.01384	3.3
61.98821	1.7
65.00324	0.9
65.03936	0.4
66.03496	1.0
69.03444	1.2
71.01390	1.5
71.05499	0.6
71.05812	0.7
72.99306	1.4
73.02985	0.6
74.99089	0.7
75.00872	2.7
77.03971	5.9
80.02699	1.0
81.03455	2.7
83.05032	3.2
87.00877	7.2
89.02470	0.5
92.99832	3.0
93.03460	7.4
94.03024	0.5
95.05051	2.7
97.06605	4.9
101.02426	0.8
105.01945	5.7
107.05035	0.5
108.04526	0.6
109.02963	1.8
109.06596	1.3
111.08157	5.2
119.05016	2.9
120.04539	0.5
121.02959	100.0
121.06611	1.4
122.03201	3.8
122.06136	0.5
123.04545	1.3
123.08121	0.5
123.31853	0.4
136.04054	0.6
136.05289	0.8
137.02448	6.5
137.06055	0.7
138.05511	0.7
147.02963	0.5
147.04501	1.9
147.89424	0.4
149.00966	4.5
149.02191	0.7
150.03220	6.8
163.11307	2.1
164.83624	6.1
164.89621	3.2
165.01927	15.5
165.04077	4.7
165.05573	8.0
165.07678	0.6
165.09073	0.7
165.12849	12.3
166.01335	0.6
166.05089	1.7
166.13274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
57.03471	0.6
59.01376	6.6
61.98840	1.7
65.00328	0.9
67.01930	0.7
68.99835	2.4
71.01371	3.2
72.99320	1.9
75.00877	6.9
77.03960	4.7
81.03464	1.6
83.01442	0.7
87.00876	15.6
89.02463	0.7
92.99854	2.4
93.03455	10.7
93.07098	0.6
95.05065	1.0
97.06590	0.7
99.00887	1.2
99.04529	1.6
101.02439	1.0
105.01938	12.3
107.05038	2.9
108.02170	1.1
108.04552	1.2
109.02971	4.3
109.06588	1.7
113.06082	0.7
119.05000	3.1
121.02953	100.0
121.06586	4.1
122.03758	44.4
123.04594	7.5
125.06042	0.7
129.01884	0.8
135.04517	1.8
136.05296	83.9
137.02449	9.6
137.06119	16.8
138.05544	0.9
147.03055	1.0
147.04517	4.9
149.00948	3.7
150.03221	26.1
151.00368	0.7
151.04001	6.9
154.02699	0.8
164.04768	1.4
164.83600	20.4
164.89520	3.6
165.00529	1.2
165.01938	18.8
165.04071	8.9
165.05537	70.2
165.09174	1.9
165.12825	3.6
166.05957	1.8
182.64519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47495	0.2
51.88792	0.2
57.53339	0.2
59.01381	1.6
59.74853	0.2
59.96701	0.4
65.19460	0.2
68.99786	0.2
71.01352	0.7
71.09470	0.4
72.80950	0.3
72.99281	0.7
73.02906	0.3
74.99075	13.1
75.00880	2.9
75.99017	0.3
77.03964	1.5
87.00883	8.8
89.02433	0.3
91.02213	5.6
92.02164	0.2
93.00152	4.2
93.03459	2.2
95.01375	0.3
99.00863	0.8
101.02433	0.5
105.01286	0.3
105.01941	6.2
108.02126	0.3
109.02937	0.5
117.01926	0.3
119.05003	0.7
121.02965	22.9
121.06562	0.6
122.02471	0.3
122.03275	0.4
123.04511	0.6
129.01915	0.4
135.03024	0.3
135.04512	0.3
137.02443	1.7
137.06114	0.2
139.03966	0.2
147.03008	0.7
147.04533	0.8
149.00964	100.0
150.00922	4.3
150.03207	2.1
150.98891	0.6
160.21658	0.3
164.83583	1.4
164.89645	0.5
165.01996	3.9
165.04099	17.6
165.05550	2.5
165.09221	0.5
166.03966	0.4
166.05157	0.7
173.37010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
53.55761	0.3
59.01397	0.3
60.08328	0.3
64.30388	0.3
70.80211	0.8
75.00863	0.6
77.03967	2.5
85.22575	0.3
87.00879	2.5
90.46197	0.3
93.03474	1.8
105.01923	1.5
108.02200	0.4
121.02956	100.0
122.03294	3.0
137.02438	0.5
150.03166	0.4
159.78581	0.3
165.01930	7.5
165.04073	0.9
165.05453	0.5
168.33054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Arabinonate
Peak:m/z	Relative Intensity
53.19747	0.3
55.01885	0.5
57.03420	0.3
59.01379	7.5
68.99828	0.5
69.51669	1.3
69.52079	0.7
71.01385	6.6
71.64918	0.3
72.99305	4.7
73.02947	3.3
75.00872	12.0
77.52338	0.3
85.02940	0.5
87.00877	100.0
88.01214	1.5
89.02438	2.6
99.00881	11.5
101.02459	3.9
105.01935	79.1
106.02277	0.7
114.82712	0.3
115.00396	0.3
117.01933	2.6
119.03502	0.7
129.01955	0.6
135.03026	2.0
142.79451	0.3
147.02989	6.7
165.04042	45.6
166.04411	1.1
166.10033	0.3
183.42789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01396	0.6
71.01385	0.8
72.00910	40.9
72.99312	0.5
73.01240	0.6
75.00874	2.4
75.20814	0.5
77.03987	0.7
87.00886	7.5
87.24357	0.6
89.72121	0.6
91.05553	2.0
93.03466	2.4
103.05532	4.8
105.01940	5.1
118.06644	0.8
119.05035	3.9
120.04523	1.5
120.05350	10.0
121.02950	16.0
122.03666	0.6
129.82330	0.5
136.04001	0.5
137.02440	1.4
147.04520	100.0
148.04884	3.4
150.03186	1.1
164.00661	0.6
164.03456	1.3
164.07158	43.1
164.08165	2.1
164.89555	1.1
165.01924	2.8
165.04051	3.5
165.05568	1.5
165.07445	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	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01384	2.3
61.98830	2.4
69.77990	5.5
71.01384	2.7
80.42686	1.5
90.67454	1.2
101.02429	2.6
112.82690	1.3
114.63863	1.3
116.92119	2.9
118.99237	1.8
119.05032	44.4
163.00343	3.1
163.04004	2.0
163.06120	2.2
163.11295	100.0
164.11594	4.6
166.65488	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.25156	0.5
65.45616	0.4
66.68605	0.5
69.73689	3.0
69.74093	1.0
69.93392	0.6
72.00907	40.7
75.00908	0.7
87.00874	2.9
91.05533	3.1
93.97507	0.5
103.05539	7.1
105.01924	1.8
119.05026	2.3
120.05338	1.4
121.02966	2.4
147.04518	100.0
148.04887	3.3
164.07159	44.9
165.04044	1.4
165.07449	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	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09579	0.4
71.09924	0.3
93.03452	2.2
119.05032	100.0
120.05344	2.6
158.61800	0.2
163.00331	0.3
163.04015	6.6
163.06085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.71360	0.2
69.19887	2.1
69.20228	0.3
76.06844	0.2
93.03478	1.8
98.20752	0.3
99.31235	0.2
117.03472	0.4
119.05025	100.0
120.05352	3.1
163.04002	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	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
60.26394	0.3
60.49586	0.3
64.32111	0.3
70.81242	0.5
70.81563	0.5
81.46280	0.3
90.89034	0.3
91.05605	0.3
91.64291	0.3
92.90524	0.3
92.94759	0.3
93.03468	1.2
94.66294	0.3
119.05031	100.0
120.05356	2.9
133.57666	0.3
142.81479	0.3
163.04004	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	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.59982	0.2
60.63731	0.2
70.03438	0.4
70.03831	0.4
77.43430	0.2
91.05570	0.5
93.03432	0.9
119.05029	100.0
120.05360	3.7
120.06217	0.2
135.75307	0.2
136.48982	0.2
163.04019	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	163.0248
Annotation	2-Dehydro-D-xylonate
Peak:m/z	Relative Intensity
54.30873	0.3
55.89001	0.4
58.00596	3.7
59.01379	100.0
60.01717	0.9
64.34064	0.3
68.99820	4.4
70.86794	0.4
70.87113	0.7
71.01384	2.5
72.99308	77.7
73.02945	10.0
73.99695	0.4
75.00898	0.6
81.03456	0.8
83.01377	0.7
84.99313	5.7
85.02990	0.7
87.00877	14.7
87.04522	1.8
89.02441	1.8
99.04538	1.7
101.02442	24.3
102.02786	0.7
103.00374	31.7
103.03990	1.2
104.00659	0.4
112.98806	10.6
117.05587	0.7
119.03472	1.1
119.05045	2.9
130.99870	3.3
145.01427	34.2
145.05023	2.8
146.01718	0.5
156.19154	0.4
163.02502	4.4
163.04939	0.5
163.06123	7.2
183.43221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	2-Dehydro-3-deoxy-L-fuconate
Peak:m/z	Relative Intensity
53.79301	0.7
55.01879	2.3
57.03454	2.8
59.01381	11.8
64.28004	0.6
69.03456	2.4
70.63902	1.6
70.80154	0.6
71.01387	9.0
71.05019	28.4
72.99310	1.3
73.02946	16.6
75.00867	0.7
79.20795	0.6
81.03457	1.1
83.01403	3.8
85.02947	14.5
87.00878	100.0
88.01220	0.5
89.02437	1.7
95.01405	0.7
97.02975	3.8
98.49609	0.6
99.00895	2.6
99.04519	28.4
101.02438	3.0
107.01355	0.6
113.02422	0.8
115.04017	5.7
117.05599	2.6
125.02435	2.6
131.03494	2.3
143.03529	3.7
161.04556	42.4
162.04915	0.9
183.60619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	3-Oxoadipate
Peak:m/z	Relative Intensity
55.01868	3.4
57.03453	9.6
58.02974	14.7
59.01381	100.0
62.09649	0.8
69.03454	6.5
70.02985	1.2
71.01376	4.8
71.05024	8.7
71.50276	1.1
72.99307	4.1
73.02932	2.4
74.02463	8.3
83.01379	2.3
83.69958	0.8
84.04546	11.6
85.02955	8.6
86.06125	4.1
87.00877	3.6
87.04515	11.8
87.06428	4.5
88.04039	46.0
92.21281	0.8
93.27898	0.8
97.02950	24.0
97.35081	1.0
98.02463	2.2
98.06109	4.9
99.00877	6.4
100.01674	1.3
101.02419	1.5
111.00847	2.0
112.04032	2.9
113.02441	4.7
113.04381	5.7
114.05589	3.1
114.94882	1.0
115.04018	36.6
116.03564	1.6
118.05091	4.9
129.01924	2.0
130.05098	10.2
131.03479	1.4
131.51724	0.9
141.01933	9.2
142.05124	1.1
157.69185	0.9
159.02982	21.6
159.04994	2.2
160.06143	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	158.1188
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
54.07049	0.9
55.01871	1.3
57.03442	3.5
59.01381	2.8
69.03448	2.3
69.54220	5.9
71.01387	6.0
72.99301	1.8
73.02951	5.7
77.61871	0.8
81.02296	0.8
81.82758	0.7
83.01398	1.3
84.04570	0.8
85.02950	4.1
86.06120	1.3
87.00868	3.3
87.04523	1.0
95.05045	0.9
97.02954	3.2
97.06571	1.0
98.19959	1.8
99.00878	5.1
101.02435	2.5
111.00867	4.2
112.04080	1.6
113.02495	2.6
114.05604	1.0
115.04000	2.5
116.06105	0.9
128.05080	1.1
129.01923	2.6
136.32620	0.8
141.01909	1.5
158.04634	1.4
158.08231	2.3
158.11874	100.0
158.89368	1.7
159.02954	5.8
159.06630	3.3
159.12190	3.7
166.43930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.046
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
54.83935	0.2
55.01874	0.7
56.01390	0.7
57.03446	3.9
57.91954	0.2
58.02971	0.7
59.01380	11.4
59.55253	0.2
59.87761	0.2
69.03449	1.0
70.71466	0.4
71.01377	0.7
71.05019	0.7
72.00917	0.3
72.99301	0.5
79.60724	0.2
80.96491	0.2
82.02985	1.8
83.01390	1.3
84.01771	0.2
84.04548	10.6
85.02949	1.4
85.04876	0.2
86.06116	93.4
87.00880	0.5
87.04527	1.0
87.06457	1.8
96.04562	0.7
97.02950	3.4
99.00881	0.7
100.01704	0.4
100.04057	0.2
111.00890	0.3
112.04049	100.0
113.02458	0.6
113.03669	0.3
113.04375	1.9
114.05608	18.7
115.04014	4.1
115.05973	0.4
126.01997	0.6
129.01959	0.3
130.05099	0.3
140.03546	0.4
141.01947	0.9
151.92195	0.2
158.04590	17.9
158.08223	0.5
159.03004	2.0
159.04919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
52.86629	0.3
57.03454	0.4
58.02978	1.6
59.01379	0.6
69.31857	1.6
69.32272	1.2
71.01390	0.8
73.02946	1.6
83.01417	0.3
85.02948	0.5
87.00890	0.5
99.00909	1.0
101.02476	0.8
111.00886	0.7
113.02441	0.5
114.09250	5.5
114.95677	0.3
116.07178	100.0
117.07518	1.8
129.01949	0.8
149.22862	0.3
157.66922	0.3
158.06195	0.5
158.08220	12.9
158.11847	0.6
159.02971	1.1
159.04417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0871
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
51.75145	1.4
53.60662	1.3
54.73892	1.4
57.03432	6.4
58.19462	1.3
59.01381	43.4
60.21999	1.4
67.01907	1.5
67.05529	6.7
68.99816	7.0
69.03463	11.9
70.92653	1.4
71.01384	19.2
71.04618	2.4
71.05017	5.5
73.02898	1.4
73.24580	1.6
81.03471	2.8
83.01389	3.8
83.05034	2.8
84.99311	6.3
85.02955	7.5
86.70927	1.4
87.00872	5.2
93.07088	3.3
95.01432	2.1
95.05025	4.2
97.02950	5.0
97.06593	3.7
99.00896	7.7
111.00887	2.3
111.04536	2.0
111.08183	6.8
113.02471	1.5
113.06091	45.1
113.09741	2.6
114.05602	1.6
115.00354	3.8
115.05933	3.2
116.07184	6.1
116.62880	1.6
125.02451	3.3
126.46346	1.4
127.00376	54.9
128.05061	5.8
130.06630	5.4
130.36824	1.5
139.00357	2.8
139.07645	18.5
141.99089	4.6
142.02715	4.9
156.89459	12.1
156.96968	1.5
157.01448	7.5
157.05054	6.0
157.08702	100.0
157.12335	15.0
158.03572	2.3
158.06133	11.2
158.09131	2.9
158.11812	2.4
172.04074	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	157.0771
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.01867	0.5
55.03972	0.2
57.03445	1.1
59.01375	0.5
67.01888	0.3
68.99825	0.8
69.03461	2.9
71.01389	1.4
71.50599	0.3
72.99318	0.4
76.40264	0.2
78.60655	0.2
81.03467	0.6
83.01394	0.9
83.05019	0.4
84.99307	0.4
85.02962	1.4
86.06116	1.5
87.00896	0.6
95.01405	0.8
95.05050	0.5
96.12179	0.2
96.63691	0.3
97.02963	1.4
99.00883	1.2
102.64825	0.2
111.00893	0.9
112.04048	1.5
113.02448	0.6
113.06086	0.8
114.05610	1.0
115.05947	1.3
116.05044	0.4
125.02458	0.9
127.00379	4.5
127.57035	0.3
128.05043	1.5
130.06638	4.9
139.00340	0.7
141.04610	0.9
141.99080	0.8
142.02736	2.0
152.35385	0.3
155.06143	0.3
156.06912	0.4
156.89510	0.8
157.01430	1.1
157.07718	100.0
157.12328	1.1
158.04622	0.4
158.06073	0.4
158.08119	4.1
158.11841	1.5
172.04108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03437	2.2
59.01381	1.9
64.73840	0.6
68.99818	1.7
69.03455	2.6
71.01372	3.9
81.03477	1.1
83.01378	1.3
83.05030	1.4
83.19235	0.7
84.99319	2.8
85.02954	2.8
85.06580	1.2
87.00875	2.6
87.57930	0.6
95.01385	1.3
95.05009	1.1
97.02938	1.6
98.19845	1.6
99.00880	2.7
111.00864	1.5
111.08140	0.8
113.06090	100.0
114.06423	2.0
115.00375	1.5
115.05946	1.4
116.07114	1.0
120.24600	0.7
125.02460	1.0
127.00376	19.5
128.00699	0.8
128.05072	1.6
130.06645	2.2
139.00333	1.2
139.07642	1.0
141.99080	1.4
142.02736	2.6
149.07150	0.7
156.89474	5.1
157.01468	3.9
157.05074	9.4
157.08681	3.7
157.12328	6.1
158.03613	0.8
158.06093	1.8
158.08156	0.9
158.11800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
69.03423	1.9
71.05041	3.9
80.96478	1.5
81.03470	2.4
87.54898	1.4
91.67918	1.3
97.06586	34.9
98.02509	1.4
99.08154	12.2
108.02184	8.0
109.02949	83.9
109.06567	1.7
110.00096	3.7
110.03290	5.0
125.02470	1.8
137.09731	3.8
137.99588	8.7
151.11273	3.5
153.01950	15.6
153.12851	100.0
153.86877	24.1
154.13194	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	155.108
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01878	6.9
67.01883	3.8
69.16967	10.3
71.01379	2.0
81.03455	1.7
83.01377	6.1
83.05045	1.9
85.02993	1.4
92.97717	0.9
93.03462	5.0
95.01392	3.6
97.02982	1.8
98.19878	1.9
99.00844	1.3
109.02983	1.8
111.00886	2.6
111.04530	3.3
111.08167	1.4
112.01710	2.0
114.05624	11.3
123.00916	2.8
127.00391	5.2
137.02415	1.8
139.97562	1.2
140.01172	17.2
140.94331	0.9
154.99869	3.8
155.03496	4.0
155.10786	100.0
155.86566	4.8
156.06673	2.4
156.11163	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	149.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82949	0.4
57.52854	0.4
57.88394	0.4
58.00589	0.9
59.01380	28.7
60.01718	0.6
70.57538	1.2
71.46037	0.4
72.99309	91.5
73.99662	1.0
75.00877	3.7
76.96014	0.4
87.00875	100.0
88.01208	2.3
89.02426	0.7
98.89342	0.4
103.00369	13.0
105.01931	7.7
130.99879	3.2
149.00914	53.6
150.01230	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
65.00322	0.5
66.03477	0.9
68.99830	0.3
75.89017	0.2
81.03452	1.2
82.77487	0.2
83.01418	0.2
88.64744	0.2
95.01389	0.2
97.02953	0.2
108.02179	3.7
108.04557	0.9
109.02953	34.5
110.00089	1.4
121.02954	0.9
122.03741	42.1
123.04024	1.3
124.04076	0.3
124.04906	0.3
125.02438	0.9
127.33605	0.2
135.04521	0.3
137.01993	0.4
137.99602	2.2
152.03532	100.0
153.01950	6.7
153.03844	3.2
153.05603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52435	0.5
52.18035	0.4
54.04062	0.4
54.73598	0.4
55.82841	0.5
65.03968	1.1
66.03497	2.8
66.03793	0.4
66.63181	0.4
67.01897	0.7
68.99804	0.5
69.76365	0.5
71.52270	0.4
72.99299	0.4
73.15173	0.4
80.05067	1.2
81.03465	2.1
91.01891	1.0
94.06625	2.2
95.03748	1.5
96.00912	1.2
96.08199	3.7
97.01697	3.2
97.02947	0.5
98.06114	0.9
108.02178	8.4
108.04565	2.8
109.02953	100.0
109.05328	4.5
110.00108	3.4
110.02484	0.7
117.09859	0.5
122.03740	0.5
123.03275	1.5
123.04522	0.6
124.04878	0.8
124.06767	1.2
124.07683	24.4
125.02441	2.7
125.08037	1.2
134.06134	0.5
135.00914	0.6
135.19073	0.5
137.01990	1.3
137.04823	18.6
137.99594	7.6
138.03239	0.7
138.05618	0.6
139.02858	0.5
151.00327	0.6
152.01195	0.8
152.03349	2.4
152.07170	84.8
153.01945	20.4
153.02971	0.3
153.05603	1.1
153.07481	3.5
157.62317	0.6
169.03786	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	149.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30672	1.4
59.01379	25.6
70.85538	3.4
70.85890	1.9
72.99310	100.0
75.00867	3.5
87.00877	97.9
88.01246	2.5
103.00389	14.3
105.01936	8.3
130.99844	1.6
149.00928	49.2
149.02092	3.3
150.01260	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	149.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.0
59.01377	27.8
60.01707	0.4
70.42959	0.6
70.43309	0.9
72.99308	85.7
73.99651	1.3
75.00872	3.4
75.03293	0.4
77.48547	0.5
87.00876	100.0
88.01211	1.9
103.00369	14.9
105.01935	7.9
130.99841	3.1
149.00914	51.6
150.01215	1.3
161.61139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56554	1.0
57.86884	1.1
58.00587	1.5
59.01377	28.5
61.75833	1.1
64.62193	1.1
66.74650	1.1
68.52106	1.0
70.83097	1.2
70.83429	2.4
72.99306	78.7
73.99643	1.3
75.00867	1.9
87.00874	100.0
88.01218	1.9
89.02460	1.6
97.75646	1.3
98.20074	1.4
103.00369	11.8
105.01917	6.3
119.34873	1.1
130.99855	2.9
141.56848	1.1
149.00912	52.0
150.01230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0091
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
52.49609	0.3
58.00583	0.8
59.01379	27.3
59.69917	0.2
60.01715	0.4
70.63596	0.8
72.99306	90.7
73.99643	1.0
75.00874	3.2
81.49657	0.3
87.00875	100.0
88.01215	2.0
90.55432	0.2
98.20061	0.3
101.68262	0.3
102.13612	0.3
103.00370	12.7
105.01936	6.9
106.00191	0.3
115.23431	0.3
130.99864	3.2
149.00912	49.5
150.01221	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	145.0143
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
56.33788	3.0
57.03442	10.4
59.01376	4.7
59.98186	3.0
71.01382	5.1
71.23862	5.9
73.02947	7.6
83.01390	5.9
84.99306	5.5
87.00884	4.3
101.02443	72.6
102.05617	10.8
111.22382	3.2
115.00269	3.6
128.03540	7.2
137.70715	3.3
144.96474	100.0
145.01433	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	146.046
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
57.03455	0.6
59.01374	1.2
69.60157	2.8
69.60571	1.4
71.01379	5.6
74.02477	0.8
82.03010	0.6
84.45584	0.6
85.02954	2.6
98.20557	0.9
99.00896	2.4
100.04079	0.7
102.05611	100.0
103.05948	3.2
115.96533	0.6
128.03546	35.2
129.03844	0.9
146.04605	13.4
146.86702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33788	3.0
57.03442	10.4
59.01376	4.7
59.98186	3.0
71.01382	5.1
71.23862	5.9
73.02947	7.6
83.01390	5.9
84.99306	5.5
87.00884	4.3
101.02443	72.6
102.05617	10.8
111.22382	3.2
115.00269	3.6
128.03540	7.2
137.70715	3.3
144.96474	100.0
145.01433	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	144.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47478	0.4
58.02970	1.3
59.01382	0.5
69.03475	0.7
69.46442	3.7
69.72238	0.5
71.01376	1.5
80.99576	3.5
81.03458	2.9
83.05025	3.3
85.02931	0.5
87.00890	1.1
98.09760	1.0
98.20624	0.9
99.04508	2.1
100.04865	0.7
100.07668	1.3
101.02437	0.9
101.06095	5.4
102.05588	1.2
115.69105	0.4
116.92093	0.8
127.03974	0.5
127.05153	0.5
144.04590	3.5
144.06674	2.8
144.10297	23.1
144.96475	100.0
145.05052	2.4
145.10658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89236	0.5
58.02972	1.3
58.04974	0.5
71.01378	1.4
73.20267	0.5
80.99564	4.0
81.03448	2.7
83.05029	2.2
84.04568	0.7
87.00877	1.1
97.44329	0.5
98.09744	0.9
99.04530	1.8
99.92640	0.5
101.02467	0.7
101.06079	3.9
102.05611	1.4
144.02959	0.8
144.04593	4.1
144.05528	0.7
144.06670	3.4
144.10303	25.0
144.96477	100.0
145.04041	0.8
145.05040	2.7
145.10628	1.1
159.38951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	33.6
59.01376	9.2
68.99821	4.3
71.01382	41.8
80.99818	7.0
82.02976	8.8
87.00862	13.6
96.99300	23.5
112.98821	41.4
115.92061	5.9
124.98810	64.0
140.98296	12.0
142.99869	100.0
144.00201	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
64.48567	0.4
65.99837	0.5
69.44967	2.3
84.96552	0.4
96.34980	0.3
102.03498	1.1
115.98867	0.3
116.05059	0.9
117.03437	0.4
122.62027	0.3
144.04550	100.0
145.04900	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.99847	0.4
69.71789	1.7
80.01441	0.3
83.05023	0.5
84.05254	0.3
98.06132	0.4
100.07721	0.3
101.06074	0.8
102.03503	0.8
113.95815	0.3
116.05058	1.1
117.03461	0.7
126.03474	0.4
142.31569	0.3
144.04550	100.0
144.96483	3.5
145.03047	0.6
145.04898	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	142.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71581	0.7
53.00321	4.6
58.02977	15.3
59.01369	1.1
68.99817	1.3
69.03455	1.0
70.89598	2.5
71.01379	5.6
71.05032	2.0
80.99830	1.0
81.03465	1.1
87.00890	1.6
96.99326	2.7
98.06121	8.5
99.04523	1.5
99.92618	1.8
100.04049	100.0
101.04355	2.4
103.67664	0.9
112.98829	4.4
115.00430	0.9
115.92054	1.4
124.98805	6.9
125.02491	1.4
128.69730	0.8
140.98325	2.0
142.05084	6.0
142.99854	14.8
143.03494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	21.6
59.01384	5.4
68.99819	7.4
70.43744	2.2
71.01386	38.0
71.42561	4.6
72.99310	4.0
80.99811	5.2
87.00876	10.5
96.97237	2.4
96.99318	20.1
107.43143	2.4
110.16069	2.7
112.98808	37.2
115.00337	4.2
124.98801	47.6
140.98270	12.5
142.99860	100.0
144.00267	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	138.0562
Annotation	Antibiotic P 3355
Peak:m/z	Relative Intensity
50.99530	2.5
54.70641	2.6
55.01873	5.6
66.03505	5.9
67.01899	18.6
67.03027	7.3
68.99805	7.5
70.73325	7.4
79.95754	7.0
81.04579	2.7
83.01389	11.6
83.05082	2.5
87.49638	2.5
92.05065	18.2
93.03445	8.6
94.02986	34.6
94.03770	19.3
94.98070	4.6
95.01413	5.1
95.05033	4.2
96.96033	21.6
108.02142	12.6
108.04559	67.4
110.00117	7.5
110.02486	4.5
110.06091	3.2
111.00887	68.3
120.04576	18.9
122.02484	8.0
123.03295	20.4
124.01673	11.2
137.99634	6.8
138.01920	26.5
138.02908	12.5
138.05621	100.0
139.00383	36.3
139.04059	8.6
139.05949	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
67.19897	0.5
71.71191	0.5
77.27681	0.4
79.81303	0.5
91.29693	0.5
93.03482	0.5
94.02971	1.0
94.03819	1.0
95.01355	0.5
101.84982	0.4
108.02174	78.5
109.02503	3.4
111.00896	3.9
124.01678	0.5
137.89232	0.8
138.01973	100.0
139.00359	1.8
139.02339	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	138.0563
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
55.01872	3.2
65.00327	1.3
66.03518	1.4
67.01891	5.8
68.99821	2.8
71.01379	0.8
71.50790	1.8
73.89472	0.7
83.01389	3.7
83.05045	0.9
93.03473	3.4
94.02995	11.6
94.03806	7.9
94.06644	1.0
94.98128	1.0
95.01400	2.2
95.05048	2.3
96.04501	1.2
104.81391	0.7
108.02201	5.1
108.02806	1.0
108.04551	1.3
110.00125	3.1
110.02496	2.8
111.00887	31.4
111.04510	1.0
120.04569	1.0
122.02522	2.5
123.03277	70.6
124.01669	3.4
124.03633	2.1
136.00380	0.9
136.04050	0.9
137.99606	3.4
138.01932	12.8
138.02921	5.1
138.05621	100.0
139.00385	15.3
139.04005	3.6
139.05946	4.8
155.02296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98194	0.7
65.04527	0.7
74.26369	0.6
75.00864	1.3
89.03986	2.0
106.04259	1.1
107.05025	4.0
117.03438	2.0
134.03745	18.5
134.89500	1.3
135.04523	100.0
136.04834	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	136.0166
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
51.25850	1.6
53.15960	1.6
65.03967	2.4
66.02675	1.5
67.92360	1.6
69.82286	9.8
81.03478	3.8
85.71931	1.4
92.05076	7.8
93.03466	100.0
94.03000	2.4
94.03886	1.7
95.01402	13.2
96.01741	1.8
97.02898	1.7
108.02182	83.0
109.02956	6.2
113.88525	1.7
129.64767	1.6
133.34819	2.1
136.01677	67.6
136.04025	6.8
136.04935	13.3
136.07649	1.7
136.89156	1.8
137.02469	66.7
137.03535	3.2
145.67531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.54329	0.3
59.61930	0.3
65.03960	0.9
66.90860	0.4
69.32593	1.2
69.33016	1.5
69.58095	0.3
81.03456	3.7
91.01910	1.0
93.02864	0.7
93.03458	13.7
94.03788	0.4
96.77905	0.3
108.02175	6.3
109.02974	4.3
112.39407	0.4
118.46547	0.3
119.01417	1.2
119.84552	0.4
136.01662	12.8
136.89183	0.6
137.02444	100.0
138.01880	0.2
138.02785	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	135.0452
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
56.24107	0.7
63.89803	0.6
64.63486	0.5
68.35416	0.6
70.48730	0.6
89.03975	1.8
91.05561	1.0
106.04222	0.7
107.05014	4.2
108.02164	0.8
117.03471	3.2
134.03735	19.2
135.04527	100.0
136.04857	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	133.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
65.43321	0.9
71.01388	100.0
71.27045	1.3
72.01719	3.8
72.99313	6.8
80.07492	0.7
87.00883	32.8
87.04533	7.7
88.01229	0.9
89.02459	8.6
91.05836	0.8
115.00381	36.3
116.00699	1.6
117.13216	0.7
119.39201	0.7
133.01447	6.5
133.05080	35.6
134.04691	1.2
137.64738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0508
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03455	9.2
59.01370	3.1
70.92966	1.5
70.93313	1.4
71.01383	100.0
72.01719	2.0
72.99310	13.0
75.00864	1.4
81.10464	0.9
85.02945	1.4
87.00878	31.5
87.04523	10.2
88.86590	1.0
89.02440	9.4
89.24720	1.0
90.97578	1.0
110.29969	0.9
115.00378	50.3
116.00661	2.4
133.01425	10.0
133.05067	36.8
134.04724	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	133.0508
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
59.01388	3.7
65.43321	0.9
71.01388	100.0
71.27045	1.3
72.01719	3.8
72.99313	6.8
80.07492	0.7
87.00883	32.8
87.04533	7.7
88.01229	0.9
89.02459	8.6
91.05836	0.8
115.00381	36.3
116.00699	1.6
117.13216	0.7
119.39201	0.7
133.01447	6.5
133.05080	35.6
134.04691	1.2
137.64738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38145	0.8
53.44740	0.8
57.03481	0.7
59.01360	1.6
64.80905	0.8
66.60450	0.8
69.31476	5.9
71.01377	76.1
72.01714	0.9
72.99307	20.7
87.00867	1.9
89.02446	8.7
98.19865	1.4
103.51669	1.1
105.91763	0.8
115.00368	100.0
116.00688	3.1
127.95675	0.8
133.00462	1.4
133.01428	18.6
136.81656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.38331	0.9
58.96466	0.9
59.01374	2.4
59.68608	0.9
65.54511	0.9
70.82921	1.4
70.83282	1.8
71.01379	84.5
72.01730	1.9
72.99310	22.0
79.88082	1.1
84.40028	0.9
87.00900	1.4
89.02450	11.3
98.20475	1.1
109.04784	1.0
115.00372	100.0
116.00702	4.4
131.85941	1.0
133.01424	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	133.0144
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
50.15875	0.7
50.21806	0.7
50.22058	0.8
57.03439	2.4
59.01375	3.7
65.32623	0.6
69.99994	3.4
71.01381	100.0
72.01723	2.0
72.99309	16.0
82.84807	0.7
85.02972	0.9
87.00876	20.8
87.04507	5.0
89.02461	8.8
104.55463	0.8
107.03634	1.2
115.00372	71.4
116.00745	1.2
133.01434	13.8
133.05074	22.5
134.04726	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.48325	1.3
57.40409	1.1
59.01370	3.5
63.28295	1.0
70.68250	1.3
70.71462	2.6
70.71829	1.6
73.02938	1.7
79.97314	1.1
85.02956	3.4
87.00858	3.1
87.04510	6.1
88.04043	12.9
113.02403	1.2
113.03544	1.9
130.08731	100.0
131.03545	1.4
131.09073	4.8
131.38991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	Ethyl 3-hydroxybutyrate
Peak:m/z	Relative Intensity
51.75977	2.1
53.46257	2.2
53.52191	2.6
57.03447	14.8
59.01379	6.1
68.99827	3.2
69.61311	9.3
69.61706	4.0
71.01390	5.7
73.02969	10.6
75.00897	4.6
81.12800	2.2
85.02954	27.4
85.06596	100.0
86.06950	3.2
87.04530	29.3
88.04053	3.8
98.20781	2.2
109.96140	2.4
113.02435	3.3
113.06116	4.0
131.03491	10.0
131.07152	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	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01893	1.9
57.03445	2.6
57.66531	1.3
60.61410	1.4
66.22111	1.6
67.01896	2.0
68.99841	2.1
70.67223	4.5
74.51502	1.4
83.01425	1.6
84.01330	1.3
84.17879	1.2
84.90546	1.5
85.02950	100.0
86.03269	2.5
88.04046	14.0
99.64760	1.4
129.01962	6.2
129.03894	5.2
129.07516	6.7
130.08723	12.1
145.11205	1.7
145.94997	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	129.0195
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
55.01866	2.5
57.03445	2.2
67.01895	3.8
68.99786	2.0
70.67460	3.3
85.02949	100.0
86.03312	3.7
88.04052	1.4
93.28528	1.3
99.00921	1.6
101.02442	4.1
113.99670	1.7
118.26291	1.3
129.01964	7.6
129.03903	2.5
129.07518	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61128	4.2
54.92302	4.3
55.01876	16.1
56.02605	4.4
57.03458	35.4
57.92027	4.3
66.37909	4.6
67.01879	12.0
68.99801	5.0
71.01383	100.0
71.19293	6.1
85.02948	89.2
101.02467	12.8
113.99637	5.0
129.01936	36.9
129.07550	29.7
130.08755	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	128.0718
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
57.03435	0.9
58.02965	0.9
60.61890	0.6
65.83092	0.5
67.01894	1.1
68.99791	1.4
70.00407	2.0
79.63041	0.6
80.05050	0.5
81.42890	0.6
82.02989	3.9
82.06345	0.5
84.04479	0.8
85.02950	45.0
97.46460	0.6
98.13742	0.6
98.19946	0.8
101.02436	1.2
128.03542	84.8
128.07176	100.0
129.01926	2.8
129.03876	3.0
129.07520	4.7
130.02997	0.6
147.75766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01875	8.5
55.77156	2.7
57.03449	19.8
67.01882	45.6
68.99800	6.4
71.01389	5.5
71.50597	4.6
83.22971	2.7
85.02950	100.0
88.04048	4.9
99.00904	3.7
101.02441	6.7
121.91013	3.0
128.90167	6.6
129.01939	23.6
129.03908	6.2
129.07497	14.1
130.05104	5.7
131.15654	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	128.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24364	0.9
56.01074	1.0
63.94012	1.0
64.92403	0.8
68.99835	1.8
69.99974	4.2
77.34328	0.9
82.03003	6.0
85.02954	51.1
95.07223	1.0
98.19914	1.5
100.07606	1.5
100.50657	1.0
101.02427	1.0
104.32800	1.2
128.03546	100.0
128.07185	90.4
129.01949	4.5
129.03885	4.1
129.07475	5.7
132.51440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0356
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
55.24364	0.9
56.01074	1.0
63.94012	1.0
64.92403	0.8
68.99835	1.8
69.99974	4.2
77.34328	0.9
82.03003	6.0
85.02954	51.1
95.07223	1.0
98.19914	1.5
100.07606	1.5
100.50657	1.0
101.02427	1.0
104.32800	1.2
128.03546	100.0
128.07185	90.4
129.01949	4.5
129.03885	4.1
129.07475	5.7
132.51440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0402
Annotation	(4E)-2-Oxohexenoic acid
Peak:m/z	Relative Intensity
55.01878	6.4
61.52364	1.3
63.66309	1.6
68.52807	1.2
69.32699	11.7
71.01364	2.5
71.22936	1.4
81.03457	24.4
83.05030	100.0
84.05372	3.6
94.30878	1.3
117.05993	1.4
126.90425	6.9
127.00353	5.4
127.04010	9.4
128.03572	4.5
128.07176	22.3
132.95718	1.5
142.00883	1.4
146.28780	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.60839	0.2
70.80081	0.6
70.80436	0.2
91.01907	1.0
92.02658	0.5
93.03464	2.8
94.02992	1.8
95.01385	1.3
108.02185	3.5
120.02146	0.2
121.02966	100.0
122.02483	1.6
122.03304	5.4
130.47639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
58.23969	2.4
69.70731	7.3
69.71149	9.2
93.03449	6.8
94.02969	5.5
95.10104	2.7
98.20631	4.4
114.47667	2.6
121.02962	100.0
122.02459	3.0
122.03298	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
68.32853	2.0
69.29745	15.6
79.63027	1.8
93.03455	8.0
94.02978	7.5
98.19890	3.7
98.37286	1.9
100.61149	1.9
108.02172	3.4
121.02955	100.0
122.02465	6.4
122.03259	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	1192.569
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01429	0.6
86.02484	1.9
86.99122	0.6
87.05659	1.4
90.00214	0.6
97.04089	0.9
99.05647	6.9
101.07202	1.1
102.05624	1.2
107.06115	0.7
109.04063	1.8
109.07674	0.4
111.05616	0.6
112.04087	0.7
113.03582	0.4
116.01734	0.8
116.92824	0.3
122.03711	0.4
123.05637	0.5
124.01675	0.4
124.04075	0.4
125.02454	1.8
125.03577	1.2
127.05148	1.4
128.03540	20.2
129.03885	0.4
129.99762	0.3
133.88461	0.3
135.05623	2.3
137.02423	0.9
137.03391	0.3
137.07230	0.4
139.91585	0.3
141.06721	1.8
143.04626	25.7
145.06178	1.6
146.04628	2.4
151.04048	0.4
153.06715	2.3
160.00731	7.6
161.02437	0.9
163.04089	0.3
164.01085	0.4
165.01939	0.4
166.09854	1.1
167.04587	2.4
167.08278	1.5
170.03239	0.4
171.07690	0.4
177.03412	2.6
179.04636	7.3
181.06253	0.8
184.10953	0.4
185.05690	1.3
192.07756	0.9
197.05690	1.0
198.08879	0.6
203.07170	0.5
209.11839	0.7
210.08829	7.1
228.09840	0.5
242.07921	0.9
254.05174	0.4
254.05670	0.2
254.07813	9.1
272.08893	15.9
273.09177	0.6
288.06616	5.6
289.07184	2.8
290.07578	0.8
299.05563	0.4
306.07654	100.0
307.08002	4.0
361.76801	0.4
416.75189	0.4
419.83496	0.4
451.10165	0.5
628.00122	0.3
688.37286	0.4
710.11511	0.3
866.50354	0.4
902.49280	1.0
903.47729	0.4
1022.51215	0.9
1040.52014	1.3
1174.55432	1.5
1192.29675	0.7
1192.56702	10.9
1193.56738	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	1192.569
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04539	0.6
86.02490	2.7
86.99097	0.8
87.05636	1.7
90.00191	0.8
92.28074	0.3
96.04573	0.3
97.04090	1.2
99.05643	6.8
100.00422	0.4
101.07209	0.9
102.05612	1.4
105.08900	0.3
107.06183	0.5
109.02943	0.5
109.04071	1.8
109.07728	0.4
111.05673	0.6
112.04043	0.6
116.01768	0.7
120.01192	0.4
121.04055	0.4
123.04581	0.4
123.05647	0.8
124.04065	0.5
125.02443	1.3
125.03555	0.8
126.01899	0.6
127.05170	1.6
128.03548	21.1
129.99734	0.4
135.05634	2.7
137.02435	0.6
137.07167	0.6
139.05154	0.3
141.06676	1.5
143.04626	27.0
144.05026	0.4
145.06235	1.1
146.04620	2.0
151.03998	0.4
153.06682	1.7
160.00740	9.3
161.02458	0.7
164.01204	0.3
165.01962	0.4
166.09866	1.4
167.04605	2.1
167.08250	0.9
171.04070	0.4
171.07787	0.4
177.01996	0.4
177.03406	2.3
177.12740	0.3
179.04630	7.2
181.06174	0.9
185.05643	1.0
192.07745	0.8
197.05595	0.9
198.08780	0.5
209.11786	0.5
210.08841	6.8
219.59946	0.3
228.09883	0.4
242.07840	0.9
245.33389	0.3
254.07822	7.7
255.02754	0.4
272.08884	15.8
273.09222	0.5
288.06586	6.0
289.07013	1.8
290.07513	0.5
300.55081	0.3
306.07654	100.0
307.07968	3.6
308.07309	0.9
451.10245	0.5
520.79779	0.3
902.49567	1.0
903.47821	0.4
1040.52063	0.8
1064.17883	0.3
1160.53967	0.4
1192.56946	14.0
1193.56335	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
53.01815	0.8
57.43309	1.0
59.09965	0.7
86.98612	0.8
89.00397	0.8
91.05552	1.8
93.03455	4.8
98.20667	1.6
116.93975	0.8
118.92694	1.4
119.05032	100.0
120.05353	5.3
121.86449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
66.13375	0.8
70.41689	2.9
75.95340	0.8
85.00833	0.9
93.03478	6.7
119.05038	100.0
120.05353	5.3
121.59421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
52.79851	0.7
69.41017	4.7
69.41428	1.5
81.47291	0.8
81.82979	0.7
91.05539	1.9
93.03464	4.4
96.95747	0.9
98.19894	1.4
119.05037	100.0
120.05354	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.50446	0.7
59.01381	1.2
69.63898	4.3
73.02966	0.8
93.03485	4.7
101.92424	2.8
118.92648	5.0
119.05031	100.0
120.05360	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	1187.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.2
94.96585	0.1
97.02998	0.2
98.19890	0.3
107.01405	0.3
107.05003	0.1
109.02952	1.7
110.55068	0.2
121.02928	0.2
123.04536	0.4
125.02442	1.1
132.02171	0.2
133.02960	5.0
133.06628	0.2
134.03738	0.4
135.04510	1.0
137.02448	0.6
139.04077	0.1
142.88464	0.1
145.02983	0.2
147.04494	0.3
149.02434	0.7
149.06120	0.5
151.04041	0.6
159.04523	0.3
161.02434	0.7
161.06064	0.4
162.03166	0.2
163.04036	0.6
165.01901	0.4
173.02448	0.3
174.03232	0.1
175.04001	1.9
177.01927	1.3
177.05632	0.7
179.03520	0.5
184.64369	0.1
187.04016	0.5
187.42310	0.1
189.01938	0.3
189.05586	0.4
190.02740	0.3
191.03459	0.7
193.05118	0.1
195.23578	0.1
199.03955	0.2
201.01976	0.9
201.05667	0.3
203.03494	1.0
203.07117	0.2
205.01431	0.8
205.05035	0.6
207.03064	0.3
209.06497	0.1
211.04036	0.2
212.04732	0.2
213.05620	0.3
215.03546	0.4
217.05095	0.5
219.03008	0.2
221.04500	0.2
225.05560	0.3
226.06331	0.3
227.03493	0.6
227.07225	0.4
229.04881	0.3
231.02943	0.3
233.04559	0.5
235.02403	0.2
237.05591	0.2
239.07147	0.5
240.04303	0.2
241.05074	0.4
243.02980	0.2
243.06705	0.2
245.04523	0.6
245.08162	0.2
252.04240	0.2
253.05074	0.5
254.05804	0.4
255.03050	0.6
255.06543	0.3
256.03824	0.3
257.04575	0.5
265.05054	0.1
266.05820	0.4
267.06689	0.5
268.04291	0.1
269.04507	0.5
269.08224	0.3
270.05429	0.2
271.02292	0.2
271.06171	0.2
275.05667	0.2
277.04678	0.1
279.06552	0.2
280.03891	0.2
281.04486	0.3
282.05307	0.4
283.06107	1.0
284.03503	0.2
284.06842	0.3
285.04214	0.7
287.05518	0.2
289.07123	0.9
293.04691	0.2
294.05276	0.2
295.06015	0.6
296.03085	0.2
297.04071	2.3
297.07297	0.1
298.04803	6.6
299.05551	2.9
299.08743	0.2
300.05988	0.2
309.04025	0.7
309.07477	0.3
310.04919	0.5
311.05624	4.9
311.09155	0.3
312.06372	6.1
313.07153	7.1
314.07587	0.4
321.03928	0.3
323.05591	1.6
324.06140	0.3
325.03683	0.2
325.07159	1.1
327.05090	3.9
327.08902	0.3
328.05457	0.2
330.03848	0.4
335.05612	0.2
337.03540	0.2
337.07254	0.3
338.04541	0.2
339.05099	8.9
340.05566	0.7
341.06616	4.8
342.07309	0.2
344.05368	0.9
351.05154	1.0
352.05640	0.2
353.06650	2.6
354.06958	0.2
357.06165	1.5
363.05023	0.2
365.06464	0.3
367.04514	0.6
367.08441	0.2
369.06137	34.8
370.06427	2.0
371.07764	0.6
379.04556	0.2
381.06134	3.6
381.10760	0.2
382.06332	0.3
383.07797	1.2
393.05984	0.3
395.07587	0.3
397.05722	0.4
399.07199	26.3
400.07477	1.6
407.07724	1.0
411.07169	3.8
412.07312	0.2
413.08884	0.7
423.07294	0.5
425.08929	1.2
429.02371	0.3
429.08258	6.5
430.08633	0.4
435.07159	0.6
441.08279	2.5
442.08292	0.3
447.08905	0.2
451.10242	0.3
453.08154	0.6
459.09155	0.7
465.08252	0.3
471.09329	1.8
483.09476	0.3
489.10382	11.6
490.10443	0.7
501.10858	0.7
519.11517	3.2
520.11847	0.2
577.13489	0.7
591.13574	0.6
609.14594	100.0
610.14941	8.9
1119.98035	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	1173.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	2.8
83.01387	5.3
83.05034	0.4
83.07734	0.3
84.68499	0.2
85.02955	0.7
89.02452	0.7
92.30980	0.3
93.03468	2.7
95.01400	1.5
95.05027	2.9
97.02947	7.0
97.03579	0.4
99.04496	0.5
101.02454	0.7
105.03458	0.6
107.05030	0.9
108.02171	2.4
109.02952	22.2
109.06652	0.3
110.03275	0.3
117.03456	0.8
119.04941	0.3
120.02164	0.4
121.02959	4.5
122.03751	1.9
123.00896	0.4
123.04527	14.2
124.01673	0.4
125.02448	16.1
125.09699	0.8
131.05045	0.8
133.02969	1.5
133.06535	0.4
135.04491	2.8
136.74532	0.2
137.02443	19.8
138.03183	0.7
139.03029	0.4
139.04013	5.0
143.04967	0.6
145.02994	1.6
146.03769	1.9
147.04478	1.3
149.02437	6.4
149.06055	0.4
150.03175	0.9
151.04007	8.4
157.06572	0.8
158.03712	0.7
159.04489	5.5
160.05336	2.0
161.02435	4.0
161.06073	8.4
162.03188	2.3
162.06435	0.3
163.00377	2.1
163.04019	1.9
164.01151	5.2
165.01930	5.4
165.05540	0.5
166.02577	0.4
167.03482	2.3
171.04408	0.3
173.02415	0.4
173.06046	1.5
174.03188	0.9
175.03999	3.9
175.07616	2.9
176.01122	1.2
177.01933	3.2
177.05589	1.1
178.02744	0.6
179.03497	6.6
179.14331	0.4
183.04593	0.3
184.05307	0.6
185.06024	1.6
187.04008	7.5
188.04794	6.5
189.05295	0.3
190.02705	0.3
191.03505	0.3
199.07622	1.3
201.05658	1.5
202.06364	2.9
203.03474	0.9
203.07124	19.3
204.04326	0.5
204.07446	0.7
205.05045	10.9
206.05489	0.5
207.10194	0.7
211.03990	0.3
212.04826	1.2
213.05560	0.3
217.05052	0.8
217.08644	1.0
221.08253	2.9
223.13321	1.8
225.11292	0.4
227.07153	3.4
229.05144	0.6
230.05867	1.1
231.02988	1.7
245.08170	21.9
246.08524	1.0
247.06042	2.1
249.11356	0.3
263.12735	0.4
265.14334	0.6
271.06165	1.4
277.21643	1.6
289.07172	73.8
290.07510	2.8
291.12463	0.4
342.66071	0.2
397.13333	0.3
435.18039	0.7
453.19296	0.3
497.18155	0.5
883.46313	0.3
916.10919	0.3
961.49622	0.3
967.49146	1.0
968.50348	0.3
1021.50214	6.9
1022.49988	0.9
1044.82080	0.3
1051.50916	0.3
1062.56848	0.3
1111.56140	0.6
1129.53186	1.6
1155.53748	6.3
1156.54065	0.9
1173.54846	100.0
1174.55103	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	1170.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04565	0.5
82.02991	0.9
84.04537	0.2
85.04074	0.3
86.02483	2.8
86.06117	0.5
86.99092	0.9
87.00940	0.2
87.05635	1.3
90.00194	0.6
92.76810	0.2
93.04574	0.2
95.02515	0.3
96.04548	0.2
96.96017	0.5
97.04095	1.0
98.02535	0.2
99.05645	7.5
100.00417	0.2
101.07211	0.9
102.05582	1.0
107.06152	0.7
109.02939	0.2
109.04065	1.6
109.07713	0.4
111.05654	0.9
112.04034	0.8
113.03574	0.3
113.07256	0.2
114.37011	0.2
116.01759	0.6
120.01254	0.3
123.05640	0.8
124.04037	0.5
125.02568	0.3
125.03576	1.1
126.01999	0.2
127.05140	1.2
128.03543	21.2
129.03915	0.4
129.99696	0.3
131.04623	0.4
135.05652	2.7
137.07196	0.5
139.01569	0.2
139.05154	0.3
141.06709	1.8
143.04622	27.2
144.04973	0.4
145.06195	1.4
146.04597	2.4
149.07147	0.3
153.06721	2.1
160.00740	8.2
161.02383	0.2
166.09856	1.5
167.03349	0.3
167.04622	2.3
167.08252	1.3
170.03282	0.3
171.04044	0.4
171.07718	0.2
175.02460	0.2
177.03386	2.5
177.45665	0.2
179.04623	7.6
180.32925	0.2
181.06174	0.7
184.10890	0.5
185.05664	1.2
192.07826	0.8
197.05630	0.8
198.08810	0.3
209.11873	0.4
210.08839	7.1
213.03394	0.2
228.09879	0.4
242.07809	0.5
254.07814	8.0
255.08224	0.2
255.23413	0.2
265.14767	0.5
272.08871	14.7
273.09116	0.4
288.06564	5.0
289.06970	0.2
306.07645	100.0
307.07925	2.9
508.85519	0.2
511.39746	0.2
994.49286	0.5
1059.26160	0.2
1152.58154	0.9
1170.58411	12.4
1171.58484	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	1173.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.5
87.00874	0.3
91.01939	0.3
92.65273	0.1
93.03455	0.3
107.01392	1.5
108.02190	0.8
109.02952	1.0
117.03473	0.3
119.01483	0.1
121.02942	1.1
125.02428	0.3
133.03018	0.1
135.00874	0.5
139.74469	0.1
143.05032	0.1
143.49457	0.1
148.01665	0.7
149.00929	0.8
149.02422	0.3
151.00372	7.1
151.96222	0.1
152.00804	0.1
153.01918	0.2
159.04524	0.3
161.02454	0.3
163.00385	1.5
163.03998	0.2
164.01105	0.4
165.01994	0.2
169.01439	0.4
173.02484	0.2
175.00372	0.3
175.03981	0.2
177.01900	0.2
178.99860	3.7
182.03749	0.1
183.04459	0.2
185.06081	0.2
187.04022	0.3
190.02615	0.1
191.03468	0.1
192.00671	0.2
193.01402	0.2
195.04718	0.1
198.03218	0.2
199.03967	0.6
201.01944	0.2
201.05591	0.3
203.03516	0.4
208.00420	0.1
211.04028	0.9
212.04712	0.1
215.03502	0.5
216.04196	0.4
226.02617	0.9
227.03490	2.4
228.04050	0.2
229.01480	0.2
229.04985	0.5
239.03427	0.3
243.02966	6.7
244.03571	0.5
245.04500	0.8
254.02199	1.7
255.02983	18.4
256.03397	1.1
257.04745	0.2
271.02469	40.1
272.03009	2.5
273.04019	0.8
282.05270	0.1
283.02496	0.9
283.06146	0.7
293.04550	2.5
294.04819	0.3
297.03928	0.2
299.01965	0.9
300.02744	65.9
301.03476	27.1
302.03885	1.0
311.05566	1.1
311.97318	0.1
323.05487	0.2
341.06699	0.3
343.04669	0.6
396.30453	0.1
401.01120	0.1
413.08701	0.5
431.09888	1.2
563.14160	1.3
595.22614	0.4
609.14581	100.0
610.14899	7.6
651.86804	0.1
810.15588	0.2
837.70532	0.1
863.72272	0.1
1139.59705	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	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01874	0.7
68.01432	0.4
70.18445	1.0
73.02948	100.0
74.03285	2.9
92.27074	0.4
99.00888	8.6
99.92578	0.9
116.92871	3.1
117.01942	12.8
121.34268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.2
85.02958	0.5
87.00881	0.5
89.02448	2.5
93.03458	0.2
95.01385	0.2
101.02446	1.2
103.00379	0.2
103.01894	0.3
112.98779	0.2
113.02443	0.6
117.03458	7.4
118.03823	0.1
119.03484	0.3
119.05022	0.1
125.02468	0.2
131.01389	1.9
131.03485	0.1
133.02983	0.2
145.02959	0.2
147.04549	0.1
149.00917	1.2
149.02411	0.2
151.03947	0.1
159.04517	0.2
161.02428	0.9
163.00304	0.3
163.04031	0.7
165.01860	0.2
169.06496	0.1
173.02437	4.2
175.00360	8.1
176.00693	0.2
177.01892	0.1
182.03712	0.1
183.04471	0.2
185.02452	0.2
191.03436	0.2
193.01329	0.2
193.06554	0.3
195.04572	0.1
197.06032	0.3
209.06001	0.3
221.06094	0.6
224.04950	0.2
225.05585	0.3
227.03366	0.1
237.05629	0.5
239.07074	0.3
248.04703	0.2
249.05554	0.9
251.03755	0.4
253.05093	0.3
254.05687	0.2
255.06758	0.1
264.04361	0.2
265.05078	0.8
268.03748	0.3
269.04550	2.2
275.03528	0.2
278.05734	0.1
279.06577	0.2
281.04547	2.5
281.07446	0.2
282.05347	2.0
283.06110	7.1
284.06494	0.3
291.06650	0.2
292.03723	0.1
293.04550	100.0
294.04898	5.0
295.06134	1.4
297.04160	0.2
297.07635	0.1
306.05533	0.1
307.06052	0.3
308.03354	0.2
309.03955	0.4
310.04886	0.3
311.05606	12.6
312.05939	0.7
314.04370	1.1
321.04105	0.2
323.05621	2.7
324.06210	0.1
325.07175	0.3
327.05066	0.2
335.05548	1.5
337.07263	0.2
341.06625	3.1
341.53900	0.1
342.06946	0.3
353.06638	0.8
355.08273	0.3
357.05872	0.1
365.06696	0.5
377.06546	0.1
395.07758	0.2
413.08755	29.4
414.09015	1.7
431.09808	8.4
432.10349	0.5
443.10181	0.5
447.09586	0.2
473.10904	1.0
563.14197	31.4
564.14496	2.2
593.15082	55.1
594.15387	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	1153.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	1.0
83.01392	3.3
83.01890	0.2
83.05042	0.3
85.02969	0.2
85.95152	0.1
89.03978	0.9
91.01903	0.3
91.05584	0.1
93.03462	1.3
95.01367	0.8
95.05035	1.0
97.02946	1.2
99.04505	0.2
103.05569	0.2
105.03442	0.8
107.01371	0.2
107.05048	2.3
108.02190	0.9
109.02960	8.6
115.05534	0.2
115.61106	0.2
117.03472	1.2
119.05042	0.5
120.02187	0.3
121.02953	2.2
122.03757	0.7
122.75664	0.1
123.00921	0.3
123.04530	5.2
124.01680	0.4
125.02455	100.0
126.02775	1.2
129.03419	0.2
130.04263	0.5
131.05048	1.5
132.02197	1.1
132.03018	0.2
133.02962	7.2
133.06633	0.2
133.14542	0.1
134.03731	0.2
135.00890	0.7
135.04529	2.0
137.02455	11.1
138.03258	0.2
139.04024	1.3
143.05031	0.5
145.02992	0.8
145.06529	0.2
146.03726	0.5
147.04544	1.2
148.01660	0.3
149.02443	2.7
149.06096	0.7
150.03207	0.7
151.04016	10.3
154.02747	0.2
155.05029	0.6
157.02899	0.2
157.06587	0.3
158.03748	0.5
159.04524	2.9
160.01656	0.6
160.05283	0.5
161.02454	35.7
161.06042	1.7
161.69678	0.1
162.03214	2.2
163.00383	3.2
163.04010	2.9
164.01169	6.5
165.01944	5.7
167.03528	1.5
167.04930	0.3
169.06563	0.2
171.04506	0.6
173.02449	0.6
173.06087	1.2
174.03220	1.3
175.04008	15.7
176.01167	1.0
176.04503	0.4
177.01930	12.0
177.05460	1.2
178.02635	0.4
179.03510	1.8
183.04550	0.9
184.05247	0.2
185.02438	0.4
185.06064	0.7
186.03268	0.2
187.02321	0.2
187.04013	3.7
188.04776	1.2
189.01941	2.1
189.05536	0.9
190.02705	0.9
191.03525	1.1
193.05060	1.6
196.05293	0.3
197.06091	0.7
198.03214	0.3
199.04015	5.0
199.07628	0.4
200.04686	0.6
201.01959	1.6
201.05597	2.8
202.02725	0.3
202.06345	0.4
202.99869	0.4
203.03519	3.0
203.07141	2.9
204.04161	0.3
205.01443	1.1
205.05058	2.9
206.02153	0.1
207.02878	0.3
209.06047	0.3
211.03993	1.4
212.04732	0.5
213.01987	0.2
213.05583	1.2
214.02748	1.1
215.03529	1.1
215.07126	0.6
216.00742	0.3
216.04315	0.2
217.01439	0.6
217.05051	8.0
218.05449	0.3
219.03000	3.4
219.06400	0.9
221.04523	0.2
221.08192	0.5
223.04033	0.2
224.04782	0.3
225.05573	1.7
226.02750	0.2
227.03519	2.6
227.07143	0.6
228.04257	1.0
229.01497	0.3
229.05087	2.4
230.02081	0.2
230.05759	0.4
231.03004	1.4
231.06628	0.3
232.03668	0.3
233.04465	0.2
235.04036	0.4
237.05559	0.5
239.03467	0.4
239.07068	0.3
240.04256	0.4
241.05087	1.5
242.02110	0.4
243.02988	21.7
243.06499	1.8
244.03548	1.0
245.04533	10.5
245.08192	3.9
246.04945	0.4
246.08699	0.2
247.06064	0.6
249.05576	0.4
251.03450	0.2
251.07205	0.4
253.05070	1.2
253.08862	0.2
254.05832	0.2
255.03004	6.9
255.06596	0.5
256.03751	2.4
257.04520	2.1
258.05029	0.2
259.02521	0.2
259.06091	0.4
261.04028	6.8
265.04926	0.2
266.05710	0.2
267.03015	0.9
267.06638	0.5
268.03964	0.2
269.04565	4.0
270.05136	0.4
271.02435	0.5
271.06076	0.5
273.03989	1.7
273.12311	0.2
277.05334	0.2
278.05923	0.2
279.02979	0.6
279.06372	0.2
280.03598	0.3
281.04523	2.7
282.01669	1.4
282.05011	0.4
283.02490	2.0
283.06094	0.5
284.03091	0.5
285.04071	3.0
285.07321	0.3
286.04770	0.5
287.05621	38.2
288.02777	0.4
288.05951	1.4
289.07190	13.7
290.07529	0.4
291.06552	0.3
293.04718	1.3
293.07962	0.3
294.05374	0.2
295.02496	0.9
295.06174	0.7
297.03995	1.0
297.07593	0.4
298.04874	0.3
299.05615	3.0
300.02863	0.4
300.05945	0.2
301.03470	0.4
301.07208	0.3
303.05112	0.2
305.04480	0.5
307.02423	0.2
307.05923	0.2
308.03461	0.2
309.04123	0.5
309.07681	0.4
311.05640	1.0
313.03537	0.3
313.07135	0.4
315.08939	0.2
317.04449	0.2
319.06100	0.5
321.04007	0.3
321.07648	0.2
322.04672	0.2
323.05508	0.4
327.05078	0.7
327.08572	0.3
328.05756	0.3
329.06720	1.3
331.08368	0.2
335.05505	0.7
337.03510	0.4
337.07169	0.9
339.01401	0.2
339.05084	0.5
339.08698	1.0
341.06769	1.2
347.05481	0.3
351.04977	0.2
351.08850	0.2
353.06650	0.3
359.05576	0.3
361.03467	0.8
361.07025	0.4
363.05075	0.9
363.08969	0.3
365.06772	0.6
367.08301	0.2
369.09726	0.4
373.03302	0.6
374.04504	0.3
375.05121	0.3
377.06659	0.3
379.04260	0.4
379.08649	0.8
381.05420	0.8
381.10611	0.8
383.07681	0.6
387.05130	1.5
389.06622	0.3
391.04446	0.5
395.07721	1.6
405.06094	6.5
406.06534	0.3
407.07700	16.8
408.08154	1.0
413.08774	11.3
414.08911	0.5
417.06177	0.3
419.07736	0.4
421.09357	0.2
423.07205	6.6
424.07468	0.4
425.08783	10.6
426.08957	0.4
431.07553	0.3
433.09116	0.8
435.07111	0.5
437.08646	0.3
447.07034	0.6
449.08789	9.4
450.09177	0.4
451.10394	6.2
452.07687	0.6
453.07986	0.2
457.09204	0.2
459.07684	0.2
465.08154	0.6
467.09991	0.7
505.11493	0.3
513.08276	0.3
515.09930	0.3
525.08282	1.1
531.08936	1.4
533.10858	1.3
535.12805	0.2
541.08691	0.2
543.08862	1.0
549.10394	1.6
550.10510	0.3
557.10822	1.1
559.12775	1.1
561.10345	0.5
567.10107	0.3
569.10992	0.8
575.11932	14.6
576.12207	1.2
577.13513	14.2
577.22949	0.3
578.14026	0.9
585.10480	0.3
587.11963	2.5
617.13025	0.5
619.14301	0.5
629.13123	0.4
651.11365	0.2
669.15967	0.2
677.12897	0.5
693.12561	1.6
694.13568	0.2
695.14142	5.3
696.14844	0.3
701.15088	2.8
702.15295	0.2
705.12830	0.5
711.13745	0.8
713.15131	1.6
714.15521	0.2
737.15472	1.2
739.16638	4.3
740.15680	0.6
755.15723	0.3
805.17676	0.3
813.15222	0.9
821.18024	0.6
831.15613	1.8
845.16498	0.2
847.18524	0.4
849.16516	0.7
857.17114	0.7
863.18518	2.4
864.19244	0.4
865.19885	5.0
866.19678	0.4
875.18555	0.5
907.21075	0.3
939.22687	0.2
957.22650	0.2
965.19342	0.5
983.20435	3.7
984.20978	0.5
1001.20874	1.4
1002.20264	0.2
1027.23230	1.1
1135.24548	0.3
1153.26306	1.7
1154.26147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	1.0
83.01392	2.9
89.03984	1.1
91.01913	0.4
93.03463	1.6
95.01403	0.5
95.05036	0.9
97.02979	1.5
105.03508	0.6
107.05021	1.7
108.02183	0.9
109.02961	8.0
109.03699	0.5
117.03450	1.1
119.04993	0.5
120.02189	0.6
121.02951	2.1
122.03743	0.4
123.04541	4.8
124.01675	0.4
124.04876	0.2
125.02456	100.0
126.02803	1.9
130.04240	0.5
131.05000	1.5
132.02228	1.2
133.02966	7.9
135.00903	0.6
135.04518	2.0
137.02454	10.8
139.03993	1.1
143.05025	0.4
145.02991	0.8
145.06612	0.3
146.03705	0.4
147.00803	0.2
147.04546	1.2
147.20074	0.2
148.01743	0.4
148.91887	0.2
149.02438	3.2
149.06093	0.8
150.03242	0.5
151.00327	0.2
151.04019	9.1
151.05249	0.4
155.05067	0.3
157.06569	0.5
158.03723	0.5
159.04500	2.8
160.01663	0.6
161.02454	34.1
161.06033	1.4
162.03210	2.6
163.00389	3.2
163.04030	3.0
164.01161	6.0
165.01944	5.4
165.05533	0.3
166.02661	0.2
167.03479	1.4
171.04553	0.5
173.02400	0.6
173.04669	0.4
173.06076	1.5
174.03218	1.3
175.04008	17.3
176.01155	1.0
176.04361	0.5
177.01941	11.9
177.05484	1.4
178.02484	0.4
179.03491	1.2
183.04547	1.1
185.02412	0.4
185.06075	0.7
187.03990	3.6
188.04782	1.0
189.01991	1.6
189.05513	1.2
190.02692	0.8
191.03549	1.1
191.05223	0.2
191.23172	0.2
193.05078	1.4
195.04524	0.2
197.06088	0.5
198.03239	0.3
199.04008	5.6
199.07726	0.5
200.04671	0.4
201.01932	1.7
201.05579	2.9
202.02725	0.4
202.06372	0.7
202.99875	0.2
203.03500	3.2
203.07152	2.9
204.00607	0.3
204.03957	0.2
205.01503	1.4
205.05049	2.4
205.47319	0.2
209.06100	0.3
211.03978	1.3
212.04840	0.5
213.01842	0.3
213.05560	1.3
214.02745	0.9
215.03517	1.3
215.07104	0.5
216.00772	0.2
217.01443	0.8
217.05055	9.0
218.02220	0.2
218.05362	0.3
219.02986	3.7
219.06374	1.2
221.08157	0.5
223.04118	0.2
225.05594	1.8
226.06119	0.2
227.03500	2.3
227.07144	0.8
228.04201	0.7
229.01376	0.3
229.04988	2.2
230.05836	0.3
231.03035	1.4
237.05595	0.3
239.03705	0.3
239.07133	0.2
240.04190	0.3
241.05031	1.2
242.02292	0.3
243.02988	23.3
243.06532	1.9
244.03497	1.3
245.04538	11.9
245.08194	3.5
246.04941	0.7
247.06123	0.7
249.05611	0.4
251.03404	0.6
252.04221	0.2
253.05122	1.3
255.02997	7.4
255.06633	0.6
256.03683	2.7
257.04489	2.1
259.02408	0.2
259.06198	0.5
261.04034	7.1
265.05188	0.3
267.02951	0.6
267.06573	0.5
268.03821	0.5
269.04544	4.2
271.02637	0.3
271.06174	0.7
273.03998	1.5
279.03058	0.5
279.06607	0.3
280.03879	0.3
281.04559	2.4
282.01733	1.3
282.04779	0.2
283.02512	2.3
283.05997	0.5
284.03247	0.6
285.04099	2.4
286.04764	0.3
287.05621	38.0
288.05942	1.4
289.07205	12.3
290.07602	0.5
291.06589	0.2
293.04742	1.2
294.04968	0.4
295.02521	0.9
295.06128	0.7
297.04001	1.1
297.07584	0.6
299.05539	2.4
300.02753	0.3
301.03503	0.3
305.04471	0.5
309.04059	0.4
309.07581	0.4
311.05600	0.8
313.07257	0.4
319.06100	0.4
321.03946	0.3
321.07562	0.3
326.04416	0.3
327.05124	0.9
329.06668	1.3
335.05539	0.6
337.07208	0.6
339.05203	0.3
339.08710	1.2
341.06625	0.7
353.06879	0.2
361.03506	0.9
361.07489	0.3
363.04947	1.1
363.09003	0.4
365.06604	0.4
369.09808	0.4
373.03525	0.6
374.04236	0.3
377.06561	0.4
379.04111	0.4
379.08307	0.9
381.05856	0.6
381.09937	0.6
383.07620	0.4
387.04904	1.4
389.06595	0.3
391.04483	0.7
395.07635	1.3
405.06125	7.3
406.06390	0.5
407.07712	16.5
408.07938	1.2
413.08768	11.5
414.09006	0.7
417.05838	0.3
423.07205	8.2
424.07971	0.6
425.08798	9.8
426.09161	0.4
431.07639	0.6
433.09268	0.7
435.07056	0.6
447.07297	0.8
449.08759	9.6
450.09225	0.8
451.10422	5.5
452.07678	0.7
453.08023	0.4
455.09702	0.4
457.09106	0.4
465.07715	0.5
467.09750	0.7
525.08362	1.0
531.08923	1.3
533.10181	1.1
543.09424	0.7
544.09631	0.3
549.10541	1.2
557.11029	0.9
559.12415	0.9
561.10333	0.4
567.09265	0.4
569.11047	0.7
575.11938	17.0
576.12469	1.4
577.13538	12.7
578.13959	0.9
585.10364	0.6
587.12140	2.6
616.13470	0.3
617.13000	0.6
619.14551	0.5
629.12579	0.3
651.11584	0.4
661.10236	0.3
669.15021	0.3
683.13489	0.3
693.12445	2.0
695.14032	4.6
696.13708	0.5
701.15033	2.2
702.14563	0.3
705.12341	0.4
711.13666	1.1
713.15161	1.8
737.15247	1.5
739.16669	3.5
740.15863	0.5
813.14752	0.8
821.17786	0.6
831.15417	1.4
847.18634	0.8
849.16931	0.5
857.17596	0.9
863.18311	2.5
864.18951	0.4
865.19855	4.9
866.20380	0.6
875.17517	0.4
907.21027	0.4
912.10596	0.2
965.17786	0.4
983.20392	3.9
984.20483	0.7
1001.21301	1.7
1027.23145	1.6
1135.24841	0.3
1153.25732	2.0
1154.26453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	1.0
83.01392	3.3
83.01890	0.2
83.05042	0.3
85.02969	0.2
85.95152	0.1
89.03978	0.9
91.01903	0.3
91.05584	0.1
93.03462	1.3
95.01367	0.8
95.05035	1.0
97.02946	1.2
99.04505	0.2
103.05569	0.2
105.03442	0.8
107.01371	0.2
107.05048	2.3
108.02190	0.9
109.02960	8.6
115.05534	0.2
115.61106	0.2
117.03472	1.2
119.05042	0.5
120.02187	0.3
121.02953	2.2
122.03757	0.7
122.75664	0.1
123.00921	0.3
123.04530	5.2
124.01680	0.4
125.02455	100.0
126.02775	1.2
129.03419	0.2
130.04263	0.5
131.05048	1.5
132.02197	1.1
132.03018	0.2
133.02962	7.2
133.06633	0.2
133.14542	0.1
134.03731	0.2
135.00890	0.7
135.04529	2.0
137.02455	11.1
138.03258	0.2
139.04024	1.3
143.05031	0.5
145.02992	0.8
145.06529	0.2
146.03726	0.5
147.04544	1.2
148.01660	0.3
149.02443	2.7
149.06096	0.7
150.03207	0.7
151.04016	10.3
154.02747	0.2
155.05029	0.6
157.02899	0.2
157.06587	0.3
158.03748	0.5
159.04524	2.9
160.01656	0.6
160.05283	0.5
161.02454	35.7
161.06042	1.7
161.69678	0.1
162.03214	2.2
163.00383	3.2
163.04010	2.9
164.01169	6.5
165.01944	5.7
167.03528	1.5
167.04930	0.3
169.06563	0.2
171.04506	0.6
173.02449	0.6
173.06087	1.2
174.03220	1.3
175.04008	15.7
176.01167	1.0
176.04503	0.4
177.01930	12.0
177.05460	1.2
178.02635	0.4
179.03510	1.8
183.04550	0.9
184.05247	0.2
185.02438	0.4
185.06064	0.7
186.03268	0.2
187.02321	0.2
187.04013	3.7
188.04776	1.2
189.01941	2.1
189.05536	0.9
190.02705	0.9
191.03525	1.1
193.05060	1.6
196.05293	0.3
197.06091	0.7
198.03214	0.3
199.04015	5.0
199.07628	0.4
200.04686	0.6
201.01959	1.6
201.05597	2.8
202.02725	0.3
202.06345	0.4
202.99869	0.4
203.03519	3.0
203.07141	2.9
204.04161	0.3
205.01443	1.1
205.05058	2.9
206.02153	0.1
207.02878	0.3
209.06047	0.3
211.03993	1.4
212.04732	0.5
213.01987	0.2
213.05583	1.2
214.02748	1.1
215.03529	1.1
215.07126	0.6
216.00742	0.3
216.04315	0.2
217.01439	0.6
217.05051	8.0
218.05449	0.3
219.03000	3.4
219.06400	0.9
221.04523	0.2
221.08192	0.5
223.04033	0.2
224.04782	0.3
225.05573	1.7
226.02750	0.2
227.03519	2.6
227.07143	0.6
228.04257	1.0
229.01497	0.3
229.05087	2.4
230.02081	0.2
230.05759	0.4
231.03004	1.4
231.06628	0.3
232.03668	0.3
233.04465	0.2
235.04036	0.4
237.05559	0.5
239.03467	0.4
239.07068	0.3
240.04256	0.4
241.05087	1.5
242.02110	0.4
243.02988	21.7
243.06499	1.8
244.03548	1.0
245.04533	10.5
245.08192	3.9
246.04945	0.4
246.08699	0.2
247.06064	0.6
249.05576	0.4
251.03450	0.2
251.07205	0.4
253.05070	1.2
253.08862	0.2
254.05832	0.2
255.03004	6.9
255.06596	0.5
256.03751	2.4
257.04520	2.1
258.05029	0.2
259.02521	0.2
259.06091	0.4
261.04028	6.8
265.04926	0.2
266.05710	0.2
267.03015	0.9
267.06638	0.5
268.03964	0.2
269.04565	4.0
270.05136	0.4
271.02435	0.5
271.06076	0.5
273.03989	1.7
273.12311	0.2
277.05334	0.2
278.05923	0.2
279.02979	0.6
279.06372	0.2
280.03598	0.3
281.04523	2.7
282.01669	1.4
282.05011	0.4
283.02490	2.0
283.06094	0.5
284.03091	0.5
285.04071	3.0
285.07321	0.3
286.04770	0.5
287.05621	38.2
288.02777	0.4
288.05951	1.4
289.07190	13.7
290.07529	0.4
291.06552	0.3
293.04718	1.3
293.07962	0.3
294.05374	0.2
295.02496	0.9
295.06174	0.7
297.03995	1.0
297.07593	0.4
298.04874	0.3
299.05615	3.0
300.02863	0.4
300.05945	0.2
301.03470	0.4
301.07208	0.3
303.05112	0.2
305.04480	0.5
307.02423	0.2
307.05923	0.2
308.03461	0.2
309.04123	0.5
309.07681	0.4
311.05640	1.0
313.03537	0.3
313.07135	0.4
315.08939	0.2
317.04449	0.2
319.06100	0.5
321.04007	0.3
321.07648	0.2
322.04672	0.2
323.05508	0.4
327.05078	0.7
327.08572	0.3
328.05756	0.3
329.06720	1.3
331.08368	0.2
335.05505	0.7
337.03510	0.4
337.07169	0.9
339.01401	0.2
339.05084	0.5
339.08698	1.0
341.06769	1.2
347.05481	0.3
351.04977	0.2
351.08850	0.2
353.06650	0.3
359.05576	0.3
361.03467	0.8
361.07025	0.4
363.05075	0.9
363.08969	0.3
365.06772	0.6
367.08301	0.2
369.09726	0.4
373.03302	0.6
374.04504	0.3
375.05121	0.3
377.06659	0.3
379.04260	0.4
379.08649	0.8
381.05420	0.8
381.10611	0.8
383.07681	0.6
387.05130	1.5
389.06622	0.3
391.04446	0.5
395.07721	1.6
405.06094	6.5
406.06534	0.3
407.07700	16.8
408.08154	1.0
413.08774	11.3
414.08911	0.5
417.06177	0.3
419.07736	0.4
421.09357	0.2
423.07205	6.6
424.07468	0.4
425.08783	10.6
426.08957	0.4
431.07553	0.3
433.09116	0.8
435.07111	0.5
437.08646	0.3
447.07034	0.6
449.08789	9.4
450.09177	0.4
451.10394	6.2
452.07687	0.6
453.07986	0.2
457.09204	0.2
459.07684	0.2
465.08154	0.6
467.09991	0.7
505.11493	0.3
513.08276	0.3
515.09930	0.3
525.08282	1.1
531.08936	1.4
533.10858	1.3
535.12805	0.2
541.08691	0.2
543.08862	1.0
549.10394	1.6
550.10510	0.3
557.10822	1.1
559.12775	1.1
561.10345	0.5
567.10107	0.3
569.10992	0.8
575.11932	14.6
576.12207	1.2
577.13513	14.2
577.22949	0.3
578.14026	0.9
585.10480	0.3
587.11963	2.5
617.13025	0.5
619.14301	0.5
629.13123	0.4
651.11365	0.2
669.15967	0.2
677.12897	0.5
693.12561	1.6
694.13568	0.2
695.14142	5.3
696.14844	0.3
701.15088	2.8
702.15295	0.2
705.12830	0.5
711.13745	0.8
713.15131	1.6
714.15521	0.2
737.15472	1.2
739.16638	4.3
740.15680	0.6
755.15723	0.3
805.17676	0.3
813.15222	0.9
821.18024	0.6
831.15613	1.8
845.16498	0.2
847.18524	0.4
849.16516	0.7
857.17114	0.7
863.18518	2.4
864.19244	0.4
865.19885	5.0
866.19678	0.4
875.18555	0.5
907.21075	0.3
939.22687	0.2
957.22650	0.2
965.19342	0.5
983.20435	3.7
984.20978	0.5
1001.20874	1.4
1002.20264	0.2
1027.23230	1.1
1135.24548	0.3
1153.26306	1.7
1154.26147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
69.27892	6.5
69.28317	5.8
71.01388	100.0
72.01731	3.0
72.99309	1.6
74.02448	1.3
87.00891	17.2
107.68720	1.2
115.00379	8.0
115.05952	4.0
116.00687	1.9
116.07182	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.70552	1.5
64.91431	1.5
69.73411	9.0
71.01380	100.0
72.01714	2.1
79.07845	1.5
87.00880	3.6
98.20538	2.8
115.00365	12.2
115.05902	2.0
128.24713	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	115.0765
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
69.57012	10.2
69.57442	13.3
78.25494	3.7
80.60355	3.4
97.93129	7.4
98.19901	7.2
114.93428	13.6
115.07645	100.0
116.05082	5.5
116.07977	4.9
122.66558	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	1151.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02659	0.3
81.03445	2.4
83.01381	5.5
83.05000	0.3
85.02936	0.6
87.00874	0.4
89.02454	0.8
93.03458	2.3
95.01391	1.7
95.05012	2.3
97.02950	6.7
97.19317	0.2
99.04475	0.4
101.02444	0.8
102.40485	0.3
107.05042	0.9
108.02187	1.9
109.02952	20.5
109.06581	0.4
110.03250	0.4
115.00332	0.3
117.03485	0.5
119.05033	0.4
121.02956	4.7
122.03732	1.2
123.00887	0.6
123.04526	13.3
123.08195	0.3
124.01617	0.4
125.02446	15.3
125.09696	0.4
131.05028	0.6
133.02956	1.1
133.06598	0.3
134.03778	0.3
134.47978	0.2
135.00917	0.5
135.04541	2.4
137.02446	17.6
138.03247	0.6
139.04012	4.5
143.05011	0.5
145.02971	1.6
146.03767	2.1
146.85799	0.3
147.04518	1.0
148.01761	0.3
149.02437	5.4
150.03166	0.9
151.04004	7.5
157.06593	0.9
158.03711	0.7
159.04501	5.2
160.05293	1.9
161.02432	3.8
161.06065	7.2
162.03238	2.6
163.00365	1.7
163.04027	1.5
164.01141	5.6
165.01924	5.4
165.05582	0.4
166.02722	0.6
167.03503	2.4
172.05302	0.3
173.02464	0.5
173.06114	1.4
174.01717	0.2
174.03210	1.1
175.04002	3.3
175.07646	2.7
176.01067	0.9
177.01926	2.3
177.05563	1.0
178.02682	0.5
179.03491	7.0
179.14284	0.3
183.08139	0.2
184.05289	0.3
185.06036	1.4
187.04001	6.5
188.04782	5.4
189.05539	0.5
199.07666	0.8
201.05569	1.2
201.09262	0.3
202.06363	2.3
203.03426	0.9
203.07138	17.4
205.05045	11.2
206.05328	0.3
207.10188	0.5
212.04832	0.9
217.05057	0.5
217.08775	0.7
221.08192	2.4
223.13422	1.2
225.11371	0.3
227.07176	3.1
229.05084	0.6
230.05750	0.6
231.03012	1.5
242.66696	0.3
245.08171	20.7
246.08521	0.7
247.06148	1.7
255.23276	4.1
265.14465	0.5
271.06097	1.1
273.11423	0.5
289.07178	68.5
290.07498	2.9
291.12521	0.4
301.10864	0.4
435.18295	0.5
459.70010	0.3
497.18295	1.2
539.46649	0.3
540.26086	0.3
828.17273	0.3
945.50079	0.7
999.51593	6.7
1000.52197	1.1
1089.56848	0.4
1107.54761	1.6
1108.55774	0.5
1121.55408	0.4
1133.55420	6.0
1134.55542	1.5
1151.56409	100.0
1152.56628	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	114.0561
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.59764	0.5
61.13021	0.5
66.03474	2.2
66.93179	0.5
68.99558	2.4
69.99908	1.4
70.89575	1.3
71.01381	3.5
86.02476	1.7
87.00896	0.8
89.06306	0.5
112.04087	0.7
114.05605	100.0
114.93382	0.6
115.05953	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	114.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29090	0.6
59.01366	1.3
60.53859	0.6
65.26068	0.6
66.03485	3.0
70.70908	0.6
71.01385	6.0
86.02480	2.1
87.00881	10.4
98.20734	0.8
101.74280	0.9
107.97639	0.7
113.30585	0.7
114.05606	100.0
115.05956	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	1141.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	0.3
85.02953	0.9
89.02454	1.7
89.25454	0.1
93.03446	0.3
101.02444	0.4
103.01903	0.3
103.03994	0.1
109.02940	0.5
113.02391	0.3
117.03454	7.1
119.05026	0.2
121.02979	0.2
123.04522	0.3
125.02450	2.8
131.01401	1.8
131.05156	0.1
133.02956	0.3
135.04509	0.3
137.02484	0.7
139.03992	0.1
145.02930	0.3
149.02419	0.3
151.04025	0.3
159.04475	0.4
161.02435	1.8
161.06107	0.2
163.00391	0.3
163.04039	0.8
165.01878	0.3
167.03394	0.1
173.02440	4.1
174.02652	0.1
175.00363	8.2
175.03944	0.3
176.00696	0.2
177.01894	0.4
177.05627	0.1
182.03574	0.1
183.04448	0.1
185.02374	0.3
187.04021	0.2
189.01859	0.2
193.01440	0.2
193.06548	0.3
203.03465	0.2
203.07162	0.3
205.01378	0.2
205.05067	0.2
209.05998	0.3
211.04039	0.1
211.07712	0.1
213.05518	0.1
215.68755	0.1
221.06049	0.4
221.08075	0.1
225.05583	0.1
227.03447	0.1
237.05569	0.4
239.07144	0.3
241.05063	0.2
245.04474	0.2
245.08131	0.4
249.05556	1.0
251.03522	0.2
253.05075	0.5
254.05710	0.3
255.02940	0.3
265.05090	0.7
267.06702	0.1
268.03821	0.4
269.04544	3.3
270.04831	0.2
279.06659	0.2
281.04578	3.2
282.05316	2.5
283.06104	5.2
287.05588	0.4
289.07144	1.7
291.06628	0.1
293.04550	100.0
294.04901	4.8
295.06049	1.6
297.04031	0.3
299.05591	0.2
307.05917	0.2
309.04050	0.5
309.07367	0.2
310.04803	0.2
311.05597	9.9
312.05975	0.6
314.04288	1.7
321.04126	0.2
322.04880	0.1
323.05557	3.5
324.05893	0.2
325.07062	0.3
335.05594	1.5
337.07291	0.2
341.06650	3.5
342.06934	0.3
353.06738	0.9
355.08075	0.3
358.53571	0.1
365.06564	0.2
377.06668	0.1
407.07657	1.4
408.07800	0.2
413.08752	27.6
414.09201	1.5
425.08835	1.6
431.10306	0.6
432.10135	0.2
443.09988	1.0
451.10538	0.6
457.11359	1.1
540.85846	0.1
563.14032	55.8
564.14386	4.5
577.15570	37.2
578.15839	3.2
624.34998	0.1
740.16302	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	1139.6134
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.2
83.01381	0.1
83.05064	0.1
83.56380	0.1
85.02945	0.1
89.02478	0.1
101.02459	0.2
107.01423	0.2
110.66486	0.1
113.02442	0.1
125.02459	0.2
131.69592	0.1
132.02255	0.1
143.86606	0.1
149.02399	0.2
151.00366	0.3
153.05479	0.1
183.04507	0.2
187.03865	0.1
225.16176	0.1
227.03455	0.3
255.02997	51.9
256.03424	2.5
268.03772	0.6
269.04541	2.6
270.04941	0.1
281.04575	0.4
283.02493	35.2
284.03229	8.0
285.03998	1.8
297.04056	8.3
298.04819	12.3
299.05603	7.5
299.09198	0.1
300.05966	0.3
311.06030	0.1
313.03561	3.3
313.07199	0.2
314.04080	0.1
326.04367	0.2
327.05038	0.5
341.06714	0.4
371.07349	0.1
446.08560	24.1
447.08942	1.1
461.10901	100.0
462.11267	5.9
462.16211	0.1
628.97321	0.1
677.49774	0.9
678.50195	0.9
679.50000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
63.96696	2.2
67.01893	87.7
68.02238	3.2
70.63396	6.8
74.97822	2.5
78.79974	2.4
78.95893	4.7
83.01400	12.2
90.34243	2.2
102.19022	2.3
110.97599	6.4
111.00887	100.0
112.01218	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
52.08150	2.5
59.30638	2.4
67.01894	81.3
68.02232	3.1
68.29206	2.6
69.91757	9.4
69.92175	4.7
80.14208	3.0
83.01402	6.0
84.04556	3.1
106.31555	2.4
106.43188	2.4
111.00883	100.0
113.57403	2.3
116.12173	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	112.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03459	4.7
66.03484	3.2
68.99591	4.6
69.03467	1.3
71.01383	0.7
71.08076	1.6
83.01398	1.0
84.99323	7.2
85.02960	10.9
86.02486	1.2
87.25249	0.9
107.50863	0.8
112.98824	11.6
113.02454	8.6
113.03580	1.9
114.05611	100.0
116.27599	0.7
119.73289	0.8
127.37501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	0.1
83.01384	4.1
94.90630	0.1
97.87195	0.1
98.20612	0.2
103.38107	0.1
107.01390	17.5
107.05048	0.2
108.02243	0.5
108.99328	0.2
109.02967	1.3
117.03437	0.1
124.01727	0.1
125.02444	4.3
128.07880	0.1
131.24855	0.1
133.02977	0.3
134.03757	1.3
135.04523	64.7
136.01645	0.4
136.04855	1.6
137.02428	0.1
151.00363	100.0
152.00696	1.7
159.04514	0.4
161.02440	1.1
164.01147	0.6
165.01926	0.5
169.01414	0.8
174.03145	0.2
177.01971	0.8
196.00139	0.5
199.03989	0.2
201.01926	0.2
201.05542	0.1
210.34595	0.1
215.03406	0.1
225.05528	0.2
269.04456	0.6
285.03873	0.3
287.05597	61.3
288.05957	2.4
297.09753	0.9
299.05396	0.1
300.02817	0.1
323.07657	0.2
327.05075	0.4
328.05405	0.2
357.06128	0.1
404.62506	0.1
447.09302	0.3
448.09454	0.3
449.10861	70.1
450.11209	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	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40253	2.7
55.01870	8.2
56.85626	2.5
67.01891	79.8
68.02213	2.5
70.37188	2.5
71.04588	4.2
83.01385	22.0
98.62630	2.5
110.97552	3.8
111.00886	100.0
112.01187	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27710	2.5
67.01891	85.3
68.02218	5.1
71.08236	3.8
71.27555	2.2
78.95934	2.4
80.68221	2.4
83.01409	4.8
92.98329	2.2
110.97571	7.4
111.00884	100.0
112.01231	4.6
116.94218	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	1097.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	1.0
79.58574	0.7
81.03482	0.8
83.01413	1.6
83.05053	1.2
84.18369	0.7
85.02951	3.6
87.00874	33.8
88.01247	1.0
89.02447	3.2
95.01383	1.2
96.96023	2.1
97.02969	1.1
99.00890	1.5
101.02458	5.0
109.02931	1.8
111.00857	1.4
113.02425	4.2
115.00375	44.7
116.00715	2.2
119.03477	1.5
125.02457	3.2
127.00365	1.4
127.04012	1.3
128.27573	0.7
134.22838	0.8
134.96811	0.9
135.02986	2.3
139.00348	1.3
143.03510	1.4
157.01433	1.0
161.04538	0.8
165.01855	0.7
169.05093	0.9
169.12364	1.8
171.10280	6.2
175.02475	100.0
176.02789	7.5
177.02963	2.4
193.12273	1.1
195.13908	1.2
197.11806	9.4
202.12080	0.9
207.10330	1.0
209.11780	5.1
217.31248	0.7
221.06747	0.9
221.11731	1.8
223.13286	1.0
225.11327	0.8
237.11475	0.9
239.12941	2.2
241.14532	1.5
245.11946	1.4
251.12772	0.8
253.14352	0.9
267.12305	2.7
277.21774	12.6
285.13519	5.1
379.12607	1.7
397.13397	4.4
415.14511	1.9
471.36780	0.9
665.26361	1.3
683.27618	1.7
829.44867	1.0
899.47974	0.9
921.48773	1.4
923.46667	3.2
924.47278	0.9
925.47223	3.1
927.49030	1.6
939.46967	2.2
941.47186	6.7
942.48065	1.9
943.49017	47.1
944.49542	5.7
955.48822	1.5
965.47852	1.1
973.50079	1.8
983.48480	13.8
984.48242	1.5
1001.49518	3.7
1061.50867	0.9
1097.51501	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	1074.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03447	2.2
83.01390	4.0
87.00847	0.8
93.03455	2.0
95.05013	2.3
97.02943	4.8
98.19871	2.2
108.02134	1.3
109.02946	14.8
111.04520	1.1
121.02962	3.1
122.03795	0.8
123.04516	8.5
125.02448	11.7
128.03526	2.0
133.02911	1.0
135.04527	1.8
137.01463	1.0
137.02444	13.2
138.03191	0.9
139.03987	2.4
143.04634	1.6
145.02888	1.1
146.03719	1.0
149.02411	4.0
151.04004	7.7
159.04555	4.1
160.05319	1.1
161.02461	3.4
161.06065	5.4
162.03220	2.6
163.03955	1.2
164.01155	4.2
165.01851	3.6
167.03485	1.3
175.02632	1.3
175.04007	2.5
175.07646	2.4
177.01926	2.4
177.05518	0.9
179.03474	4.8
185.06133	0.9
187.04013	6.0
188.04828	3.9
202.06247	1.3
203.07118	12.6
205.05055	9.3
217.08748	1.1
221.08176	2.2
223.13399	0.9
227.07086	1.9
229.52176	0.8
231.02946	1.4
245.05736	1.3
245.08183	18.7
272.08890	1.8
277.21677	2.8
289.07172	50.0
290.07465	1.8
304.76974	0.7
563.41357	0.7
646.69122	0.7
694.53363	0.8
859.45831	3.5
993.48273	3.4
1011.49573	100.0
1012.50055	13.6
1040.44312	0.9
1074.54456	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	1061.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	12.5
78.95883	0.7
81.03449	1.8
83.01394	2.8
85.02938	6.3
87.00876	46.7
88.01199	1.3
89.02448	5.9
95.01384	1.5
95.05028	1.2
97.02940	3.4
99.00874	2.7
99.04503	1.3
101.02435	8.2
107.04936	0.6
108.02141	0.8
109.02956	2.8
111.00875	1.2
111.04544	1.2
112.98817	0.9
113.02437	5.6
115.00374	54.6
115.03990	0.7
116.00699	2.4
117.01902	0.6
119.03481	1.5
123.04503	2.6
125.02448	3.4
127.00299	0.8
127.03992	3.1
127.92368	0.7
128.03528	0.7
129.01942	1.2
135.03009	2.0
139.04012	0.9
143.03622	1.0
143.04630	1.1
151.03940	0.6
151.41588	0.6
157.01447	1.1
161.04562	1.3
169.05095	2.2
169.12347	2.9
171.03030	0.6
171.10266	15.1
175.02469	100.0
176.02808	5.8
177.02914	2.5
179.05582	1.3
181.12358	0.6
185.11786	0.7
191.05594	1.6
193.12344	1.9
195.13913	2.2
197.11827	16.2
207.10271	1.2
209.11858	1.1
211.13307	0.9
221.06606	1.2
221.11815	2.3
223.13393	2.4
225.11206	0.8
227.12874	0.9
231.05095	1.3
235.08180	1.3
235.13409	2.1
237.11281	0.6
237.15067	0.8
239.12845	4.8
241.14467	3.4
245.11870	2.6
253.14455	0.7
259.20850	0.6
263.12860	1.7
267.12338	4.7
269.13748	0.7
277.21713	23.2
285.13449	8.0
297.13516	1.5
306.07846	2.6
349.58658	0.6
379.12402	2.6
397.13446	9.7
403.19977	1.0
415.14624	3.1
491.16388	0.7
551.23694	1.3
568.38861	0.6
569.24329	1.2
628.57367	0.6
657.35107	1.1
665.26422	4.0
675.36206	1.7
683.27637	3.0
800.50439	0.6
829.46814	0.9
879.46777	1.0
899.47052	2.6
909.48767	1.2
921.47485	2.8
925.48279	1.5
927.49463	2.3
937.49933	0.7
939.46838	3.5
940.46912	0.9
941.47632	6.0
943.49066	59.2
944.49487	7.0
953.48346	0.9
955.48425	1.5
957.49542	0.9
965.47180	3.8
966.48633	0.7
973.49945	2.3
983.48346	14.5
984.48633	1.6
999.51294	1.0
1001.49298	3.2
1025.48535	0.9
1043.50574	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	1061.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
78.83287	1.1
83.05017	1.5
85.02951	11.7
87.00893	1.4
93.03463	25.3
103.54076	1.3
108.02181	2.6
109.02953	9.0
111.00942	1.4
111.04543	5.2
115.00378	3.9
121.02965	1.9
123.04498	1.2
127.04019	2.6
133.02921	1.4
134.03734	2.5
135.04536	52.1
136.04854	2.1
137.02432	5.4
140.67575	0.9
142.47623	0.9
146.03720	0.9
148.05283	1.0
149.06099	2.1
152.40886	0.9
155.03529	4.1
161.02470	2.0
161.06084	4.1
163.07568	1.3
165.59396	0.9
173.04553	83.8
173.97855	1.0
174.04880	2.8
175.03998	1.0
177.24168	1.0
179.03506	43.6
191.05620	91.3
192.05939	2.8
226.06436	1.2
241.04935	1.3
242.05843	12.8
243.06596	14.7
269.07977	1.2
271.09790	21.8
272.10312	1.1
289.05612	1.4
297.07672	1.8
316.29282	0.9
353.08777	100.0
354.09155	5.3
359.07733	14.8
463.10913	2.1
533.12988	27.2
533.20844	1.8
707.18298	56.4
708.18604	5.7
750.28015	1.3
842.98828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
75.06607	0.2
81.03465	0.6
83.01357	0.3
83.05019	0.8
85.02953	7.4
85.03467	0.4
87.00880	1.7
93.03459	14.5
98.19846	0.4
99.00860	0.3
99.04523	0.5
108.02170	4.2
109.02954	11.0
111.00880	0.4
111.04520	3.1
113.02441	0.3
115.00373	9.2
117.01965	0.3
120.19496	0.2
121.02972	1.2
122.03734	0.5
123.04517	1.2
124.01672	0.4
125.02447	0.3
126.60168	0.2
127.03999	2.4
133.02948	0.7
135.04520	3.6
137.02457	1.7
146.03748	0.3
147.04495	0.7
148.05270	1.1
149.06082	2.3
150.03246	0.2
153.01921	0.2
155.03496	2.3
159.04491	0.6
161.06073	3.6
162.06784	0.5
163.07635	0.6
171.02983	0.6
173.04544	42.5
174.04875	1.2
175.03929	1.0
176.04750	0.3
177.05524	0.7
179.03488	1.4
185.06061	0.5
187.03983	0.8
188.04697	0.3
191.05606	100.0
192.05952	2.4
193.06065	0.3
196.27518	0.2
197.06133	0.3
203.03458	0.5
213.05595	1.1
219.72932	0.2
225.05594	0.4
226.06369	0.3
229.01392	0.7
241.05054	2.9
242.05840	17.1
243.06549	6.6
244.06912	0.4
245.47485	0.2
251.07164	0.2
253.08784	0.4
267.06613	0.6
269.08182	1.6
270.62833	0.2
271.09738	27.3
272.10062	2.1
279.06522	0.3
282.05383	0.5
289.05627	3.4
297.07639	4.1
315.08710	1.7
321.60028	0.2
335.27408	0.2
340.05228	0.3
341.06598	1.6
353.08630	1.3
354.09225	0.2
359.07706	15.0
360.08084	0.6
463.10931	9.4
464.11331	0.3
465.12207	0.5
489.13998	3.9
491.65167	0.2
515.12048	0.6
533.13007	35.9
534.13226	3.2
535.13928	0.4
637.41327	0.3
705.16821	0.3
707.18256	54.5
708.18634	5.6
709.18799	0.5
869.20996	0.3
987.62573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01340	0.2
89.02465	0.2
93.03505	0.3
93.75326	0.2
101.02420	0.3
105.03497	0.3
107.01402	0.3
109.02975	1.3
117.03488	0.4
119.04967	0.3
121.02948	0.4
125.02439	1.0
131.01387	0.7
133.02957	10.8
135.00932	0.3
135.04523	0.5
137.02512	0.3
145.02962	0.3
147.04497	0.4
149.02423	0.9
156.47282	0.2
161.02454	0.9
163.00386	1.5
163.03946	1.4
165.01947	0.7
171.04578	0.2
173.02444	1.6
173.20601	0.3
175.00369	4.2
175.03992	1.4
177.01978	0.7
185.02550	0.2
191.03514	0.8
193.01421	0.8
198.03214	0.4
199.04012	0.8
201.01900	1.2
203.03526	0.6
209.06085	0.5
210.74536	0.2
211.04016	0.4
213.05556	0.6
215.03448	0.3
223.04060	0.2
225.05606	0.6
227.03601	0.4
231.06616	0.3
235.03976	0.4
236.04695	0.3
237.05571	0.9
239.03448	0.4
240.04234	0.3
241.05058	0.6
243.03015	0.4
251.03459	0.3
253.05086	1.2
255.02974	0.7
255.06677	0.7
257.04425	0.3
259.05991	0.3
265.05057	1.5
267.02972	1.7
269.04568	0.8
270.05185	0.3
279.34488	0.3
281.04633	0.9
284.03244	4.9
285.04037	5.9
286.04507	0.4
291.02988	0.6
293.04544	0.2
295.57040	0.3
297.04050	12.4
298.01324	0.4
298.04791	9.3
299.05582	9.7
300.05731	0.6
309.04047	59.9
310.04398	3.0
311.05530	2.6
324.02582	0.5
325.03574	0.6
326.04156	0.4
327.05093	60.4
328.05493	2.7
339.05051	3.7
340.05582	0.4
341.06732	0.6
351.04965	0.6
353.06360	0.3
357.06165	29.1
358.06415	1.2
365.06656	0.3
369.06125	2.2
393.06049	1.4
411.07156	0.3
429.08270	13.3
430.08600	0.8
447.09323	8.5
448.09531	0.5
449.10745	0.8
489.10394	12.0
489.17505	0.6
490.10822	0.9
609.14612	100.0
610.14966	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	1045.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	0.9
83.05036	0.8
85.02956	2.8
87.00874	0.8
93.03462	25.1
94.03794	0.5
105.03742	0.3
107.05042	0.6
108.02197	0.2
109.02945	2.4
111.00909	1.0
111.04528	5.1
113.02499	0.4
119.05030	5.0
125.02459	0.5
127.04025	0.8
133.02943	0.7
134.03755	1.8
135.04532	38.8
136.04861	1.2
137.02444	4.9
155.03511	4.3
159.04480	0.3
161.02458	1.8
161.06079	0.4
163.04010	4.6
173.04552	100.0
174.04890	2.8
179.03505	33.8
180.03903	1.1
191.05617	23.0
192.05936	0.6
227.07187	0.4
239.07149	0.4
255.10257	8.0
256.10901	0.3
281.08148	0.3
299.09225	0.9
325.07129	1.1
337.09290	15.9
338.09705	0.8
343.08240	2.9
353.08774	51.3
354.09082	2.3
355.09644	0.3
378.25299	0.3
411.47025	0.2
417.19409	0.3
473.14700	1.4
517.13495	22.7
518.13666	1.9
691.18793	26.1
692.19336	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	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01376	30.3
65.24608	1.1
66.71238	1.1
71.17106	2.0
72.99306	89.8
73.99643	2.2
75.00871	22.6
80.07539	1.3
105.01930	100.0
105.63992	1.2
106.02248	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	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66384	1.6
51.03649	1.6
53.90861	1.7
54.53264	1.5
59.01380	27.8
62.21924	1.9
67.00211	1.6
70.16935	3.7
70.17317	4.0
72.99309	92.0
75.00877	24.9
83.70251	2.0
105.01936	100.0
106.02323	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	1044.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02475	9.4
81.02051	0.4
81.04601	0.8
82.02993	1.2
84.00890	0.5
85.02941	0.4
85.04071	0.5
86.02490	3.5
86.06101	0.7
86.99090	1.2
87.05659	2.2
89.02427	0.7
90.00181	1.0
97.04066	1.5
98.20683	0.6
99.05647	9.4
101.02410	0.6
101.07201	1.2
102.05609	1.2
107.06136	0.5
107.61337	0.4
109.04089	2.1
111.05639	1.0
112.04057	1.6
113.02472	0.6
122.23518	0.4
123.05645	1.4
124.04015	0.4
125.02440	0.6
125.03555	1.7
125.09650	0.4
127.05151	3.5
128.03548	28.3
129.99635	0.4
131.04649	0.6
135.05658	3.0
137.07253	0.9
141.06700	2.3
143.04626	36.1
144.04987	0.7
145.06226	1.7
146.04617	3.3
149.07210	0.6
153.06705	3.3
155.08203	0.4
160.00749	10.0
161.09790	0.4
166.09859	1.7
167.04640	3.5
167.08264	1.5
170.03268	0.5
177.03360	2.8
179.04631	8.1
179.10783	0.5
180.07849	0.4
181.06151	1.2
184.10863	0.6
185.05688	1.0
192.07773	0.7
197.05692	1.4
197.11830	14.4
198.08821	0.6
210.08827	7.9
213.03445	0.4
216.91585	0.4
223.09842	0.6
228.09918	0.4
241.10628	0.4
242.07800	1.1
254.07837	9.0
272.08878	16.8
273.09351	0.5
277.21701	5.2
286.10455	0.5
288.06583	5.3
289.07196	0.4
306.07654	100.0
307.07840	2.8
320.09250	4.6
566.15100	0.4
737.41199	34.4
738.41620	3.6
1044.49963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02473	10.8
81.04588	0.7
82.02981	1.1
83.04968	0.4
84.04543	0.7
85.04063	0.5
86.02488	3.1
86.06109	0.3
86.99105	0.9
87.05637	2.6
89.02425	0.6
90.00204	0.9
95.01366	0.4
97.04080	1.6
99.05644	8.4
100.00414	0.4
101.02419	0.4
101.07190	1.4
102.05608	1.6
107.06125	0.7
109.04075	1.5
109.07705	0.3
111.05618	0.9
112.04028	0.9
113.03551	0.6
116.01740	0.8
120.01282	0.5
120.04482	0.3
123.05647	0.9
124.04028	0.5
125.03586	1.4
126.01949	0.4
127.04240	0.3
127.05126	1.8
128.03543	26.6
129.54875	0.3
129.99689	0.6
131.04634	0.9
135.05675	3.1
137.07190	0.5
139.05104	0.4
141.06699	2.3
143.04625	35.1
144.04965	0.4
145.06169	1.1
146.04597	2.7
147.13828	0.3
149.07146	0.4
153.06708	2.7
155.08237	0.5
160.00749	8.7
160.02094	0.5
161.09709	0.4
165.44609	0.2
166.09827	1.2
167.04626	2.8
167.08295	1.5
170.03310	0.6
171.04147	0.5
171.07770	0.5
177.03368	2.7
179.04622	7.4
179.10773	0.8
180.07857	0.3
181.06133	0.8
184.10924	0.4
185.05614	1.2
192.07780	1.0
195.99718	0.3
197.05685	1.1
197.11830	7.2
198.08839	0.9
210.08853	7.7
211.09184	0.4
228.09840	0.5
231.04593	0.4
242.07874	0.8
254.05116	0.4
254.07808	8.3
272.08878	15.8
273.09106	0.6
277.21701	12.0
278.22125	0.7
288.06601	5.3
306.07651	100.0
307.08017	3.0
312.33932	0.3
315.60632	0.3
320.09198	1.8
393.48044	0.3
402.39404	0.3
465.31058	0.3
472.75919	0.4
737.41162	33.2
738.41644	3.7
1044.52515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
72.97696	0.2
77.03981	0.4
79.01897	0.5
81.03445	0.2
83.01389	0.5
89.02451	0.6
97.02926	0.4
101.02441	0.5
105.03452	0.5
107.01393	0.7
109.02966	2.6
117.03471	0.8
119.05021	0.9
121.02969	1.5
123.00872	0.2
123.04496	0.3
125.02499	1.4
131.01407	0.2
132.02182	0.5
133.02962	11.7
134.03784	0.4
135.00832	0.3
135.04507	1.5
137.02495	0.5
145.03024	0.3
147.04520	0.9
149.02454	1.6
151.00310	0.6
151.04028	0.9
161.02406	1.4
162.03290	0.2
163.00359	2.0
163.04042	3.2
165.01949	1.5
171.04556	0.3
173.02414	0.5
175.00351	0.9
175.04004	3.4
177.01901	1.0
185.06020	0.4
187.03998	0.4
187.07387	0.2
189.01955	0.5
189.05646	0.4
191.03502	1.8
193.01357	1.5
198.03210	0.6
199.04008	1.7
199.07642	0.3
201.01932	1.3
203.03513	0.4
211.04051	0.5
212.04836	0.4
213.05600	1.2
215.03496	0.6
217.05110	0.3
225.05576	1.2
226.02669	0.3
227.03502	0.9
227.07133	0.5
229.01408	0.3
229.05013	0.3
231.06659	0.4
237.05589	0.5
240.04155	1.1
241.05145	0.6
243.02852	0.4
243.06628	0.3
244.14223	0.2
251.03596	0.3
253.05121	1.1
255.02974	1.0
255.06651	0.9
256.03760	0.6
257.04538	0.6
269.04562	1.8
270.05374	0.3
271.05942	0.4
281.04623	1.4
282.05298	0.5
283.06140	0.7
284.03271	10.2
285.04053	8.2
293.04575	7.9
295.06091	0.5
297.04062	15.3
298.04816	8.2
298.07373	0.1
299.05621	17.8
300.05923	0.6
309.04111	1.2
311.05615	3.4
323.05646	0.5
324.02637	0.8
325.03516	0.9
327.05103	100.0
328.05429	4.2
339.05194	3.6
341.06644	1.3
353.06659	0.5
357.06177	24.7
358.06433	1.3
365.06467	0.4
369.06104	2.6
381.06415	0.3
393.06186	1.2
405.35803	0.2
411.07199	0.4
413.08932	2.2
447.09335	82.2
448.09711	4.5
513.24066	0.2
593.15143	10.4
594.15784	0.8
907.59070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	7.8
73.02954	3.1
75.00877	19.7
81.03490	2.1
83.01389	3.7
83.05042	1.0
85.02946	8.3
87.00880	46.0
88.01199	1.6
89.01317	1.3
89.02445	11.3
90.24403	0.9
95.01395	1.6
95.04999	1.3
97.02968	3.6
97.06583	1.0
99.00880	3.3
101.02457	11.4
109.02947	3.8
113.02480	6.4
115.00377	62.6
116.00726	3.3
116.92843	1.2
118.38755	0.9
119.03506	3.5
123.04504	4.7
125.02462	4.6
126.90455	1.1
127.04012	3.7
127.11327	1.0
135.02983	1.6
143.03464	1.0
151.03987	1.4
161.04530	1.7
169.05052	3.0
169.12373	1.6
171.10304	17.5
175.02481	100.0
176.02824	10.2
177.02966	3.5
177.12933	1.1
179.05569	2.1
183.01169	1.6
190.22827	0.9
193.12366	1.9
195.13867	3.4
197.11819	10.2
209.11821	2.0
211.13428	1.2
221.11789	2.2
223.13348	1.9
231.05060	1.6
235.08183	2.9
239.12935	4.8
241.14502	2.0
255.23299	40.4
256.23648	2.2
267.12289	4.8
285.13419	12.2
289.07159	2.3
291.19714	2.9
297.15460	2.3
311.16806	2.5
379.12524	3.0
397.13480	13.8
415.14600	4.1
425.30563	1.1
542.60974	1.1
551.23230	1.4
653.37537	3.9
665.26337	4.0
857.49127	1.4
877.47632	2.4
899.49573	3.1
903.49976	2.1
905.50055	3.7
917.48041	3.9
919.49042	12.3
920.50208	1.5
921.50702	63.6
922.50739	8.5
933.51080	1.7
935.50458	2.1
943.48047	3.0
951.50989	2.9
959.51721	1.4
961.50232	15.1
962.49945	2.8
977.52032	1.6
979.50897	4.2
1021.51013	1.4
1024.60205	1.2
1039.52246	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	1030.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50727	74.1
72.94630	44.8
77.27338	45.9
77.74408	41.7
87.90262	42.8
106.15372	41.8
116.92866	100.0
178.55318	43.8
192.26205	40.4
221.79207	43.0
245.66161	39.4
473.58759	45.9
485.91132	51.1
570.74500	59.4
594.43134	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	1037.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	2.4
73.02948	1.2
83.01393	1.0
85.02949	1.6
87.00879	46.0
88.01196	0.6
89.01106	0.3
89.02437	0.9
93.03420	0.3
97.02927	0.6
99.00900	0.7
99.92551	0.6
101.02438	1.4
109.02937	0.7
112.98792	1.1
113.02451	1.5
115.00375	55.1
116.00714	0.5
116.92876	1.9
117.92881	0.7
118.92693	0.4
119.03474	0.3
125.02462	0.5
125.09727	1.3
127.00360	0.7
129.01920	0.5
135.02997	0.6
157.01501	0.6
161.04268	0.3
175.02473	100.0
176.02814	1.7
183.01155	0.4
191.17712	0.3
209.11818	1.5
221.11781	0.6
232.15834	0.3
239.12798	0.4
255.23288	4.3
314.62399	0.4
379.12595	0.4
397.13477	1.2
697.44482	0.4
823.46680	1.4
901.47705	1.1
903.50012	1.9
919.48987	0.9
933.50769	1.0
941.48328	0.5
975.51483	0.8
1001.49506	1.2
1019.50970	2.9
1037.52209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00918	0.4
74.02474	8.9
81.04602	0.4
82.02981	1.0
82.38991	0.2
84.00939	0.2
84.04547	0.3
85.04104	0.3
86.02488	2.8
86.06129	0.4
86.99097	1.0
87.05636	1.7
88.04065	0.3
90.00192	0.7
95.02474	0.2
96.04547	0.4
97.04072	1.1
98.02446	0.2
99.05641	7.1
99.92599	0.2
100.00442	0.3
100.05965	0.2
101.07199	1.2
102.05614	1.3
107.06190	0.6
109.02964	0.2
109.04070	1.5
109.07729	0.4
111.05647	0.7
112.04050	0.8
113.03601	0.3
116.01765	0.7
116.92854	0.8
121.04048	0.2
123.05650	0.7
124.04025	0.5
125.03560	0.9
126.04389	0.2
127.05151	1.4
128.03542	22.8
129.03918	0.3
129.99727	0.4
131.04640	0.3
135.05650	2.3
137.07187	0.3
139.05197	0.2
141.06708	1.8
143.04625	29.0
144.01285	0.2
144.04973	0.4
145.06187	1.5
146.04601	2.6
149.07199	0.3
153.06708	2.6
155.08304	0.3
160.00748	9.2
166.09845	1.4
167.04619	2.1
167.08273	1.1
170.03322	0.4
171.04123	0.3
171.07768	0.4
171.95761	0.2
177.03406	3.4
179.04623	7.6
181.06197	0.8
184.10915	0.5
185.05630	1.0
191.88852	0.2
192.07803	0.8
197.05598	1.0
198.08881	0.4
209.11836	0.5
210.08842	6.6
213.03325	0.4
222.58585	0.2
228.09865	0.5
231.04607	0.3
242.07825	0.8
254.05092	0.2
254.07823	8.9
272.08875	15.4
273.09140	0.5
277.21692	0.6
288.06616	6.4
289.06885	0.2
306.07648	100.0
307.07962	3.6
308.07315	0.2
353.44202	0.2
538.97913	0.2
771.54535	0.2
915.67218	0.2
1012.51233	0.4
1030.51782	3.9
1031.51331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	20.7
81.05843	7.0
84.47833	5.4
89.02430	12.0
101.02451	9.9
113.07083	6.5
116.92869	7.4
125.09701	6.4
131.73355	7.0
134.09715	11.5
141.67410	6.6
229.84532	9.0
243.64133	7.0
255.23308	46.6
277.21869	7.2
289.18066	9.0
318.20856	11.0
330.20712	35.1
397.13339	7.2
600.67816	7.1
998.56702	7.9
1010.56616	12.2
1028.58057	100.0
1029.57898	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	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00906	0.7
74.02473	9.0
81.04556	0.5
82.02967	1.1
84.04554	0.4
85.04086	0.3
86.02473	3.1
86.06103	0.7
86.99098	1.0
87.05621	1.9
88.04052	0.5
90.00180	0.4
92.59258	0.2
96.04576	0.3
97.04071	1.1
99.05647	7.7
100.02265	0.3
101.07201	1.5
102.05592	1.5
107.06132	0.5
109.04078	1.9
110.06083	0.4
111.05631	0.8
112.04034	0.9
116.01741	0.6
116.39752	0.2
119.61729	0.2
120.01289	0.3
123.05637	1.0
124.04002	0.6
125.03582	1.3
126.01956	0.4
127.05119	1.7
128.03540	23.2
129.03868	0.3
129.99648	0.4
130.03775	0.2
131.04588	0.3
132.63710	0.2
135.05641	3.3
137.07191	0.7
141.06714	1.6
143.04619	29.5
145.06168	1.4
146.04614	2.3
149.07245	0.4
153.06689	2.3
155.08134	0.3
160.00739	8.8
166.09822	1.5
167.04622	2.0
167.08252	1.2
170.03358	0.5
171.04068	0.3
171.07686	0.5
177.03404	3.1
179.04623	7.2
179.06113	0.5
180.04991	0.2
180.07845	0.4
181.06215	0.8
184.10846	0.7
185.05687	0.9
192.07759	0.7
197.05656	1.0
198.08833	0.3
209.11850	1.0
210.08838	7.6
213.03311	0.5
228.09772	0.3
240.61743	0.2
242.07866	0.6
254.07823	8.6
255.07932	0.3
272.08884	16.0
273.08957	0.3
277.21719	0.5
288.03513	0.4
288.06577	5.9
288.73196	0.2
306.07639	100.0
307.07941	3.2
355.01434	0.3
1012.51306	0.4
1030.51538	3.7
1031.52393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51006	0.6
74.02475	9.7
77.76494	0.4
81.04550	0.5
82.02979	1.2
84.04535	0.5
84.44720	0.4
86.02465	3.6
86.06103	0.5
86.99097	0.8
87.05622	2.5
88.04027	0.5
90.00185	1.0
96.04547	0.6
97.04055	1.5
99.05650	8.6
101.07220	1.0
102.05585	0.7
104.34649	0.4
106.83865	0.5
107.06158	0.4
109.04093	2.0
109.06600	0.6
109.07677	0.5
111.05634	0.6
112.04041	1.2
116.01750	0.9
123.05631	1.1
125.02531	0.5
125.03521	0.6
126.58717	0.4
127.05104	1.3
128.03546	24.9
135.05656	2.6
137.07150	0.8
141.06697	2.0
143.04623	33.1
145.06154	1.2
146.04584	2.9
153.06680	2.9
160.00728	9.6
166.09811	1.6
167.04616	3.2
167.08234	1.5
170.03415	0.7
171.04053	0.5
177.03427	3.3
179.04614	8.1
181.06166	1.0
185.05667	1.3
192.07739	1.0
197.05713	0.9
198.08858	0.7
210.08832	7.7
213.03516	0.5
242.07726	1.2
247.64076	0.4
254.07797	9.9
272.08875	16.3
273.09140	0.5
288.06561	6.7
289.06873	0.7
293.40082	0.5
298.33997	0.5
306.07645	100.0
307.07986	4.0
308.07471	0.6
328.05865	1.0
355.74762	0.5
420.58847	0.4
421.12448	0.4
476.71899	0.4
496.72052	0.4
598.97693	0.4
1028.49695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.236
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.6
73.54367	0.5
77.03969	0.5
89.02423	0.6
98.11492	0.5
109.02953	2.9
119.05009	0.8
121.02911	1.5
123.04477	0.7
125.02438	3.7
131.01392	0.7
132.02156	0.7
133.02948	14.6
134.03706	1.7
134.79698	0.5
135.04514	1.2
137.02403	0.9
147.04494	1.0
149.02425	1.2
151.00366	1.0
151.04033	0.5
159.04486	0.7
161.02431	3.7
163.00409	3.2
163.03987	2.0
164.01096	0.7
165.01936	1.9
173.02388	1.3
174.03180	0.9
175.00328	2.2
175.03957	3.6
177.01950	4.5
191.03485	1.2
193.01372	1.5
199.03972	2.0
201.01874	1.7
203.03336	0.9
211.03995	0.7
213.05510	1.4
217.05157	0.5
225.05563	2.0
227.03484	1.4
229.05101	0.9
239.03648	0.6
240.04301	1.0
241.05067	1.5
243.02908	1.1
251.03387	0.6
253.05048	2.0
255.02968	1.6
265.04993	0.7
267.03049	1.0
269.04590	3.4
270.05200	1.2
277.51147	0.6
281.04572	1.4
284.03217	8.8
285.04031	19.1
286.04269	1.0
287.05511	0.9
289.07272	0.9
297.00580	1.2
297.04016	27.8
298.04794	49.3
299.05542	17.9
309.04031	27.3
309.07700	1.1
310.04355	1.8
311.05597	6.3
323.05450	1.0
324.02728	1.7
325.03473	2.3
326.04269	2.1
327.05072	80.7
328.05426	2.7
330.03781	2.8
337.03299	0.6
338.04306	1.4
339.05054	13.6
341.06747	2.5
351.04871	1.6
353.02985	2.3
357.06128	56.1
358.06613	3.0
365.06842	0.7
369.06152	4.4
381.06131	1.4
393.06281	1.1
399.07172	1.0
411.07202	1.7
423.06717	0.7
429.08209	12.9
430.08713	0.6
447.09305	94.2
448.09573	5.4
449.08887	0.7
459.09268	12.8
579.13531	100.0
580.13959	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	1027.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
81.73309	0.3
83.01390	0.4
93.03448	0.4
97.02956	0.6
98.20621	0.7
99.89671	0.3
105.03473	0.5
108.82485	0.3
109.02971	1.8
121.02946	0.8
123.04548	0.5
125.02456	2.4
131.01448	0.6
132.02155	0.6
133.02953	13.1
135.00864	0.4
135.04518	0.5
137.02438	0.7
138.18767	0.4
147.04495	0.9
149.02446	1.1
151.00414	0.7
151.04053	0.4
161.02556	2.0
163.00368	1.6
163.04013	2.7
165.01894	1.1
173.02454	1.5
175.00374	3.6
175.03984	2.1
177.01959	2.4
191.03505	1.4
193.01430	0.7
198.03221	0.5
199.04015	1.5
201.01848	1.7
202.92967	0.4
203.03532	0.4
209.06026	0.6
211.04088	0.6
212.04633	0.4
213.05685	0.6
215.03365	0.7
217.05000	0.4
225.05539	1.1
227.03555	0.8
227.07178	0.5
236.04878	0.5
237.05547	1.3
239.03523	0.7
241.05060	0.9
243.03189	0.4
247.03993	0.4
253.05057	1.4
254.05475	0.5
255.06682	0.7
263.03619	0.4
264.04324	0.5
265.05057	1.5
267.02921	1.9
269.04495	0.9
270.05084	0.4
271.06082	0.6
281.04465	0.8
284.03253	7.5
285.04056	7.2
287.05527	0.8
289.07080	0.6
291.02890	0.8
297.04034	15.7
298.04788	10.3
299.05585	14.6
300.05966	0.6
309.04047	53.3
310.04416	2.1
311.05533	2.7
324.02679	0.8
325.03586	0.8
327.05087	80.1
328.05414	4.3
339.05112	3.7
341.06561	0.8
357.06158	29.7
358.06573	1.7
369.06152	1.5
393.06152	1.1
407.07986	0.5
429.08246	13.8
430.08826	0.6
447.09329	22.6
448.09775	1.3
449.10150	0.8
459.09308	10.2
575.11951	0.4
579.13556	100.0
580.13916	7.3
623.87207	0.4
717.77979	0.4
1019.79529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	2.0
83.01379	3.5
89.03986	3.3
91.01852	0.9
93.03481	1.7
95.01400	1.5
95.05031	1.1
97.02953	2.8
105.03464	1.6
107.05033	1.2
108.02156	1.2
109.02953	27.0
113.27032	0.7
117.03436	1.1
120.02145	0.7
121.02972	3.8
123.04511	9.3
125.02448	94.1
126.02766	1.6
133.02962	14.8
135.00893	1.2
135.04527	4.3
137.02446	18.5
139.03969	1.4
143.05008	0.8
145.02953	1.9
146.03737	1.3
147.04498	1.6
148.01668	0.9
149.02480	5.5
150.03247	2.6
151.04018	11.7
159.04526	5.2
160.01624	0.7
161.02448	48.4
161.06064	3.0
162.03101	2.5
163.00368	4.0
163.04030	3.4
164.01144	8.0
165.01936	6.2
167.03522	1.7
173.02507	1.2
173.06090	1.2
174.03236	1.7
175.03995	10.6
175.07645	1.8
175.77367	0.8
176.01172	3.1
177.01927	100.0
177.05331	2.2
178.02365	2.3
179.03571	2.5
185.02432	1.1
185.05974	1.4
187.04016	6.1
188.04718	1.5
189.01903	13.1
189.03513	0.6
189.05463	1.2
190.02707	1.8
191.03474	1.4
197.06062	0.9
199.04034	3.2
201.01892	3.9
201.05539	5.9
203.03497	10.4
203.07091	5.4
204.04070	0.8
205.01288	1.3
205.05043	4.3
209.06087	0.9
211.04102	2.2
212.04720	1.0
213.05446	1.0
215.03513	5.7
216.00668	6.8
216.03871	0.8
217.01427	5.6
217.05028	3.7
219.03026	2.3
219.06708	1.1
223.03998	1.1
225.05559	2.7
227.03531	17.2
227.07047	2.0
229.01413	13.2
229.05069	3.4
231.02986	2.4
241.01465	0.8
241.05003	1.8
243.02959	7.4
243.06677	1.8
245.04524	14.7
245.08173	6.2
246.04805	0.9
247.05881	0.9
249.05682	1.2
251.03474	2.3
253.05115	2.4
255.02965	10.5
256.03656	2.5
257.04599	3.9
265.04901	1.0
267.03070	1.4
269.04529	20.7
270.04947	0.8
271.02451	6.2
273.04028	3.4
277.04965	1.5
279.02893	1.7
280.03754	1.2
281.04474	4.4
282.01590	0.9
283.02594	1.6
283.05969	0.9
284.03085	1.8
285.04065	6.3
286.04449	1.2
287.05624	42.9
288.06177	1.2
289.07153	21.5
290.07568	1.3
293.04440	1.9
295.02475	9.1
295.06058	2.2
297.04056	5.0
297.07132	1.0
299.05502	5.4
307.02686	1.0
309.03976	2.4
311.05563	1.8
313.03625	5.2
315.08817	1.2
321.03949	7.5
321.07288	1.0
325.03751	0.8
327.05109	2.4
329.06879	1.1
337.03604	1.4
337.07217	3.6
339.05072	27.9
339.08630	1.7
340.05695	0.9
341.06613	4.1
363.05115	1.3
365.06580	1.0
379.08521	3.5
381.05942	3.8
383.07660	2.4
389.06815	0.9
405.06073	12.1
407.07770	25.4
408.08151	1.3
417.06314	1.8
419.07867	1.1
423.07169	16.8
425.08765	9.9
431.07587	2.0
447.08759	1.5
448.08899	0.8
449.08755	28.6
450.09128	2.2
451.10382	10.9
465.08044	1.2
475.06332	0.9
493.10965	0.9
527.09485	1.0
531.12659	1.3
535.13177	1.3
541.11499	1.5
543.09180	4.2
557.10883	1.6
559.12048	2.5
567.09595	3.0
569.10638	2.1
575.11896	32.0
576.12329	2.1
577.05365	1.2
577.13672	18.5
578.14124	1.6
579.13629	1.1
585.10541	9.9
586.10822	1.0
587.11908	2.4
614.10767	3.2
615.11041	2.3
629.13715	0.9
687.11450	2.3
695.14063	5.2
705.12476	5.5
723.13721	2.3
737.15222	24.0
738.15466	2.9
739.16809	2.6
747.13513	1.1
839.15936	1.3
857.17731	6.0
858.17639	1.3
875.18182	8.0
1027.22241	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	1027.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.7
83.01396	5.4
85.02970	1.1
89.03984	4.3
93.03468	2.9
95.05030	1.6
97.02940	3.1
105.03464	2.0
108.02175	1.3
108.78082	0.9
109.02952	27.7
117.03457	2.2
121.02960	3.8
122.03772	1.4
123.04546	8.8
125.02450	86.2
126.02784	2.1
131.05042	1.7
132.02263	2.0
133.02959	15.2
134.37695	1.2
135.04539	3.7
135.49472	1.1
137.02435	18.2
139.03992	1.9
145.02956	1.5
147.04556	2.1
149.02420	5.4
150.03233	3.3
151.04015	10.3
159.04503	5.1
161.02438	51.1
161.06067	2.3
162.03093	3.4
163.00374	5.1
163.03995	4.3
164.01183	8.0
165.01935	7.4
173.02455	1.2
173.06071	1.5
175.03967	9.3
176.01143	3.5
177.01932	100.0
177.05251	1.9
178.02342	2.2
179.03505	2.8
183.04521	1.3
185.02394	1.8
185.05949	1.9
187.04056	6.0
188.04706	2.0
189.01920	14.6
189.05504	1.6
190.02563	1.6
191.03470	2.4
199.04030	3.2
201.01926	3.5
201.05554	4.4
203.03491	8.2
203.07169	4.1
205.01465	1.9
205.05063	3.9
211.03970	3.0
215.03593	5.3
215.07312	1.1
216.00687	6.3
217.01433	8.3
217.05034	3.4
225.05539	2.7
227.03510	15.9
228.04118	1.6
229.01425	15.8
229.04956	1.8
231.02902	3.2
241.04962	2.3
243.03009	5.9
243.06537	1.5
245.04520	15.7
245.08049	5.6
251.03539	3.2
253.05168	2.7
255.03023	12.8
255.05611	1.6
256.03708	2.6
257.04517	3.8
258.01654	1.5
267.02890	1.4
269.04584	22.1
271.02512	7.4
271.05313	1.5
273.03986	3.5
277.05008	2.3
279.03036	1.6
280.03662	2.2
281.04581	5.6
283.02499	3.5
283.06119	4.8
285.04056	4.4
287.05624	33.5
288.06125	1.7
289.07162	21.2
293.04611	6.6
295.02579	8.3
295.05713	2.1
297.04105	4.7
299.05542	5.1
300.02747	4.9
301.03439	2.5
311.05609	8.7
313.03564	4.4
321.04022	6.5
327.05023	1.7
329.06833	1.6
337.07126	3.9
339.05099	29.8
339.08936	2.9
340.05151	1.2
341.06583	5.0
363.05020	2.9
365.06393	1.4
379.08151	2.2
381.06140	3.1
383.07611	2.0
405.06137	13.5
407.02939	1.8
407.07782	26.0
408.07965	2.0
423.07141	19.2
425.08890	9.2
431.09818	11.1
432.10016	1.3
447.07205	2.2
449.02908	1.8
449.08795	31.4
450.09256	2.6
451.10349	13.6
463.08859	8.9
467.09509	1.3
491.09854	1.6
541.10535	1.3
543.09521	3.3
557.10864	2.1
559.12726	2.9
563.14056	2.6
567.09564	3.0
569.10559	3.7
575.11920	37.5
576.12286	2.5
577.13702	15.9
578.14124	1.5
585.10449	8.0
587.12292	3.3
593.13953	1.6
594.14899	2.2
595.16125	1.5
614.10675	4.6
615.11646	3.7
679.13843	1.4
687.11578	2.7
695.13574	5.4
705.12793	7.4
706.12939	2.0
723.13397	3.5
737.15051	23.5
738.14960	2.5
739.16937	3.3
831.18848	1.6
857.17261	8.8
875.18762	6.6
1009.22363	1.6
1027.22705	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	1025.569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	31.6
71.50243	3.7
72.99271	3.1
73.02968	4.9
74.49162	2.2
76.42915	2.1
83.01379	4.6
85.02949	7.1
87.00877	9.4
89.02444	25.4
95.05019	2.8
97.02945	8.1
97.06560	2.6
99.00858	3.2
101.02454	18.7
109.06557	3.1
113.02444	14.4
114.93367	2.8
119.03531	4.4
119.14188	2.3
123.69084	2.3
125.02448	11.9
125.09698	4.1
143.03445	6.4
161.04520	5.7
163.11247	5.2
179.05620	7.9
185.11792	5.0
191.14409	10.3
207.10234	3.6
209.11819	13.4
235.08221	6.8
237.11292	4.6
245.19064	14.2
255.23187	3.1
263.07819	2.6
263.20230	3.5
277.21716	100.0
278.22006	6.5
279.19580	2.4
289.18088	77.8
290.18268	4.6
307.19162	93.1
308.19125	5.2
379.12381	7.2
397.13470	72.6
415.14670	23.5
449.55075	2.4
483.61542	2.6
687.32190	5.2
889.19293	3.0
965.54700	8.5
979.02039	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	1025.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	2.6
71.51970	1.2
78.22083	0.8
81.03444	1.0
83.01380	2.8
89.02440	1.9
93.03460	2.3
95.05009	3.0
97.02928	2.5
99.92577	1.3
108.02171	3.2
109.02937	13.4
116.92885	4.0
121.02935	2.6
122.03708	2.5
123.03630	1.2
123.04524	19.9
124.01614	1.4
125.02425	2.5
133.02936	1.5
135.04489	3.1
136.01697	1.1
137.02434	4.7
139.04021	2.0
145.02934	2.5
146.03737	1.7
147.04506	1.0
149.02435	5.5
149.06015	1.1
149.09599	1.0
150.03160	1.1
151.03963	5.6
159.04449	2.5
161.02484	4.5
161.06030	3.6
161.18120	0.9
162.03200	1.0
163.00357	2.9
163.03964	3.5
164.01132	3.6
165.01906	4.1
175.04002	2.8
176.01108	2.7
176.04774	1.1
177.01880	3.3
177.05495	1.3
185.05969	0.9
187.03979	2.0
188.04744	3.8
189.01942	1.7
189.05576	1.2
191.03549	1.4
192.04242	1.0
201.05626	1.0
202.02695	2.5
203.03514	2.7
203.07124	3.5
205.04941	4.7
205.12320	1.8
216.04015	1.1
217.01373	1.6
223.13335	1.4
230.02039	1.2
230.06007	0.9
247.06052	1.2
247.13312	1.2
257.15521	1.1
265.14426	0.9
277.21732	6.9
285.15015	1.0
287.12823	2.9
299.12817	2.1
301.14432	3.6
303.15833	2.1
305.13870	2.6
317.13684	1.3
327.12347	5.3
329.13940	1.5
333.13461	1.4
341.13687	0.9
343.15323	1.0
345.13287	2.3
347.15027	2.9
359.15039	2.7
361.16562	2.8
365.15869	2.0
373.12863	2.9
387.14606	7.0
393.16977	1.1
405.15524	3.2
407.63818	1.0
411.17847	1.1
435.18317	1.9
451.17502	1.2
479.16986	1.0
497.18195	1.3
511.19727	32.5
512.20111	1.9
529.20581	4.2
747.28925	1.4
765.29675	21.9
861.47345	1.7
873.46277	10.1
874.46399	1.0
901.45392	2.4
993.48810	3.3
1025.51123	100.0
1026.51343	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	1021.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	7.2
71.51155	3.1
72.73040	2.1
74.32379	2.2
85.02948	4.8
87.00884	2.7
89.02448	8.0
97.39420	2.0
99.00865	2.9
101.02430	7.2
113.02443	6.0
116.92867	9.9
125.02482	5.4
126.36338	2.3
135.89598	2.4
171.10318	12.3
179.05623	2.8
203.02283	2.3
211.13341	4.3
229.14227	2.1
235.08237	5.5
277.21707	20.2
303.18253	2.3
309.20746	6.2
311.16742	4.4
327.21747	100.0
397.13519	60.8
415.14594	18.7
587.43109	3.2
675.35779	10.8
707.34766	22.2
725.36005	8.6
985.56885	22.2
986.56213	2.7
1021.54742	34.4
1022.54730	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	1024.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	16.0
72.54836	6.0
85.02946	7.4
87.00891	18.2
87.51945	7.5
96.96021	6.9
97.58359	7.7
99.00903	7.4
99.05624	9.0
113.02427	9.6
115.00362	17.7
125.02428	15.1
128.03505	17.4
137.02429	10.0
143.04645	17.5
145.02942	10.9
149.02461	18.3
161.02473	8.3
164.04784	19.2
175.00368	23.9
175.02505	30.1
175.03928	10.5
179.03516	7.9
190.02733	62.5
205.05074	59.9
223.06097	18.5
239.99242	7.3
285.04062	6.1
289.07214	7.6
295.08255	6.7
306.07611	41.4
308.88336	6.4
350.59641	6.4
361.65479	7.2
387.97369	6.1
443.01944	8.0
680.06152	7.5
747.73431	7.4
755.30969	12.0
961.37469	100.0
962.37286	10.5
1061.74194	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	1014.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63990	1.6
72.00906	1.2
74.02471	11.4
78.95910	0.9
81.04546	0.6
82.02974	1.5
84.04554	0.5
86.02477	4.0
86.99102	1.0
87.05627	2.1
90.00194	1.2
95.02542	0.7
96.95994	1.4
97.04073	1.5
99.05641	8.8
99.92603	0.8
101.07195	1.6
102.05604	1.9
107.06136	0.9
109.04067	3.1
111.05628	0.8
112.04038	0.8
115.00390	0.7
116.01757	0.7
116.92865	5.0
117.92854	1.2
120.01244	0.7
123.05641	0.9
124.04033	1.0
125.02482	1.2
125.03545	2.2
126.01960	1.0
127.05138	2.7
128.03545	28.7
131.04614	0.6
135.05650	3.5
136.93553	0.5
139.05075	0.5
141.06714	1.9
143.04623	33.7
145.06197	1.6
146.04605	3.7
153.06674	2.0
160.00743	10.4
161.01277	0.5
161.02441	1.3
166.09825	1.9
167.04640	2.6
167.08270	1.2
170.03264	0.7
171.07799	0.8
177.03407	3.9
179.04634	8.3
181.06131	0.8
185.05713	1.4
192.07823	0.9
197.05670	0.7
210.08846	7.5
242.07689	0.8
254.07825	9.8
272.08884	18.2
273.09131	0.7
288.06592	7.3
289.07150	1.8
292.14746	0.5
306.07654	100.0
307.07858	3.2
311.83896	0.5
320.09305	3.4
332.55640	0.6
351.76486	0.5
1014.51941	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	1014.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
94.38161	48.2
98.19854	100.0
102.98988	58.5
158.23189	53.1
302.99570	53.0
362.48108	61.0
409.67221	51.8
876.35468	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	1021.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.1
83.01400	1.2
85.02930	0.7
87.00868	0.8
96.95997	0.4
98.19942	0.8
103.55257	0.4
105.03482	0.7
107.01376	2.2
109.02978	0.8
113.02462	0.4
115.00386	1.0
119.01439	0.5
119.05043	0.5
119.73870	0.4
121.02985	1.5
121.44693	0.4
133.02945	7.4
135.04520	0.4
147.00916	0.7
147.76663	0.4
149.02446	3.8
150.03247	0.9
151.00386	4.8
151.03975	0.8
161.02460	0.7
161.06125	0.4
163.04021	0.4
164.04781	1.6
165.05476	0.6
167.03360	0.4
171.04509	0.6
175.00307	1.6
175.02458	1.6
175.04001	2.8
176.01155	1.7
177.01962	0.9
185.06029	1.0
188.31497	0.4
189.05542	0.5
190.02701	3.6
191.03520	2.8
194.02263	0.6
195.12915	0.5
199.04013	2.2
201.01973	0.6
201.77754	0.4
205.05106	2.9
206.05626	0.4
209.04562	0.5
213.05650	0.7
215.03590	0.8
217.05055	1.9
221.08134	0.5
223.06189	0.8
239.03459	0.5
241.04973	1.0
251.05809	0.4
255.02879	0.5
284.03250	7.2
285.04041	100.0
285.42444	0.4
286.04367	4.8
299.05600	3.1
358.34085	0.5
367.73502	0.4
380.74365	0.4
515.14264	0.6
721.19562	3.2
735.21436	0.8
754.76678	0.4
815.20569	2.2
1021.26111	21.5
1021.43732	0.9
1022.26453	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	1012.455
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75645	0.9
71.01373	0.9
72.00907	0.8
72.36356	0.4
74.02473	9.9
81.04583	0.9
82.02994	1.2
84.04571	0.4
86.02478	2.7
86.06142	0.7
86.99144	0.9
87.05641	2.0
90.00196	0.6
97.04064	1.5
98.06116	0.4
99.05637	8.9
101.07193	1.2
102.05607	1.4
109.02943	0.4
109.04066	1.7
109.07750	0.7
111.05638	0.9
112.04034	1.1
113.02455	0.5
113.03581	0.5
116.01752	1.0
119.04989	0.7
123.04614	0.4
123.05611	1.1
124.04020	0.8
125.02512	0.5
125.03503	1.0
127.05143	1.9
128.03539	23.2
130.62915	0.4
131.04700	0.4
135.04597	0.7
135.05649	2.4
137.07175	0.5
141.06703	2.4
143.04616	30.9
144.04941	0.6
145.06184	1.6
146.04582	3.1
150.03247	0.5
153.06680	3.1
160.00719	9.0
160.01929	0.7
161.02498	0.5
164.36215	0.4
166.09859	1.4
167.04587	2.7
167.08249	1.4
170.03294	0.5
175.02559	0.8
177.01961	0.7
177.03368	2.5
179.04610	7.3
181.06256	1.1
185.05652	1.2
197.05608	0.9
198.08945	0.5
209.11815	1.5
210.08844	7.5
228.09740	0.5
242.07680	0.4
254.07823	7.7
264.53699	0.5
272.08859	14.5
273.09131	0.7
288.06552	4.4
289.07156	0.7
306.07635	100.0
307.07935	3.4
426.33911	0.4
640.21570	0.5
642.49091	0.4
750.79248	0.4
877.83777	0.5
994.44427	0.6
1012.45404	5.2
1013.44293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.7
75.88737	0.4
76.98129	0.4
77.42130	0.4
80.05106	0.4
81.03451	3.6
83.01377	6.4
87.71077	0.6
93.03448	3.2
95.01380	1.5
95.05042	4.3
97.02951	9.6
98.19859	1.2
99.04491	0.6
101.02459	0.5
102.38514	0.4
105.03471	0.8
107.05025	0.7
108.02171	2.2
109.02952	29.3
111.04569	0.5
114.45249	0.4
117.03413	0.6
121.02950	5.2
122.03745	1.9
123.00913	0.9
123.04520	17.6
125.02454	19.7
133.02965	1.9
133.06557	0.6
135.00952	0.4
135.04514	4.1
137.02449	22.5
138.03210	1.1
138.34737	0.5
139.04016	5.7
142.74004	0.5
145.02919	2.0
146.03732	2.1
147.04494	1.4
149.02438	6.5
149.06035	0.8
150.03207	1.3
151.02856	0.9
151.04007	9.8
157.06578	0.6
158.03767	0.7
159.04488	5.3
160.05275	1.9
161.02455	5.7
161.06065	9.5
162.03215	3.3
163.00377	1.8
163.03995	1.9
164.01141	5.9
165.01936	6.9
165.05583	0.6
166.02612	0.6
167.03564	2.8
173.06078	1.8
174.03197	2.1
175.03984	5.0
175.07607	2.7
176.01181	1.3
177.01878	4.1
177.05624	1.1
179.03496	8.1
183.04565	0.5
184.05290	0.5
185.06075	2.0
187.03998	7.7
188.04774	7.0
189.05402	0.5
191.03394	0.5
199.07579	1.2
201.05554	1.5
202.06369	3.4
203.03712	1.1
203.07132	22.4
205.05045	13.9
207.10309	0.7
212.04863	0.8
217.08705	0.7
217.66263	0.6
219.10036	0.5
221.08157	4.3
223.13354	2.3
227.07172	3.2
229.05064	1.1
230.05772	1.2
231.03030	1.7
245.08168	27.2
246.08467	1.3
247.06160	2.9
265.14465	1.1
269.76089	0.5
271.06107	1.8
277.21722	2.5
289.07175	100.0
290.07541	3.3
497.18253	0.8
621.89935	0.5
805.43909	1.3
859.44562	5.3
860.45435	0.7
949.49597	0.8
967.47101	1.7
993.48578	5.5
994.49683	1.3
1011.49542	88.8
1012.49738	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	1011.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92904	0.5
70.93235	0.8
71.01371	0.7
72.36008	0.4
80.02689	0.7
81.03457	5.5
83.01389	7.4
83.05014	0.5
85.02946	0.5
92.16511	0.5
93.03468	3.5
95.01371	1.7
95.05024	4.8
97.02950	9.8
99.04529	0.8
107.05033	1.1
108.02169	2.6
109.02956	32.1
111.04537	0.7
113.02388	0.4
117.03449	0.7
117.76442	0.5
121.02962	6.5
122.03758	2.0
123.00868	0.6
123.04526	21.6
124.04848	0.8
125.02452	22.8
125.09691	0.5
131.05013	0.6
133.02951	1.6
133.06572	0.6
135.04539	4.0
137.02452	23.2
138.03227	1.3
139.04021	7.0
143.04941	0.7
145.02994	1.5
146.03711	2.1
147.04478	1.7
149.02437	8.5
149.06131	0.6
150.03212	1.6
151.03999	11.2
157.06607	1.1
158.03725	0.6
159.04518	6.6
160.05292	3.1
161.02454	5.6
161.06084	10.3
162.03217	3.2
162.06416	0.4
163.00415	2.4
163.04008	1.8
164.01160	7.5
165.01930	7.6
165.05576	0.9
166.02675	0.6
167.03488	2.8
173.06068	2.1
174.03200	1.5
174.06860	0.6
175.03995	5.0
175.07657	3.4
176.01151	1.7
177.01923	4.9
177.05580	2.0
178.02769	0.5
179.03497	8.8
183.04361	0.6
184.05423	0.6
185.06094	2.1
187.03986	9.6
188.04770	7.1
191.03502	0.6
199.07635	1.4
201.05563	1.8
202.06400	3.0
203.03404	1.2
203.07143	24.6
204.07455	0.6
205.05069	16.4
207.10173	0.6
212.04875	1.2
213.05687	0.5
215.07062	0.5
217.05084	0.7
217.08795	1.0
221.08253	3.8
223.13438	1.7
227.07153	4.9
229.04947	0.5
230.05737	1.2
231.02962	1.7
245.08170	28.1
246.08534	0.8
247.06128	2.5
271.06052	1.4
277.21719	6.4
289.07187	100.0
290.07523	4.0
435.18246	0.6
454.80334	0.5
497.18176	1.0
554.75208	0.5
667.17523	0.5
805.43744	1.8
859.44678	5.1
860.45728	0.6
949.48364	0.6
967.47186	2.3
968.47089	0.6
993.48364	5.2
994.49292	0.7
1011.49567	91.8
1012.49915	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	1011.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.0
71.52162	0.8
71.81110	0.3
72.59957	0.5
72.99312	1.9
77.03963	0.8
77.17359	0.4
79.01894	0.8
87.00880	3.6
89.02478	0.8
93.03460	0.7
95.46627	0.4
103.00380	1.7
105.03469	0.5
107.01395	0.6
109.03001	2.0
112.98817	1.6
117.03448	2.6
119.05013	0.7
121.02948	2.5
125.02441	1.7
133.02956	11.8
134.03693	0.5
135.04523	1.3
137.02423	0.7
145.02972	0.4
147.04480	1.0
149.00929	9.9
149.02390	1.5
151.00362	0.4
151.04041	0.6
159.04507	0.4
161.02489	2.8
163.00314	2.1
163.04008	2.6
165.01927	2.3
173.02510	0.5
175.00336	1.4
175.04013	2.7
175.90466	0.4
177.02008	0.9
183.04549	0.8
183.08116	0.5
187.04008	0.5
189.01964	0.5
191.03418	2.0
193.01353	1.3
195.04446	0.4
197.06000	0.4
199.04002	1.6
201.01897	1.2
203.03516	0.6
209.06111	0.4
211.07657	0.4
212.04634	0.5
213.05637	0.9
215.03542	0.8
224.04770	0.6
225.05527	0.9
227.03514	0.9
227.07138	0.7
237.05695	0.8
239.07129	1.2
240.04254	1.0
241.05063	0.9
251.04073	2.9
253.05049	2.0
255.02953	1.1
255.06679	1.2
257.04648	0.6
265.05035	0.5
267.03107	0.5
269.04596	3.4
270.05011	0.6
271.06171	0.5
281.04541	4.1
282.05270	1.7
283.06122	27.4
284.03326	9.4
284.06412	1.5
285.04019	6.8
293.04581	8.9
295.06046	2.5
297.04059	15.7
298.04782	8.3
299.05624	17.2
300.05951	1.1
309.03964	1.5
311.05612	54.1
312.06046	3.7
314.04352	1.5
321.04120	0.5
323.05612	4.3
324.02725	0.5
325.03455	1.1
327.05081	100.0
328.05411	6.3
339.04968	3.7
341.06650	17.1
342.07120	1.1
353.06686	1.9
357.06146	25.4
358.06525	1.6
369.06165	2.8
383.07806	0.5
393.06302	0.9
411.07129	0.6
413.08777	2.9
431.09818	68.3
432.10056	5.5
447.09314	82.7
448.09711	6.4
563.10052	24.1
564.10095	2.0
938.47009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.9
71.52561	0.4
77.03980	0.6
79.01891	0.8
87.98968	0.3
89.02449	0.8
97.02966	0.5
107.01394	0.8
109.02953	2.3
117.03457	0.9
119.05016	0.9
121.02940	1.5
123.00848	0.4
123.04550	0.5
125.02458	1.7
131.01328	0.5
133.02951	12.6
135.04529	2.1
137.02422	0.5
145.02892	0.4
147.04506	1.0
149.02397	1.0
151.00371	1.1
151.03949	0.5
161.02422	1.4
163.00330	2.2
163.04022	3.2
165.01924	1.6
173.02443	0.9
175.00378	1.0
175.04013	3.1
177.01929	1.3
189.01929	0.5
191.03506	1.8
193.01387	1.4
199.03989	1.6
201.01910	1.5
211.04089	0.7
212.04834	0.6
213.05588	1.2
215.03482	0.5
225.05533	0.6
227.03416	0.8
227.07126	0.6
229.01376	0.4
229.04951	0.6
237.05623	0.5
240.04207	0.8
241.05139	1.0
243.02959	0.6
249.92989	0.4
253.05016	1.1
255.03123	0.8
255.06665	0.5
256.03577	0.4
257.04489	0.5
269.04529	1.8
271.06055	0.4
281.04434	0.9
283.06085	1.4
284.03241	10.4
285.04019	9.0
286.04541	0.4
293.01303	0.6
293.04562	11.2
294.04742	0.6
295.05875	0.6
297.04019	17.5
298.04800	9.5
298.07428	0.2
299.05588	18.6
300.05875	0.8
309.04065	0.7
311.05600	4.2
312.06189	0.5
323.05673	0.5
324.02606	0.5
325.03458	1.0
327.05081	100.0
328.05423	6.0
339.05020	4.3
341.06677	1.5
357.06137	29.8
358.06619	1.7
369.06049	2.4
393.06021	1.0
413.08807	2.7
414.09305	0.4
429.08252	1.1
431.09662	0.5
444.23788	0.4
447.09302	98.0
448.09705	6.8
563.14185	9.4
564.14514	0.7
588.48779	0.4
762.10059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.9
71.52718	0.4
72.99300	2.7
73.02972	0.4
77.03970	1.0
78.92602	0.3
79.01888	0.6
81.03448	0.4
85.71397	0.3
87.00871	5.3
93.03462	1.1
97.02950	0.3
103.00400	2.0
105.03489	0.7
107.01375	0.5
109.02934	1.7
112.98813	1.9
117.03448	4.1
119.05039	0.7
121.02918	1.3
123.00871	0.5
125.02451	1.2
126.73009	0.3
130.99834	0.8
133.02945	8.8
133.03906	0.7
135.04514	1.8
147.04489	1.0
149.00923	14.2
149.02390	1.4
151.03987	0.6
158.19992	0.3
159.04448	0.6
159.30017	0.3
161.02431	3.0
163.00374	1.1
163.04001	3.0
163.14140	0.3
165.01932	2.6
165.19023	0.3
173.02396	0.8
173.05980	0.4
175.00308	1.0
175.03951	2.2
177.01918	1.1
183.04402	0.6
183.08128	0.4
190.02655	0.4
191.03467	1.2
193.01392	0.9
195.04459	0.4
197.06038	0.9
198.03198	0.5
199.03999	0.9
201.01889	1.1
203.03426	0.7
211.03987	0.7
211.07608	0.5
213.05495	0.6
215.03476	0.4
217.05016	0.4
224.04865	0.6
225.05586	0.5
227.03473	0.8
239.07137	1.3
240.04320	0.7
241.04958	0.7
251.04120	4.1
253.05011	1.3
254.05798	0.7
255.03024	0.4
255.06535	0.9
256.03729	0.7
267.06592	0.5
269.04556	3.9
270.05261	0.5
281.04495	3.9
282.05295	2.1
283.06110	35.4
284.03259	6.5
284.06473	1.7
285.04105	4.9
293.04538	8.9
295.06088	4.8
297.00604	0.5
297.04062	11.1
297.07608	1.2
298.04761	6.0
299.05582	12.8
300.05731	0.8
307.06244	0.4
309.04071	1.4
311.05597	71.7
312.05960	4.2
314.04263	2.0
323.05588	6.7
324.02704	0.5
324.06137	0.6
325.03525	0.7
325.07187	0.5
327.05072	66.9
328.05429	3.6
339.05096	2.6
341.06650	21.7
342.07050	1.4
353.06622	3.7
355.08060	0.7
357.06168	17.0
358.06473	1.2
365.06610	0.9
369.06110	1.9
377.06549	0.4
383.07776	2.2
393.06015	0.8
413.08832	3.3
429.08249	0.5
431.09802	100.0
432.10132	7.3
443.09845	0.8
447.09296	56.2
448.09677	4.1
473.10788	0.8
563.09900	35.0
564.10229	3.2
771.48615	0.4
917.16602	0.5
930.42133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0608
Annotation	ETHYL PROPIONATE
Peak:m/z	Relative Intensity
52.69397	2.2
53.87971	2.3
55.01872	8.5
57.03439	10.9
58.00585	3.6
59.01388	39.3
59.87513	3.0
66.90173	2.4
70.20442	2.4
70.99343	2.9
70.99638	3.5
71.01380	20.1
72.99319	4.2
73.02947	52.1
82.54407	2.4
83.01378	2.7
86.00096	23.0
98.20592	2.8
99.79251	2.6
101.02443	31.4
101.06086	100.0
102.05650	4.1
102.06394	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	1011.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.1
71.52010	1.1
72.99300	2.8
77.03980	0.7
87.00882	5.2
93.03463	1.9
103.00396	3.2
105.03499	0.9
112.98822	4.9
117.03490	6.2
121.02978	1.4
125.02476	3.1
130.99889	1.1
133.02965	1.4
135.04526	2.1
137.02428	0.9
141.60936	0.6
149.00926	19.8
149.02283	1.7
152.07292	0.6
159.04468	1.3
161.02429	4.1
163.00331	0.7
163.04004	3.2
175.03978	1.1
191.03546	1.5
191.05595	0.8
203.03568	1.0
221.03012	5.8
239.07225	1.7
245.15921	0.7
251.04112	9.0
268.03748	2.2
269.04617	4.2
281.04578	4.2
282.05316	1.8
283.06137	42.1
283.51974	0.8
284.03421	0.9
284.06412	2.9
287.05664	0.9
293.04526	2.7
295.06128	2.6
297.04019	2.0
297.07663	2.3
299.05505	1.1
307.06073	0.8
309.04102	2.3
311.05624	91.9
312.05936	4.6
323.05637	6.7
325.07129	1.1
327.05066	9.5
341.06665	27.6
342.06982	1.5
353.06631	5.8
357.06265	3.0
365.06784	1.1
371.07657	0.9
383.07779	4.2
395.07538	0.8
413.08905	4.3
419.78531	0.7
431.09842	100.0
432.10233	6.9
443.09811	1.2
447.09500	5.3
536.00922	0.9
545.09436	0.7
563.09900	32.9
564.11200	2.8
579.13745	3.7
697.84125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
50.95426	3.0
51.55566	3.2
51.61421	3.3
55.01878	9.8
57.03450	79.3
59.01385	17.8
68.99828	3.4
69.35361	3.0
69.99740	13.8
71.01382	10.8
73.02949	40.0
83.01365	5.2
86.00096	9.1
100.94621	100.0
100.96021	5.2
101.02449	98.4
102.05617	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	1003.6725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55619	1.3
71.01381	1.0
83.05045	0.2
89.02433	0.9
98.19933	0.2
101.02455	0.8
113.02453	0.4
116.92849	0.4
119.03456	0.2
131.53853	0.2
137.88806	0.2
141.09229	0.2
143.03516	0.2
153.12848	0.5
161.04591	0.5
169.12334	2.4
179.05585	0.4
179.10689	0.2
197.11824	45.8
198.12152	1.0
205.19458	0.2
211.13391	0.3
233.22746	0.5
235.08337	0.5
248.56483	0.2
253.09270	2.9
253.58765	0.2
259.20721	0.7
275.20221	0.3
277.21707	100.0
278.22037	4.7
309.20691	0.3
310.07999	0.2
326.84988	0.2
397.13651	0.4
415.14713	0.3
415.19727	1.2
433.20767	4.8
513.30811	0.4
693.42566	0.9
806.61682	0.2
1003.52997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
76.70663	77.3
88.83617	89.7
102.58881	84.8
144.20844	88.3
151.31049	83.5
180.42339	100.0
550.37994	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	1009.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98034	1.4
77.03974	1.5
81.03476	1.4
83.01385	3.4
93.03471	2.6
95.05024	1.5
97.02955	1.9
105.03474	1.0
107.04999	1.2
109.02947	13.9
117.03449	6.3
119.05003	1.5
121.02977	3.9
122.03731	1.1
123.04523	10.4
125.02448	100.0
126.02830	1.4
131.05093	0.8
133.02946	4.8
135.04518	2.7
137.02443	22.8
139.04024	2.5
145.02930	1.4
147.04504	0.6
149.02426	4.6
151.04005	10.4
159.04488	3.5
160.05354	0.8
161.02443	25.1
161.06046	3.5
162.03197	2.6
163.00356	1.2
163.03986	5.0
164.01108	4.0
165.01964	3.7
167.03496	1.6
173.06046	0.8
175.03993	7.4
175.07588	0.7
177.01939	3.8
177.05507	1.0
179.03510	4.8
183.33264	0.7
185.06079	1.0
187.04074	5.3
188.04796	2.1
191.03542	1.7
201.05565	1.4
202.06441	1.0
203.03523	1.8
203.07123	8.5
205.01436	1.4
205.05043	6.3
211.03906	0.7
213.05568	1.0
215.03603	1.3
217.05031	1.4
219.03038	0.7
221.08177	1.0
227.07108	2.0
228.04152	1.1
229.05099	3.0
231.03033	1.4
239.07077	1.0
243.02997	1.9
243.06664	1.3
245.04567	3.1
245.08162	12.4
246.08473	0.8
255.03030	5.9
256.03769	2.4
257.04468	1.5
268.03766	1.4
269.04590	2.8
273.04010	5.1
281.04553	3.8
282.05298	1.2
283.02948	1.3
283.06110	23.1
283.09155	1.4
284.06561	0.9
285.04080	1.8
287.05582	12.1
288.06116	0.7
289.07169	60.1
290.07602	2.1
293.04605	1.9
295.06061	0.9
299.05664	7.3
311.05594	31.3
323.05475	1.2
339.09033	3.1
341.06729	2.4
381.09677	1.0
407.07700	47.0
408.08182	2.3
415.18173	0.7
425.08749	51.7
426.09140	2.8
431.09821	22.0
432.10181	1.2
451.10355	16.0
452.10471	1.8
500.98044	0.7
559.12646	2.0
577.13483	39.1
578.13751	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	1001.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	31.6
71.42369	11.5
89.02459	17.1
229.34682	15.3
235.88875	13.2
277.21692	69.2
289.18143	80.6
307.19083	100.0
377.43835	12.0
397.13318	91.5
415.14621	17.4
1001.51965	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	11.7
71.50372	17.3
79.42604	9.2
89.02440	20.0
101.02412	15.0
110.59546	8.2
116.92849	23.1
118.34690	10.1
132.22179	9.7
134.89417	13.9
135.93611	8.3
159.12097	8.2
179.05548	11.9
209.11841	18.2
237.28705	8.8
240.31662	8.6
245.18947	9.7
277.21695	53.2
287.07639	9.9
289.18103	83.3
305.08847	8.9
307.19226	85.2
323.10034	11.5
397.13507	65.4
415.14438	30.2
459.04538	10.0
783.38135	9.0
965.54492	17.2
1001.52441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79128	50.3
69.79550	100.0
74.90071	27.3
89.90560	26.6
161.50208	27.6
236.74350	24.5
336.62225	30.4
856.54315	32.7
905.83569	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	994.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	1.1
69.07071	1.9
69.91870	0.7
71.49628	1.1
79.00406	0.8
79.05491	8.8
81.03426	1.7
81.07053	7.2
85.02905	1.3
91.05482	7.0
93.07053	7.8
95.04980	1.2
95.08622	5.7
95.39590	0.9
96.99471	0.8
105.07029	6.3
107.08586	3.3
109.10136	2.4
112.23732	0.8
117.07011	1.0
118.06561	2.0
119.08595	3.5
120.20981	0.9
121.10139	3.0
123.04457	1.8
131.08571	2.4
133.05286	1.6
133.10164	2.8
134.05989	2.0
135.11652	1.4
145.10141	0.9
146.06004	28.4
146.07109	1.7
147.06786	2.5
147.11694	2.2
148.07576	1.5
149.08453	0.9
150.03732	1.6
152.01607	1.1
159.11711	1.3
160.07585	1.2
161.13264	1.5
163.03966	1.4
164.01729	1.0
164.07048	2.1
166.03275	2.0
176.17140	0.9
178.03232	9.7
178.19859	0.8
180.04781	1.8
188.10721	1.4
190.03226	1.6
192.04854	0.9
192.06546	13.4
196.04294	10.2
204.04790	1.7
206.08147	2.3
212.03821	2.9
216.04988	0.9
218.08095	2.0
219.68155	0.8
224.03777	39.6
229.14638	2.1
230.15424	2.2
232.09645	2.3
236.03659	1.5
238.05313	2.1
248.03874	2.3
257.14117	1.6
258.14911	5.0
260.10965	1.2
262.05475	0.9
262.12689	4.2
274.14328	1.9
275.15179	30.2
276.03162	0.9
276.10678	1.3
276.15961	13.4
280.13654	1.1
288.15997	1.0
290.12112	15.7
304.15604	4.5
306.11584	10.9
308.13138	56.2
309.13474	0.9
314.12177	1.5
318.11652	1.6
322.16226	1.1
332.13199	3.7
335.25815	6.4
336.12646	50.3
337.12927	1.4
342.11658	1.5
346.14471	1.4
352.12128	18.7
354.13837	4.2
359.14264	3.4
360.12558	6.6
363.98911	0.8
374.14145	7.0
376.15741	1.0
377.15253	2.6
378.19073	2.8
380.22449	0.9
388.12088	3.1
392.15332	10.8
396.20212	1.1
405.14963	1.4
410.16190	7.5
428.17389	18.6
434.16309	1.3
452.17215	2.4
462.16772	2.3
463.17166	1.0
479.17737	1.0
480.17804	2.0
537.18597	1.3
554.21765	2.3
555.20178	3.6
638.40240	1.3
652.38538	1.0
668.35974	1.6
670.37567	1.5
686.37048	11.7
688.38940	5.6
712.38501	2.7
722.36798	1.3
729.41290	3.1
740.37878	3.5
757.40961	1.3
796.41779	1.0
797.40082	3.5
814.43042	26.2
815.41626	14.5
832.44128	100.0
833.44171	4.7
874.45001	4.8
940.45532	1.6
976.47723	4.3
994.49139	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	994.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	1.1
69.07071	1.9
69.91870	0.7
71.49628	1.1
79.00406	0.8
79.05491	8.8
81.03426	1.7
81.07053	7.2
85.02905	1.3
91.05482	7.0
93.07053	7.8
95.04980	1.2
95.08622	5.7
95.39590	0.9
96.99471	0.8
105.07029	6.3
107.08586	3.3
109.10136	2.4
112.23732	0.8
117.07011	1.0
118.06561	2.0
119.08595	3.5
120.20981	0.9
121.10139	3.0
123.04457	1.8
131.08571	2.4
133.05286	1.6
133.10164	2.8
134.05989	2.0
135.11652	1.4
145.10141	0.9
146.06004	28.4
146.07109	1.7
147.06786	2.5
147.11694	2.2
148.07576	1.5
149.08453	0.9
150.03732	1.6
152.01607	1.1
159.11711	1.3
160.07585	1.2
161.13264	1.5
163.03966	1.4
164.01729	1.0
164.07048	2.1
166.03275	2.0
176.17140	0.9
178.03232	9.7
178.19859	0.8
180.04781	1.8
188.10721	1.4
190.03226	1.6
192.04854	0.9
192.06546	13.4
196.04294	10.2
204.04790	1.7
206.08147	2.3
212.03821	2.9
216.04988	0.9
218.08095	2.0
219.68155	0.8
224.03777	39.6
229.14638	2.1
230.15424	2.2
232.09645	2.3
236.03659	1.5
238.05313	2.1
248.03874	2.3
257.14117	1.6
258.14911	5.0
260.10965	1.2
262.05475	0.9
262.12689	4.2
274.14328	1.9
275.15179	30.2
276.03162	0.9
276.10678	1.3
276.15961	13.4
280.13654	1.1
288.15997	1.0
290.12112	15.7
304.15604	4.5
306.11584	10.9
308.13138	56.2
309.13474	0.9
314.12177	1.5
318.11652	1.6
322.16226	1.1
332.13199	3.7
335.25815	6.4
336.12646	50.3
337.12927	1.4
342.11658	1.5
346.14471	1.4
352.12128	18.7
354.13837	4.2
359.14264	3.4
360.12558	6.6
363.98911	0.8
374.14145	7.0
376.15741	1.0
377.15253	2.6
378.19073	2.8
380.22449	0.9
388.12088	3.1
392.15332	10.8
396.20212	1.1
405.14963	1.4
410.16190	7.5
428.17389	18.6
434.16309	1.3
452.17215	2.4
462.16772	2.3
463.17166	1.0
479.17737	1.0
480.17804	2.0
537.18597	1.3
554.21765	2.3
555.20178	3.6
638.40240	1.3
652.38538	1.0
668.35974	1.6
670.37567	1.5
686.37048	11.7
688.38940	5.6
712.38501	2.7
722.36798	1.3
729.41290	3.1
740.37878	3.5
757.40961	1.3
796.41779	1.0
797.40082	3.5
814.43042	26.2
815.41626	14.5
832.44128	100.0
833.44171	4.7
874.45001	4.8
940.45532	1.6
976.47723	4.3
994.49139	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	992.688
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07065	2.3
70.06580	0.7
71.08616	0.8
72.04520	0.6
74.06075	1.2
79.05502	2.1
81.03423	0.6
81.07063	3.2
82.06571	0.4
83.04949	0.5
83.08607	2.0
84.08127	0.3
85.02893	0.4
85.10187	0.7
86.06061	0.6
90.05552	0.9
91.05464	0.7
93.07041	1.8
95.04967	0.5
95.08604	2.5
96.08102	0.5
97.10167	1.6
98.20780	0.7
105.07005	0.6
106.04994	0.3
107.08586	0.6
107.92430	0.3
109.10162	1.3
121.10149	1.2
123.04388	0.4
135.11664	0.7
148.46669	0.4
156.99159	0.4
252.26910	1.5
254.28539	0.9
261.73520	0.3
264.26852	2.1
265.25330	0.6
267.16135	0.4
270.27957	2.4
282.27921	11.0
300.28967	10.4
316.28311	0.9
317.28723	0.8
318.30032	100.0
319.30310	2.2
335.25824	0.4
598.54913	0.4
963.05200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.7
69.07068	0.6
71.01357	0.6
71.04992	0.2
73.02920	2.3
74.33447	0.2
78.20162	0.2
79.05493	1.7
81.03431	1.4
81.07060	2.2
83.08649	0.3
85.02906	4.1
87.04488	0.3
91.03951	2.1
91.05476	1.2
93.07053	1.9
95.04968	0.4
95.08611	1.7
97.02896	4.2
97.10191	0.4
99.04434	0.4
100.47929	0.2
101.02379	1.5
105.07062	0.7
107.05003	0.2
107.08612	1.3
109.02882	0.6
109.10184	0.7
115.03963	0.4
117.07015	0.3
119.08601	0.6
121.10181	0.8
125.09630	0.4
127.03918	1.1
131.08589	0.3
133.10153	0.4
135.11731	0.3
145.10153	0.4
148.64793	0.2
185.04193	1.0
201.03703	0.3
203.05345	0.7
223.13280	0.4
243.08420	2.1
261.21936	0.2
291.19629	0.8
313.09259	0.2
331.18817	1.2
335.25909	0.3
347.09457	1.9
363.09244	0.6
365.10684	0.9
387.21353	0.4
405.13666	5.5
519.29205	4.9
549.26874	2.3
589.34155	0.2
612.10895	0.2
662.76404	0.2
681.34503	6.6
711.31934	1.2
827.48907	0.6
989.54425	100.0
990.54797	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	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	6.9
69.06736	1.4
69.07070	22.0
71.04996	5.8
71.14689	1.2
71.15010	1.2
73.02892	2.9
79.05492	66.6
81.03425	10.7
81.07053	85.9
83.04989	10.9
83.08614	10.1
85.02905	11.5
85.06543	3.5
87.04453	1.0
91.03953	4.0
91.05481	43.8
93.07042	70.5
94.07395	0.9
95.04967	11.1
95.08603	48.5
96.76124	0.9
97.02897	7.7
97.06526	10.3
97.10178	6.2
99.04417	1.4
99.08064	2.7
103.05448	2.3
105.04491	1.9
105.07030	32.3
107.04977	7.6
107.05595	1.4
107.08591	40.2
109.02861	2.2
109.06518	5.4
109.10148	21.0
111.04467	1.5
111.08083	4.9
115.05436	2.9
116.06246	1.0
117.07018	16.3
117.07777	1.8
119.04924	1.0
119.08574	26.2
121.06499	2.9
121.10142	25.5
123.08072	4.4
123.11699	6.0
125.09632	3.9
127.03926	4.3
128.06189	2.1
129.05479	0.9
129.06989	5.8
131.08563	22.5
133.06473	1.6
133.10133	22.4
135.08031	3.4
135.11691	17.9
137.09590	2.9
137.13242	1.9
139.07550	1.2
139.11177	1.0
141.06970	3.2
141.43040	0.9
143.08580	5.1
145.04971	2.2
145.10117	15.3
147.11690	14.4
149.09624	7.2
149.13237	13.5
151.11142	1.5
155.08493	1.8
157.10124	4.2
159.11697	15.3
161.09566	1.5
161.13252	5.2
163.05997	1.3
163.11255	5.5
163.14809	2.5
165.12698	1.2
167.19165	0.8
169.10135	2.8
171.11690	3.9
173.04466	3.3
173.13263	7.6
175.11145	1.2
175.14806	2.1
177.12733	3.9
177.16530	1.1
179.14308	1.8
183.11650	3.2
185.13274	3.1
187.11121	1.6
187.14795	3.4
189.11168	1.2
189.16386	1.2
193.12236	1.1
195.13792	4.2
197.13213	2.6
199.14735	1.5
201.16287	1.5
213.14719	1.3
227.12692	1.9
229.14311	2.0
235.17110	1.5
239.17975	2.6
241.19463	1.4
243.21027	3.6
247.20505	2.0
253.14409	1.1
253.18045	1.2
255.15854	10.5
257.19043	7.1
259.20663	1.8
261.22137	14.0
267.15869	1.8
269.17459	33.1
275.17093	1.1
275.20050	19.8
277.21469	1.6
293.21042	2.8
309.20450	1.7
317.24777	3.5
331.22632	1.8
333.24161	2.2
335.25800	99.5
336.26068	2.2
349.23706	23.7
367.24744	4.6
413.21603	3.0
437.34186	2.5
455.35184	1.2
489.35455	2.9
515.37360	20.8
516.37469	1.4
517.40436	1.0
529.38892	100.0
530.39050	5.9
545.37433	1.1
547.39606	1.7
569.41937	5.6
595.14929	1.0
595.39209	1.3
609.45184	31.0
610.45319	1.1
627.46240	13.2
633.38367	1.1
637.00903	1.0
673.42792	4.0
693.45557	1.0
771.50378	2.0
986.55841	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	984.589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	4.0
69.06734	1.5
69.07075	20.5
71.01339	1.4
71.04985	4.4
71.50227	2.3
73.02898	1.1
73.12867	1.1
77.03915	2.7
79.05497	59.8
81.03423	6.4
81.07059	79.7
83.04986	12.6
83.08630	8.5
83.16188	1.1
85.02901	5.3
85.06553	4.9
88.58648	1.1
91.03959	2.5
91.05484	64.5
93.07047	60.1
93.07645	2.5
95.04972	11.6
95.08615	39.5
97.02894	4.4
97.06547	7.3
97.10157	2.5
99.04436	2.4
99.08051	1.9
102.04887	1.6
103.05455	1.9
105.04503	2.7
105.07034	53.2
107.04942	7.0
107.08595	47.1
109.06505	6.8
109.10159	52.5
111.08077	3.8
115.05453	2.5
117.07014	11.3
117.81618	1.5
119.08594	16.5
119.46720	1.1
121.06499	8.1
121.10161	21.1
123.04382	1.4
123.08070	3.6
123.11699	10.0
125.09621	2.0
127.03920	1.2
127.07570	3.0
128.06229	1.6
129.07007	3.1
131.08575	18.7
133.06465	3.2
133.10138	59.2
135.08046	6.6
135.11671	13.8
137.09589	2.8
143.08514	4.3
145.10136	9.6
146.29994	1.4
147.08052	2.9
147.11739	7.6
149.09601	4.8
149.13251	5.2
151.11179	29.4
157.10153	4.1
159.11664	6.1
161.09612	5.4
161.13261	4.2
163.11102	2.0
163.14911	2.7
169.10152	1.5
169.12274	4.3
171.11682	4.5
173.13268	4.5
175.11208	4.8
175.14975	1.6
177.09126	3.3
177.12659	1.7
187.14787	3.2
215.12694	2.6
227.17868	3.0
243.21120	2.5
245.18977	4.1
251.12715	2.5
253.14377	83.0
254.14589	1.3
259.20587	2.1
261.22171	14.5
263.20059	4.1
271.15399	2.4
273.18527	19.4
291.19583	22.9
309.20642	2.5
317.24716	2.1
333.24292	2.5
335.25818	90.9
336.26260	2.3
347.22113	9.5
365.23248	37.4
383.24323	1.5
457.32935	2.2
513.35773	8.2
529.35150	3.7
531.36810	32.6
532.37122	2.6
607.43542	10.3
613.08215	1.5
625.44659	100.0
626.44635	3.9
643.44946	2.1
652.35760	1.4
787.42810	1.3
984.53339	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	984.589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.4
69.07068	20.0
69.07423	0.7
69.24910	2.7
69.25343	1.9
71.04960	1.9
73.02887	1.0
77.03880	0.5
79.05492	38.6
80.65038	0.5
81.03421	4.1
81.07054	38.9
83.04957	3.7
83.08618	9.1
85.02898	4.2
85.06495	1.4
91.03915	1.8
91.05479	24.2
93.07042	31.1
95.04964	6.3
95.08604	27.0
97.02890	9.5
97.06528	3.3
97.10165	10.8
98.21552	0.9
99.08079	0.8
103.05418	0.8
105.04475	1.4
105.06327	0.6
105.07029	16.5
107.04948	5.7
107.08590	20.9
109.02853	0.8
109.06503	2.8
109.10156	13.4
110.28700	0.5
111.04385	0.8
111.08022	1.7
115.05411	1.3
117.07014	7.6
118.84311	0.5
119.04928	0.5
119.06062	0.5
119.08585	14.2
120.05743	0.5
121.06465	2.3
121.10145	12.6
123.08063	2.9
123.11703	3.3
125.08794	0.5
125.09628	7.1
128.06223	1.0
129.07010	3.0
130.07730	1.1
131.08568	10.4
133.06497	2.3
133.10129	8.1
134.07188	0.9
135.08041	3.0
135.11690	7.5
137.05943	0.6
137.09578	2.2
142.07774	0.6
143.08588	3.5
145.04956	0.6
145.10130	8.3
147.08031	4.0
147.11679	3.5
149.09596	2.0
149.13264	4.3
151.11197	0.7
153.09091	0.7
153.12737	0.5
157.10141	2.4
159.08058	0.8
159.11713	5.5
161.09613	2.0
161.13277	2.5
163.11147	1.3
163.14792	0.8
165.09123	1.2
169.12154	0.7
171.10155	0.8
171.11615	1.0
173.11896	0.5
173.13174	2.5
175.11150	1.7
177.12888	0.6
177.16322	0.5
185.13206	1.3
187.14816	0.8
189.11223	2.6
193.12244	0.8
195.13690	0.9
197.13243	0.7
205.12227	1.7
211.13225	0.9
212.15794	0.4
217.31079	0.5
221.11653	0.7
223.11156	1.1
223.13271	14.8
227.12708	3.3
227.17897	0.5
228.85368	0.5
243.20988	2.4
249.14906	1.8
252.41609	0.6
255.17418	1.4
261.22113	7.8
263.20047	1.1
267.15915	1.0
273.18500	11.2
291.19540	79.3
292.19788	1.0
293.20926	0.5
309.20541	0.7
317.24646	3.7
335.25793	70.6
336.26062	1.1
347.22348	1.6
365.23230	44.1
366.23492	1.0
415.55310	0.5
429.21643	0.6
462.66977	0.5
505.35110	0.7
526.94012	0.6
527.37164	0.9
545.38788	3.9
557.37921	0.6
607.43604	3.3
625.44617	100.0
626.44775	3.3
643.45770	1.4
689.42554	1.0
838.02997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	4.8
69.06728	1.1
69.07067	12.0
71.04974	1.1
71.08625	1.3
71.49788	1.4
73.02908	1.8
74.87354	0.7
78.04671	0.8
79.05491	47.8
81.03394	2.6
81.07055	39.5
83.04974	5.3
83.08615	26.4
85.02889	3.2
85.06539	1.2
87.04526	0.8
91.03931	1.0
91.05478	43.3
93.07043	38.1
93.07642	1.9
94.07379	0.8
95.04962	3.2
95.08611	17.5
97.02876	1.8
97.06513	1.8
97.10165	58.5
101.09631	0.9
103.05457	2.0
105.04507	1.9
105.07027	13.4
107.04935	1.5
107.08595	36.1
109.06506	2.9
109.10155	15.5
111.08064	3.1
115.05440	6.5
116.06262	1.0
117.07018	32.4
119.08581	65.0
121.06532	3.5
121.10150	11.7
121.36916	0.8
123.08060	1.1
123.11694	2.2
125.09630	55.3
128.06187	3.2
129.06999	4.8
131.08563	10.7
133.06491	1.4
133.10133	6.0
135.07127	1.2
135.08058	11.8
135.11688	7.3
137.09547	0.8
141.06963	1.3
142.07809	1.6
143.08565	6.4
143.10683	2.3
144.05696	1.1
145.06480	29.5
145.10121	7.9
147.08038	5.0
147.11705	4.4
149.09622	0.9
149.13275	3.9
153.09114	6.5
155.08554	2.7
157.10115	5.3
158.07344	0.9
159.08035	9.1
159.11682	3.5
161.09552	2.4
161.13257	2.6
163.07533	2.7
163.14853	1.1
169.10104	2.6
171.08046	1.3
171.10167	5.3
171.11546	1.5
173.09604	2.2
173.11832	1.0
173.13251	3.5
175.14815	1.1
177.16397	0.9
183.11702	1.5
185.13309	0.9
187.11111	1.1
187.14838	1.9
189.11214	37.9
190.11475	0.9
193.10336	0.7
209.13307	1.1
225.16287	1.7
227.12776	100.0
228.13214	1.8
229.14346	0.8
243.17374	3.8
243.21066	3.4
245.13832	1.3
253.15819	3.9
261.22128	16.3
271.16916	68.4
272.17133	2.2
273.18506	1.4
275.20038	1.2
289.17972	17.6
313.27368	3.5
317.24741	1.0
327.19434	1.6
335.25790	34.6
345.20569	15.5
363.21646	24.0
363.26221	1.2
364.21744	1.2
389.18451	1.2
413.30707	1.2
431.31177	1.5
432.13022	0.8
467.37189	1.6
487.34152	6.4
505.35104	15.8
506.35934	0.8
507.40256	1.6
587.46472	1.6
605.41980	34.6
606.42230	2.2
623.43011	76.1
624.43335	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	982.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	5.9
69.07069	11.7
69.14599	1.9
69.15015	6.2
71.04984	1.5
71.08627	1.5
73.02930	0.7
77.03963	0.7
79.05490	47.1
81.03411	2.0
81.07053	40.6
83.04976	3.1
83.08615	23.4
84.04128	0.7
85.02885	1.5
85.06558	1.2
87.04474	1.0
91.05478	38.4
93.07039	38.6
95.04965	4.3
95.08602	22.0
95.32385	0.7
97.02884	1.8
97.06553	2.0
97.10167	49.7
98.21510	1.8
103.05497	1.1
105.04526	1.0
105.07034	13.8
107.04943	1.9
107.08591	35.4
109.06516	2.2
109.10149	13.2
111.08083	2.8
115.05437	5.2
117.07011	27.7
119.08578	56.0
120.38115	0.7
121.06509	1.6
121.10145	12.0
121.10947	1.2
123.08094	0.9
123.11708	2.9
125.09627	45.4
128.06253	2.8
129.06996	2.7
131.04936	1.0
131.08546	10.6
133.06494	1.0
133.10136	6.8
135.08046	10.5
135.11694	9.7
137.09671	1.2
141.07034	1.5
142.07803	1.5
143.08568	7.3
143.10680	1.8
145.06479	21.6
145.10127	8.2
147.08051	3.8
147.11705	5.2
149.09636	0.9
149.13251	6.0
153.09114	4.6
155.08562	2.5
157.10115	4.1
159.08038	6.6
159.11671	4.0
161.09648	1.5
161.13290	2.7
163.07547	1.6
163.14815	2.4
169.10141	1.8
171.08073	0.9
171.10199	3.6
171.11681	1.8
173.09637	3.6
173.11885	1.0
173.13289	3.0
175.14885	1.1
183.11710	1.6
183.68811	0.8
185.09721	0.9
187.14854	1.7
187.32860	0.7
189.11214	29.6
199.14742	1.0
225.16412	1.3
227.12775	64.3
228.13165	1.1
233.22653	0.9
243.17496	3.6
243.21133	5.0
245.13873	1.4
253.15932	2.5
259.20712	0.7
261.18915	0.9
261.22134	20.8
261.24854	1.0
271.16922	50.5
275.20108	1.0
289.18042	13.5
313.27344	3.9
317.24765	3.3
327.19586	1.4
335.25800	51.5
336.26114	1.1
345.20602	13.2
363.21646	17.3
363.26138	0.8
364.22250	1.2
413.30737	1.0
431.31412	1.7
487.34152	6.3
505.35223	38.9
506.35449	1.5
507.40433	1.1
587.46967	2.0
596.76056	0.8
605.41956	43.6
606.42072	2.0
623.43036	100.0
624.43610	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	975.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.9
69.07072	0.5
71.01352	0.3
71.05019	0.3
71.50635	0.3
73.02916	3.0
79.05502	2.0
81.03414	1.2
81.07069	1.9
83.08625	0.3
85.02909	4.5
87.04481	0.3
91.03955	2.5
91.05489	1.5
93.07035	2.7
95.08617	1.7
97.02896	4.6
99.04486	0.8
101.02380	1.4
103.03970	0.3
105.07038	1.2
107.08617	1.1
109.02904	0.7
109.10178	0.3
114.57546	0.2
115.03954	0.3
117.07066	0.4
119.08601	0.7
121.10177	0.9
127.03900	1.5
131.08626	0.4
133.10170	0.8
135.11745	0.4
145.04956	0.3
145.10164	0.3
149.13339	0.3
157.10121	0.3
161.13431	0.4
173.13271	0.3
185.04285	0.8
201.03729	0.6
203.05374	1.0
243.08408	2.0
259.07953	0.4
301.09039	0.5
317.20688	0.3
335.26224	0.3
347.09528	2.8
363.09073	1.3
365.10895	0.8
405.13770	6.0
463.14404	0.9
477.16104	0.5
499.90372	0.2
519.29279	4.7
531.20325	0.3
535.28809	2.0
659.26996	0.3
681.34564	7.7
682.35120	0.3
697.34344	2.0
743.44519	0.4
753.36719	0.8
813.50781	0.7
975.56519	100.0
976.56775	7.1
983.15222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05029	5.3
69.03429	2.9
69.07069	4.3
70.06588	20.0
71.50496	1.6
73.02926	3.5
75.88596	1.3
79.05499	14.8
80.05022	2.4
81.03432	4.2
81.07051	14.8
82.44375	1.2
83.08620	2.3
84.08157	1.8
85.02924	4.1
86.09739	1.9
91.03967	1.3
91.05476	13.5
93.05763	2.1
93.07045	14.7
94.06590	4.3
95.04994	1.9
95.08608	9.7
97.02887	5.7
97.06503	1.5
100.07631	4.4
101.02374	1.3
105.04525	1.5
105.07025	8.2
106.06578	3.4
107.08584	6.2
108.08132	3.6
109.10162	3.7
111.08115	1.8
114.05524	10.9
116.07094	2.8
117.07055	4.9
118.06588	2.9
119.08615	3.4
120.08106	12.3
121.10147	3.0
122.09646	2.9
128.07082	6.3
129.07065	2.1
131.08594	4.8
132.08099	3.4
133.08958	1.0
133.10181	3.4
134.09648	14.4
135.10492	2.1
136.11301	2.2
145.10130	2.0
146.09683	2.6
147.11739	3.0
148.11237	6.4
154.08708	5.1
159.10434	1.2
163.11166	1.9
164.07074	9.5
173.13380	1.8
177.07890	2.1
178.08667	6.2
179.09464	1.4
179.23669	1.4
180.10181	23.0
190.08623	1.3
192.10315	1.7
194.08206	3.7
194.11887	1.9
196.48059	1.1
201.16191	1.1
219.44460	1.2
230.19096	1.5
258.18509	7.4
260.20096	2.3
265.18073	1.6
276.19601	16.2
278.21249	3.5
302.17535	1.9
304.19064	53.3
320.18704	1.3
322.20096	23.8
322.23279	1.8
334.23792	6.5
335.25885	3.6
350.23425	2.9
378.22656	9.6
396.23776	34.4
396.28510	2.2
594.45416	3.0
638.44647	4.2
652.36139	1.5
656.45203	80.6
657.45508	3.6
818.50427	90.2
819.50940	4.5
980.55731	100.0
981.55939	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	971.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72731	0.1
68.99790	0.3
69.03412	0.1
70.06572	0.4
70.09406	0.5
84.08119	0.2
85.02879	0.2
86.09694	1.4
87.10029	0.2
120.08036	0.2
123.04431	0.3
124.04708	0.1
128.02930	0.1
129.06970	0.1
130.12823	0.1
135.04416	0.8
136.07613	0.1
137.02313	0.4
137.06029	0.1
147.04405	0.4
151.03868	0.1
153.01825	3.1
153.03027	0.3
157.13383	0.7
161.02327	0.4
165.05499	0.8
166.05792	0.3
171.02878	0.3
179.03348	0.2
221.18401	0.1
232.90819	0.1
241.05054	0.4
269.04407	0.4
287.05478	100.0
288.05823	2.2
317.10153	0.8
318.10516	0.4
440.15234	0.1
449.10785	10.2
450.10971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	3.6
69.07064	1.1
71.01355	0.5
71.05025	0.5
73.02920	3.2
79.05484	2.6
81.03427	1.3
81.07063	2.3
85.02914	4.5
91.03953	2.5
91.05501	2.0
93.07046	2.1
95.08613	2.3
97.02889	4.2
101.02404	1.1
105.07038	1.6
107.04964	0.5
107.08603	1.0
109.10171	0.7
117.07049	0.6
119.08605	0.8
121.10185	0.8
127.03932	1.1
131.08630	0.7
133.10158	1.1
135.11696	0.5
145.04922	0.5
145.10162	0.7
150.25755	0.3
185.04286	0.8
203.05383	0.7
243.08438	3.0
250.77251	0.4
275.20163	0.5
315.19211	2.5
347.09454	1.9
363.08942	0.5
365.10745	1.1
371.22046	0.8
405.13690	6.6
519.29266	4.9
533.27246	5.8
681.34448	5.7
695.32458	4.5
811.49554	0.9
973.54926	100.0
974.55145	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	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	4.8
69.07072	22.7
71.04980	3.7
71.08642	1.9
71.49689	2.0
73.02908	6.4
74.05119	1.8
79.05490	77.1
81.03431	2.8
81.07055	89.8
83.04971	3.0
83.08613	13.1
85.02898	14.6
85.06544	3.1
91.03966	14.0
91.05479	72.7
92.05805	2.1
93.07043	91.1
95.04969	9.1
95.08602	70.2
97.02882	9.6
97.06511	6.0
97.10156	5.5
99.08083	3.5
103.05456	2.8
105.04504	3.5
105.07028	75.5
107.04956	2.7
107.08598	45.7
109.06495	3.5
109.10150	28.6
111.08094	4.2
115.05451	3.0
117.07025	23.8
119.08582	60.9
121.10141	39.0
123.08025	2.7
123.11727	9.2
127.03906	5.1
128.06213	2.5
129.06978	11.0
131.08557	33.7
133.10135	48.3
135.11679	30.0
141.06934	2.2
143.08588	11.5
145.04971	5.7
145.10127	33.4
147.11685	43.0
149.13257	14.6
153.06953	2.1
155.08557	2.8
157.10118	12.7
159.11710	27.0
161.12009	2.2
161.13275	29.5
163.05959	6.8
163.11221	2.2
163.14828	6.5
165.12718	1.9
167.08569	2.4
169.10143	5.9
171.11739	15.4
173.13223	19.2
175.14845	10.3
177.16364	2.1
183.11679	4.4
185.13213	13.0
187.14835	7.7
189.16391	2.7
191.86006	1.7
195.11679	2.3
197.13289	4.7
199.14856	6.7
201.16475	4.2
207.94754	2.1
211.14838	3.2
213.16307	2.9
215.18036	2.2
217.19579	2.2
229.19519	3.2
231.17444	2.4
231.21107	3.1
239.17917	3.4
241.19559	23.0
243.21045	4.9
257.18988	9.5
259.20566	59.3
261.22110	11.8
277.21814	2.2
291.65469	1.7
309.22073	1.7
311.23474	2.6
315.23215	7.0
325.21768	2.1
331.22546	2.5
333.20422	3.3
333.24231	48.0
334.24438	1.8
335.25787	100.0
336.26120	4.3
337.27249	5.2
351.25562	2.5
353.75897	1.9
367.22485	3.4
501.41177	2.3
519.42004	8.0
537.43201	2.8
593.45563	17.4
610.45593	2.1
611.46710	88.6
612.47705	3.7
623.46051	2.5
701.47302	4.6
719.48303	3.5
737.49066	3.4
755.50568	4.8
970.58997	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	968.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	19.2
69.03432	1.0
69.07067	10.8
70.90262	1.1
71.04984	1.0
73.70631	0.6
76.25692	0.6
79.05491	18.4
81.03419	2.4
81.07056	27.7
81.39232	0.5
82.08013	0.6
83.04971	2.9
83.08605	2.9
85.06538	0.8
87.55283	0.5
91.05479	23.5
93.07042	21.3
95.01349	3.1
95.04977	3.8
95.08606	19.3
95.09248	0.5
97.02910	0.5
97.06525	8.0
97.10137	1.1
103.05506	0.9
105.07027	28.6
107.04948	5.5
107.08591	10.2
109.06546	1.6
109.10152	5.2
111.08100	1.1
116.07066	0.7
117.07011	5.7
119.08575	16.0
119.09371	1.0
121.06522	0.9
121.10136	5.8
123.04438	1.0
123.08067	1.4
123.11721	1.2
124.19685	0.5
125.09531	0.5
129.07007	1.4
131.08553	9.9
133.10127	16.7
135.08084	1.3
135.11699	4.0
137.09616	2.2
139.07617	0.6
141.07002	0.7
143.08607	1.6
144.09288	0.5
145.06517	0.7
145.10112	7.2
147.11688	5.8
149.09618	2.1
149.13254	2.2
151.11169	0.8
157.10175	1.7
159.08119	0.9
159.11691	4.1
161.13297	2.1
163.11192	1.1
165.09210	0.9
165.12762	0.6
169.10107	0.8
173.13278	1.8
177.12775	1.7
179.14272	4.3
195.13988	0.6
219.17426	4.5
220.02747	0.5
239.18050	0.8
257.19025	1.5
261.22461	0.5
275.20059	27.9
276.20645	0.7
293.21204	1.8
298.08752	0.5
305.04724	0.5
317.24683	0.7
335.25778	26.5
349.23734	17.8
349.28098	0.7
356.31351	0.6
363.71030	0.5
446.97507	0.5
609.45117	100.0
610.45447	5.9
627.45990	0.7
819.61658	0.6
914.98474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	47.4
69.03435	8.9
69.07073	22.7
69.30154	0.8
69.30473	7.6
71.04999	5.0
71.08633	27.7
73.02900	1.9
79.05494	33.4
81.03413	9.1
81.07057	64.9
83.04982	9.3
83.08157	1.2
83.08627	18.0
85.02908	11.6
85.06530	3.7
85.10187	17.2
89.06040	1.8
91.03964	4.3
91.05481	28.3
93.07047	37.5
95.04968	6.7
95.08609	42.8
97.02888	8.1
97.06536	9.9
97.10168	7.9
99.04456	2.6
99.08060	2.3
99.11713	1.4
103.07568	1.0
105.07034	22.1
107.04951	6.6
107.08599	22.2
109.02874	2.3
109.06538	5.3
109.10159	19.5
111.08074	3.4
111.11723	1.1
113.09704	0.9
115.05402	1.2
117.07017	11.9
119.08588	16.7
121.06515	4.0
121.10133	10.9
123.08058	2.7
123.11711	6.3
125.09631	3.7
127.03935	5.0
129.05479	2.2
129.06984	3.3
129.88576	0.9
131.08571	14.2
133.06505	1.0
133.09241	0.5
133.10138	14.7
135.08037	3.1
135.11694	12.9
137.09605	2.7
137.13257	1.1
139.11201	1.0
141.07037	1.3
142.07721	1.2
143.08577	2.5
145.04962	2.4
145.06351	1.0
145.10129	11.3
147.08020	1.2
147.11710	8.0
149.09598	11.9
149.13257	12.4
151.11200	2.5
151.14854	0.9
155.08525	1.5
157.10112	3.4
159.08087	1.1
159.11716	9.1
161.09666	1.6
161.13271	3.7
163.06001	1.6
163.11192	6.4
169.10165	2.4
171.11674	3.0
173.04453	2.9
173.13222	4.3
175.11168	1.9
177.12714	3.4
179.14316	1.4
181.12268	1.4
183.11700	1.9
185.13286	2.1
187.11171	1.8
187.14746	1.0
189.11198	1.0
195.13853	5.2
197.13304	1.3
199.14857	1.0
210.03664	0.9
217.15926	2.1
219.13843	0.9
219.17520	0.9
227.12714	4.5
229.14374	3.1
229.19548	1.5
235.17007	1.2
239.17996	3.2
239.23715	3.4
247.20552	1.6
252.86819	0.9
255.15895	15.2
257.19031	8.4
257.24786	2.2
267.15979	2.2
269.17490	33.2
270.17810	1.1
275.16949	1.1
275.20059	23.1
291.19595	1.5
293.17838	1.5
293.21173	3.0
309.20587	3.4
313.27365	96.7
314.27737	3.4
321.17273	0.9
331.22635	2.5
349.23724	29.6
367.24857	5.3
395.20886	1.2
413.21524	2.6
467.37366	4.8
493.38904	20.4
507.40466	100.0
508.40610	3.8
547.43439	6.6
559.47345	1.3
569.45557	1.1
587.46735	42.3
588.47180	1.1
605.47675	11.0
651.44397	3.0
749.51428	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	962.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04809	1.8
67.05197	3.9
67.05505	36.4
69.03428	3.0
69.07065	11.1
71.04992	3.2
71.08636	16.1
71.43823	0.7
73.02929	1.5
79.05492	22.0
81.03418	5.0
81.07055	41.5
83.04976	8.4
83.08622	8.3
84.48478	0.8
85.02908	5.2
85.06553	4.2
85.10194	8.0
89.06013	1.6
91.03944	2.3
91.05483	35.3
93.07043	22.2
95.04974	5.9
95.07998	1.1
95.08606	20.8
97.02889	3.7
97.06526	3.1
97.10156	4.0
99.04456	1.4
99.11761	1.1
105.04516	1.5
105.07034	30.0
107.04954	6.3
107.08598	22.2
109.06519	5.4
109.10157	31.1
111.08103	2.6
113.06005	1.4
115.05483	1.3
117.07018	7.4
119.08585	9.2
121.06501	5.9
121.10151	7.3
123.08080	3.0
123.11700	7.9
125.09651	1.6
127.07506	1.4
127.62870	0.8
129.07004	3.6
131.08549	8.5
133.06490	5.0
133.10133	44.6
135.08040	6.0
135.11676	4.0
137.09598	1.7
137.13248	1.0
139.07565	1.2
141.07060	0.9
143.08585	3.5
145.10132	5.7
146.07178	0.9
147.08047	3.7
147.11693	4.0
149.09602	4.9
151.11188	19.9
153.09131	1.0
155.08447	0.9
157.10150	3.4
159.08054	2.0
159.11720	3.2
161.09616	5.8
161.13266	1.7
163.07454	1.1
163.11151	1.5
169.12285	3.4
171.11681	3.4
173.09627	1.2
173.13338	1.1
175.11171	3.2
177.09160	2.0
177.12717	0.9
179.10666	1.8
184.07387	1.8
185.13356	1.4
187.11200	1.1
189.12737	1.6
195.11861	0.9
199.11255	1.0
203.14314	0.8
215.12830	2.8
223.13185	1.5
227.12743	1.0
227.18085	1.4
227.20189	0.9
239.23595	1.2
245.19011	5.6
251.12695	4.9
253.14357	70.4
255.17429	2.6
263.20068	2.8
271.15308	0.8
273.18497	28.6
291.19531	28.3
309.20569	3.1
313.27365	55.0
341.26892	1.5
347.22171	12.5
365.23230	47.9
366.23315	1.6
442.67090	0.9
507.36523	2.5
509.38297	9.4
523.40002	1.6
585.45276	7.4
603.46198	100.0
604.46332	3.8
621.46985	2.8
713.18982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04812	1.5
67.05207	3.6
67.05509	33.6
69.03429	3.0
69.07073	10.8
71.04990	3.7
71.08635	13.3
71.19968	1.6
71.20299	0.8
73.02924	1.4
79.05497	20.4
81.03425	3.5
81.07057	44.0
83.04978	7.2
83.08620	6.6
85.02919	5.8
85.06557	4.2
85.10198	8.7
86.09702	2.4
89.06017	1.9
91.03949	2.1
91.05486	33.8
92.04903	0.7
93.07047	22.6
95.04969	7.2
95.08614	21.4
97.02883	3.6
97.06532	4.0
97.10161	3.9
97.47771	0.8
99.04448	2.2
105.07034	28.3
107.04966	4.1
107.08597	25.1
109.06515	4.7
109.10161	35.4
111.04439	1.2
111.08079	2.6
113.06018	2.3
117.07030	4.2
119.08571	9.2
121.06496	5.2
121.10138	3.4
123.08080	2.4
123.11722	8.5
124.99984	1.5
125.09625	1.2
127.03881	0.8
127.07552	2.1
128.06248	0.8
129.07005	2.6
131.08583	8.0
133.06509	4.1
133.10141	47.3
134.04570	0.8
135.08057	4.9
135.11694	2.6
137.09615	1.5
137.13264	0.9
142.07813	1.0
143.08557	2.5
145.10110	4.8
147.08063	1.7
147.11705	2.3
149.09619	3.8
151.11194	21.1
157.10104	2.3
157.84460	0.7
159.08038	1.2
159.11702	1.2
161.09613	5.8
161.13290	1.0
163.11223	2.0
167.24886	0.7
169.12251	3.4
171.11690	1.0
175.11174	1.6
177.09166	1.3
179.10719	0.9
184.07341	6.8
185.13229	1.2
189.12733	1.5
205.12419	0.9
215.12816	1.6
245.19002	4.2
251.12807	3.6
253.14368	100.0
255.17307	1.3
257.24854	1.7
263.20081	2.5
271.15332	1.0
273.18512	23.1
291.19571	23.1
305.35873	0.8
308.75653	0.7
309.20660	2.2
313.27365	54.7
314.27643	1.3
341.26913	2.7
347.22278	8.5
365.23230	32.2
366.23618	1.1
507.36691	2.3
509.38391	17.7
547.39874	0.9
585.45197	7.0
603.46216	87.4
604.46460	3.8
621.47162	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	962.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04761	1.0
67.05175	5.2
67.05464	18.4
69.03426	7.1
69.07067	20.2
71.04951	1.7
71.08634	13.0
73.02905	1.2
77.03918	0.7
77.36639	0.5
79.05495	15.2
81.03428	4.3
81.07056	19.2
83.04986	2.8
83.08621	10.8
85.02913	3.6
85.06491	0.8
85.10179	9.4
86.09666	0.6
86.10593	0.5
87.04420	0.9
89.06004	1.9
91.03918	2.1
91.05476	10.6
93.07041	11.6
94.30519	0.5
94.45136	0.5
95.04964	4.9
95.08603	15.4
97.02890	9.1
97.06490	2.2
97.10171	11.6
103.05383	0.5
103.07551	0.7
105.06419	0.6
105.07027	9.8
107.04948	4.4
107.08596	9.2
109.06477	2.2
109.09493	0.8
109.10155	10.2
111.08047	1.3
117.07020	5.1
117.09140	0.7
119.04926	1.4
119.07800	0.7
119.08578	8.1
121.06438	1.9
121.10175	3.4
123.08054	2.5
123.11669	2.2
124.99931	0.6
125.09624	6.9
125.13274	0.6
127.03879	1.0
128.06259	0.6
129.05424	0.6
129.07019	2.9
130.07660	0.5
131.08553	5.3
133.06494	2.4
133.10133	3.6
134.07285	0.7
135.08084	2.8
135.11653	2.0
137.09596	1.3
137.13237	0.9
143.08583	3.0
145.04852	0.5
145.06462	0.9
145.10114	4.0
147.08041	5.2
147.11646	1.9
149.09566	0.7
149.13222	1.2
151.11130	0.7
155.08502	0.9
157.10092	2.2
159.07828	0.7
159.11649	1.4
161.09581	2.2
162.10393	0.7
163.06032	0.8
163.11169	1.2
165.09111	1.0
165.12819	0.5
169.12238	0.6
169.27933	0.5
171.10190	0.8
171.11618	0.7
173.13295	0.6
175.11148	2.5
177.12779	1.1
179.10670	0.5
184.07329	0.9
185.13208	0.7
187.11183	0.7
188.42117	0.6
189.11252	2.6
193.12192	0.8
195.13783	0.9
205.12273	1.7
211.13361	0.7
223.13301	16.5
227.12811	4.2
239.23672	1.4
245.19028	0.8
249.14787	2.5
255.17488	1.4
257.24701	1.6
267.15942	1.7
273.18484	13.3
283.15326	0.7
291.19540	86.2
292.19870	1.8
309.20547	0.9
313.27365	73.5
314.27597	0.9
347.22150	3.3
352.20313	0.6
365.23236	65.4
366.23608	1.4
367.83240	0.5
450.08585	0.7
483.37299	1.3
505.39044	1.5
523.39984	6.1
535.40302	0.8
544.37457	0.5
585.44891	2.3
603.46198	100.0
604.46667	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	962.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04799	1.5
67.05186	4.7
67.05503	21.8
69.03430	5.5
69.07068	19.2
71.04975	2.2
71.08302	1.2
71.08631	15.2
73.02906	1.5
79.05072	1.1
79.05492	13.7
81.03396	3.8
81.07054	24.5
83.04976	2.3
83.08618	11.4
85.02901	4.3
85.06538	1.8
85.10185	6.7
85.40457	0.8
89.06003	1.8
91.03943	2.5
91.05471	13.1
93.07043	12.1
95.04962	7.3
95.08608	18.4
97.02876	9.0
97.06521	2.9
97.10165	9.0
98.21597	2.0
99.08116	1.4
103.07555	1.6
105.07024	9.8
107.04930	4.4
107.08588	7.5
108.37621	0.8
109.06517	4.2
109.10136	11.5
111.04401	0.8
111.08067	2.0
114.01137	0.8
117.06976	4.8
119.04910	1.0
119.08586	7.9
121.06486	3.2
121.10120	3.6
123.04453	0.8
123.08067	1.9
123.11696	2.4
125.09658	5.4
127.03845	1.0
127.07554	2.0
128.06239	1.2
129.06973	3.6
130.29353	0.9
131.08560	6.0
133.06461	2.0
133.10127	5.8
135.08037	3.8
135.11690	1.9
137.09605	1.3
143.08531	2.8
145.04897	0.9
145.10110	3.4
147.08028	3.5
147.11623	1.3
149.09631	1.6
149.13225	1.4
151.11191	1.4
157.10143	2.4
161.09616	2.4
163.05956	1.0
163.11157	1.2
165.09047	1.3
169.12338	0.9
171.10246	1.0
189.11241	1.4
205.12181	1.2
211.13153	1.2
223.13264	11.4
227.12737	2.7
230.11716	0.7
239.23724	2.1
245.19081	1.6
249.14848	3.1
253.14384	4.3
255.17500	0.8
257.24728	1.8
260.10468	0.8
263.20154	0.9
263.84698	0.8
267.15884	1.6
273.18463	14.1
291.19528	64.1
292.19791	1.0
313.27359	70.1
314.27686	1.5
347.22153	3.1
365.23203	49.0
505.38870	1.0
523.39911	3.8
535.39008	1.0
567.45282	1.1
585.45361	4.4
603.46179	100.0
604.46649	4.0
621.46216	1.0
658.02594	1.0
962.55872	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	962.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01848	0.3
67.05509	0.5
68.05022	0.2
68.99778	1.8
69.03428	0.5
70.06588	100.0
71.06909	0.8
71.50176	0.2
71.50564	0.3
76.35388	0.2
77.03931	0.6
79.05489	1.4
81.03416	1.2
81.07049	0.8
83.48485	0.2
89.03907	2.0
91.05470	1.9
93.03407	0.9
95.04965	1.5
96.08126	0.8
103.05461	1.6
105.03393	0.4
105.07043	0.5
107.04956	3.3
109.02893	0.4
109.05909	0.2
109.06509	1.4
111.00797	0.4
111.04440	0.7
115.05440	0.3
117.03423	1.4
119.04934	2.2
121.02894	0.5
121.06552	0.3
123.04422	12.1
127.03899	2.5
131.04936	1.6
133.02815	0.3
133.06564	0.4
135.04405	42.2
136.04800	0.4
137.02364	0.8
137.05971	8.6
138.09161	0.5
139.03906	5.9
141.94232	0.2
143.04938	0.4
147.04370	2.0
149.02342	0.4
149.05984	0.8
151.03862	1.7
153.05452	3.2
153.06696	0.3
153.07086	0.3
157.06471	0.2
159.04419	2.0
161.05977	1.7
163.03893	39.8
164.04601	1.0
165.05466	21.2
165.46672	0.2
166.05849	0.3
169.06448	0.3
171.04378	0.3
173.05998	0.8
175.03915	1.5
176.07106	0.9
177.05466	3.7
177.06894	0.3
178.07701	0.3
179.03407	0.9
180.10188	0.2
181.06380	0.4
185.06007	0.4
187.03880	6.3
187.07542	0.4
188.07063	0.3
189.05457	1.6
191.03423	0.7
191.07071	0.4
193.06602	0.3
197.05988	0.7
199.07516	0.3
201.05470	1.2
203.03392	1.0
203.07072	0.3
205.04964	3.3
205.06708	0.3
207.02933	0.4
207.06409	0.3
207.08151	0.4
208.33751	0.2
211.07637	0.7
213.05484	0.5
215.03386	0.4
215.07060	0.5
217.04950	1.7
221.05888	0.2
227.07072	0.9
229.04991	2.0
231.06612	0.4
233.04446	0.4
235.07594	0.6
239.07045	0.9
241.04901	1.1
241.08725	0.3
243.03000	0.3
243.06456	0.6
245.04562	0.6
247.05998	3.0
253.04968	0.3
253.08650	0.6
255.06464	1.5
257.04391	1.7
258.05225	0.2
259.06006	1.4
259.11176	0.3
263.07019	0.7
265.05023	0.4
267.06628	1.1
269.04498	0.7
269.08026	0.6
271.05957	3.2
271.08408	0.3
273.07614	1.2
275.05493	0.5
279.06567	0.6
281.04474	0.4
281.08096	0.8
283.06009	6.9
283.09073	0.5
284.06528	0.3
285.07550	7.9
287.05417	1.5
289.07010	2.1
291.08762	2.3
293.07944	0.3
295.05966	1.5
297.07422	1.4
299.05588	0.7
299.09189	0.7
301.07031	2.6
307.06009	0.5
309.04129	0.4
309.07425	2.7
311.05475	0.4
313.07028	1.0
315.08585	1.8
319.06000	0.3
321.07825	0.3
323.05707	0.5
325.07037	1.3
327.05072	0.2
327.08624	4.6
333.07523	0.5
335.05356	0.4
338.10257	1.0
342.13446	0.3
345.07907	0.3
361.06808	0.3
366.13324	0.3
384.14389	9.7
385.14886	0.5
387.08936	0.4
389.06586	0.9
391.07886	0.4
399.08698	0.4
403.08185	0.5
407.07639	0.3
409.09128	3.1
411.10849	0.9
417.09674	1.0
419.07550	0.7
421.09235	0.8
423.10733	0.6
427.10333	1.4
431.07571	1.8
433.09286	1.3
435.10666	0.6
437.08243	0.3
443.07574	0.7
445.09210	1.4
451.10345	2.1
463.10187	4.0
508.21295	0.2
555.12427	0.3
565.10919	0.7
567.12897	0.3
571.12280	0.8
579.14813	3.8
583.12146	0.5
584.14868	0.3
585.13751	0.7
589.13513	0.7
597.13239	0.4
603.15070	1.8
615.14807	3.5
617.16718	0.6
672.20441	0.7
699.17120	1.1
723.17157	0.8
735.16821	0.7
741.17468	0.4
753.18182	2.3
792.22321	0.5
794.02686	0.2
893.23151	0.5
905.22998	2.1
962.28595	20.4
963.28363	1.6
991.23212	0.2
997.32507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.1
69.03431	2.8
69.07063	1.0
71.05010	0.6
71.50732	0.6
73.02917	3.1
79.05494	1.8
80.78770	0.3
81.03435	1.5
81.07053	3.8
81.30237	0.4
84.39674	0.4
85.02909	5.5
89.85386	0.4
91.03959	3.3
91.05493	0.9
93.07032	2.3
95.08593	2.6
97.02890	4.8
99.04449	0.7
101.02380	1.8
105.07037	0.7
107.08626	1.2
109.10191	1.4
114.45458	0.4
119.08617	0.5
121.10184	0.7
127.03938	1.7
130.07375	0.4
133.10168	0.4
135.11691	1.0
140.37601	0.4
147.11722	0.5
149.13283	0.5
203.05353	0.9
243.08401	2.1
248.77219	0.5
261.22195	0.5
335.25851	0.8
336.26266	0.6
341.30606	0.8
342.30972	0.6
347.09427	1.7
365.10867	0.8
405.13672	3.2
519.29272	4.3
521.30792	3.1
681.34717	4.5
683.36188	3.8
961.58563	100.0
962.58813	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	960.589
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	17.4
69.03432	4.6
69.07067	7.3
71.05002	0.4
71.08633	6.6
71.50454	0.5
73.02915	0.7
79.05493	16.7
81.03385	0.9
81.07056	15.5
81.74454	0.5
83.04980	3.0
83.08619	18.0
83.18835	0.4
85.02893	1.5
85.06535	0.9
85.10175	4.5
89.06043	0.6
91.03946	0.7
91.05482	20.9
93.07041	7.0
95.04943	1.2
95.08610	7.7
97.02861	1.2
97.06516	0.7
97.10169	41.5
101.09640	0.6
103.05471	0.9
105.06461	0.4
105.07035	3.6
107.04933	1.2
107.08595	15.9
109.06492	0.6
109.10155	6.7
111.08061	1.3
115.05473	3.2
117.07020	16.8
119.04906	0.4
119.08582	36.4
121.06474	1.7
121.10156	0.6
123.11681	1.1
125.09631	38.1
127.03872	0.4
128.06183	1.3
129.06969	1.5
131.08586	2.8
133.06491	1.0
133.10106	1.2
135.08064	8.3
135.11694	0.7
141.06943	1.0
142.07759	1.0
143.08551	4.2
143.10670	1.5
145.06488	15.7
145.10107	1.5
147.08022	1.9
149.09555	0.5
153.09113	2.7
155.08553	2.2
157.06496	0.5
157.10120	3.1
159.08055	6.4
159.11676	0.7
161.09651	2.0
163.06230	0.4
163.07523	1.2
169.10130	1.6
171.08029	0.6
171.10199	2.9
171.11554	0.8
173.09621	1.8
173.11786	0.5
183.11697	1.0
185.09506	0.5
187.11247	0.6
189.11215	23.1
193.12050	0.4
203.71486	0.4
207.11469	0.5
223.13313	0.6
225.16386	1.8
227.12779	100.0
228.13094	1.5
235.14891	0.8
239.23512	0.7
243.17451	2.4
245.13852	0.7
253.15797	2.4
257.24796	0.9
271.16928	42.4
272.17126	0.6
273.33688	0.5
289.15143	0.3
289.17972	8.6
291.19614	1.4
311.25885	1.9
313.27359	22.3
327.19656	0.5
345.20612	10.5
363.21625	14.9
365.23151	1.8
483.36737	9.4
583.43573	29.2
584.43964	1.2
601.44604	54.4
602.45001	2.9
627.40924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	0.6
69.07053	0.4
70.06593	96.4
71.03960	0.7
71.06919	0.9
72.08157	3.0
79.05527	0.4
81.03426	1.0
81.07076	0.5
84.08123	0.6
85.02885	0.3
86.09708	17.0
91.05471	0.9
95.04974	0.5
97.02828	0.3
98.06053	9.7
104.05338	1.2
105.07043	0.5
114.05570	0.5
115.05449	0.5
117.37952	0.4
118.06879	59.2
119.04942	0.7
119.07250	0.7
120.08082	0.5
126.05511	8.1
127.08694	1.1
130.06523	5.3
132.04802	3.3
132.08081	1.7
138.09123	0.5
144.08139	0.9
145.02876	0.7
146.06055	0.6
147.04436	0.5
158.09988	0.6
159.09198	9.0
163.03868	0.4
167.11801	2.7
169.07596	0.7
170.05998	2.6
173.06165	0.5
174.05830	1.2
175.11139	0.4
177.05470	1.0
180.10127	0.4
183.14932	20.7
195.11284	3.5
201.10565	17.0
203.12086	1.0
203.13884	5.6
204.11342	0.5
207.06525	0.6
208.09769	0.5
208.26486	0.4
209.39876	0.4
211.12349	0.9
211.14418	10.1
223.12314	4.1
225.13928	0.8
229.10143	0.5
239.11778	1.6
242.16542	0.7
243.11636	0.5
249.10921	19.0
256.14462	1.6
258.15979	0.4
267.11340	0.7
277.10406	10.7
280.20227	0.7
284.13861	1.7
286.15411	0.6
300.19183	10.3
308.19684	4.0
346.32443	0.4
348.17706	0.6
374.15555	1.2
376.17227	15.9
381.19012	0.7
397.24466	100.0
398.24637	3.2
408.46140	0.4
429.19315	0.6
494.27524	1.1
518.26245	2.3
534.25708	4.0
542.24493	0.8
562.25195	5.9
563.25763	0.4
566.29645	1.5
583.32495	7.1
584.32385	0.5
631.30334	0.7
649.31561	0.5
659.30334	8.8
660.30963	0.5
686.20068	0.5
722.79315	0.5
746.32367	0.5
764.34277	0.6
869.42578	0.7
943.23505	0.4
958.47333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	92.8
69.03426	4.7
69.07069	31.0
70.79928	2.5
70.89458	0.8
71.01359	1.0
71.04977	2.7
71.08614	2.4
73.02934	5.8
79.05490	45.6
81.03400	2.7
81.07055	99.3
83.04973	2.2
83.08150	1.5
83.08616	17.4
84.60651	0.8
85.02904	25.3
85.06545	2.0
85.10151	0.9
91.03414	1.4
91.03952	16.3
91.05476	29.8
93.07045	56.4
94.07340	1.3
95.04949	3.6
95.08607	81.2
96.08920	1.3
97.02892	13.2
97.06559	4.6
97.07074	0.8
97.10158	8.8
99.04462	2.2
99.08074	2.2
105.04464	2.0
105.07030	25.3
107.08591	30.2
109.06451	1.4
109.10157	32.1
110.10505	1.1
111.08068	2.0
111.11711	2.3
115.03923	1.5
117.07006	6.5
119.08585	19.8
121.10144	27.7
121.30907	1.0
123.08047	2.8
123.11708	13.2
124.11994	1.0
125.09628	1.2
127.03894	5.9
129.07011	2.7
131.08548	14.2
132.86946	0.9
133.10130	18.9
135.07974	1.0
135.11691	20.0
137.09599	2.0
137.13245	5.1
139.11172	1.3
143.08559	1.9
145.04976	7.9
145.10141	10.4
147.11679	14.0
149.09610	1.4
149.13268	12.6
151.14774	1.6
157.10069	1.6
159.11705	9.9
161.13251	10.8
163.06024	10.7
163.11195	1.6
163.14809	9.0
165.12724	1.8
165.16457	1.3
168.91255	1.0
169.10072	1.1
171.11679	2.0
173.13272	8.3
175.14861	6.1
177.12813	1.7
177.16365	2.9
179.17920	0.9
179.46593	0.9
184.64372	1.0
185.13199	2.3
187.14781	4.5
189.16353	2.7
191.14221	1.0
199.14815	1.5
201.16359	1.9
203.18112	1.3
205.19487	1.3
215.17912	1.9
217.19366	1.0
231.20998	1.2
233.22687	2.2
241.19565	3.5
243.21162	10.2
244.17938	0.9
245.22636	4.1
247.24173	1.1
253.04247	0.9
259.20566	7.9
261.19449	1.7
261.22171	30.8
263.23694	6.5
275.19904	1.0
275.23892	1.7
301.25278	1.2
315.23138	1.1
317.24768	3.9
325.27505	1.1
333.24338	7.0
335.25803	93.4
336.26190	3.8
337.27368	100.0
338.27597	2.5
339.28986	8.3
389.30542	0.9
431.35046	1.2
491.36813	1.4
523.45178	5.8
541.46057	2.8
545.42328	1.9
597.48804	40.9
598.48694	1.9
615.49817	57.4
616.50012	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	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	68.7
69.03410	2.7
69.06730	1.6
69.07068	16.0
69.26206	2.2
69.26614	7.7
71.04972	1.6
73.02916	4.7
74.78350	0.9
77.03937	1.3
79.05492	42.1
81.03407	2.5
81.07053	68.6
83.04974	2.6
83.08618	8.4
85.02123	0.9
85.02908	20.0
85.06512	1.4
89.51395	0.9
91.03951	11.7
91.05474	26.7
93.07043	56.5
93.70290	0.9
94.07333	1.0
95.04969	3.3
95.08605	51.4
97.02895	8.6
97.06525	3.5
97.10175	3.0
99.04420	1.6
99.08054	2.2
105.07030	23.1
107.08588	29.3
109.06493	1.5
109.10156	23.2
111.08073	2.4
117.07005	9.5
119.08583	18.3
121.10149	24.1
123.08042	1.8
123.11721	9.7
127.03896	3.0
127.59084	0.9
129.07008	2.2
131.08577	13.4
133.10129	17.4
134.40915	0.9
135.11699	16.8
137.09581	0.9
137.13268	2.3
143.08551	2.5
145.04932	6.2
145.10136	11.8
146.95404	1.1
147.11707	10.5
149.09613	1.2
149.13261	10.7
151.14850	1.3
157.10156	2.3
159.11694	9.2
161.13258	10.6
163.06021	7.3
163.14821	4.6
170.71671	0.9
171.11697	3.5
173.13297	7.8
175.14810	3.6
177.16418	1.9
185.13255	2.2
187.14825	4.3
189.16354	1.8
193.22333	0.9
197.13290	1.3
199.14842	2.2
201.16382	1.6
213.16411	1.2
215.17903	1.8
241.19649	4.7
243.20988	4.5
245.22668	1.1
259.20544	9.4
261.22150	19.9
262.22571	1.1
263.23557	1.4
267.21136	0.9
299.23645	1.1
317.24734	3.0
333.24225	7.9
335.25803	100.0
336.26117	2.2
337.27234	11.1
355.30020	1.1
504.09277	1.1
521.43524	3.3
539.44855	1.1
595.47266	14.1
613.48315	19.5
927.20935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	13.8
67.05843	1.3
69.03417	0.6
69.07071	11.6
71.04997	1.1
71.08632	7.3
73.59861	0.6
79.05075	0.9
79.05499	11.7
81.03423	2.7
81.07059	22.3
83.04982	1.7
83.08625	5.4
85.02888	0.7
85.06551	0.8
85.10180	4.3
89.06080	0.9
91.05486	19.2
93.07046	11.7
95.01318	3.6
95.04974	3.1
95.08610	15.9
97.06538	7.8
97.10179	2.0
98.21505	2.0
102.29836	0.6
103.05487	0.9
105.07033	31.3
107.04953	7.1
107.05561	0.9
107.08591	6.3
109.06546	1.7
109.10156	5.1
111.04464	0.6
111.08102	1.4
113.58105	0.5
115.05476	0.7
117.07020	5.5
119.08591	14.9
121.06495	1.6
121.10120	3.8
123.04427	1.1
123.08099	1.4
123.11736	1.4
125.09657	0.7
129.07025	1.1
131.08580	7.7
133.10133	15.9
135.08006	1.3
135.11705	2.5
139.07602	0.6
143.08568	1.6
145.10133	7.1
147.11711	5.7
149.09634	2.8
149.13191	1.1
155.08586	1.2
157.10091	1.4
159.11656	3.4
161.13280	2.4
163.11096	1.1
169.10110	1.2
171.11781	0.7
173.13243	1.0
177.12772	1.3
179.14352	4.8
183.11650	0.6
185.13274	0.6
187.11246	2.1
208.18355	0.7
219.17372	4.8
239.23785	0.6
247.20561	1.0
257.19016	2.3
275.20074	27.6
277.29300	0.6
293.21036	0.8
313.27371	24.4
327.29041	0.9
349.23773	16.0
436.57538	0.7
548.95422	0.6
562.39441	0.6
587.46704	100.0
588.47266	5.2
629.70386	0.7
769.57336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.6253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	38.7
69.07062	17.0
71.05010	3.5
71.08636	27.6
71.49619	3.4
71.53156	2.5
73.02901	6.3
78.83847	3.2
79.00054	2.9
79.05490	24.7
81.03464	2.7
81.07056	46.7
83.04974	4.0
83.08624	10.6
85.02901	13.8
85.10197	15.3
89.06021	4.0
91.03973	6.5
91.05486	37.0
93.07052	36.1
95.04931	4.6
95.08606	40.8
97.02879	6.1
97.06503	3.7
97.10166	7.6
101.89226	2.7
105.07030	52.1
107.08595	15.5
109.06473	2.8
109.10130	14.4
117.06980	13.3
117.09130	2.8
117.88699	2.6
119.08579	39.2
121.10134	17.2
123.08125	3.0
123.11691	6.7
127.03910	3.0
129.07034	7.2
131.08572	16.4
133.10136	29.8
135.11726	12.8
143.08559	9.5
145.04971	6.3
145.10153	15.2
146.15059	3.4
147.11681	34.1
149.13292	7.5
157.10173	6.2
159.11702	11.2
161.13277	28.6
163.06001	4.1
163.14798	4.6
163.99919	2.7
171.11700	10.8
173.13268	8.8
175.14832	9.4
176.44508	2.6
185.13312	7.4
199.14861	5.7
231.21083	4.5
241.19566	27.7
259.20587	94.4
260.20825	3.8
289.29355	3.7
313.27368	100.0
314.27637	5.8
315.23227	3.8
333.24231	59.0
367.22766	3.6
571.47137	19.4
588.47156	3.7
589.48218	58.9
697.49463	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	941.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.5
69.03441	2.7
69.07071	0.6
71.01343	0.7
71.04982	0.8
73.02917	3.4
77.89175	0.3
78.49763	0.3
79.05497	2.2
81.03416	2.2
81.07060	2.4
85.02902	4.7
91.03954	3.1
91.05499	1.8
93.07043	2.5
95.04986	0.6
95.08609	1.8
97.02903	4.9
99.04459	0.6
101.02354	1.5
105.07039	1.3
107.08618	1.3
109.02905	0.8
109.10155	0.8
115.03964	0.4
117.07041	0.3
119.08606	0.6
121.10181	1.0
123.04454	0.8
126.73100	0.3
127.03934	1.2
129.07039	0.5
131.08598	1.3
133.10106	0.8
135.11696	0.6
145.04883	0.3
147.11761	0.5
149.09639	0.5
151.03922	0.4
153.05461	0.4
170.80998	0.3
185.04277	0.7
193.12387	0.3
203.05342	0.6
203.63902	0.3
243.08400	1.8
282.19553	0.3
283.06512	0.6
283.15179	2.0
323.19708	0.3
335.26147	0.9
339.17743	0.4
347.09509	1.9
363.09097	0.4
365.10602	0.8
405.13690	5.2
501.23132	5.0
519.29346	6.6
627.39233	0.5
663.28455	3.6
681.34680	7.2
779.45642	1.8
941.50757	100.0
942.51147	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	944.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.5
68.05021	0.7
69.94682	1.3
70.06592	99.6
71.06931	0.6
72.08156	4.6
79.05495	0.6
81.03416	0.4
81.07052	0.5
83.08654	0.3
84.08141	0.3
85.02917	0.5
86.09705	10.9
89.04325	0.3
91.05492	1.0
92.35810	0.3
93.07059	0.5
94.06651	0.3
95.04942	0.4
95.08583	0.3
98.06062	9.2
98.21369	0.3
103.35715	0.3
104.05334	1.6
105.07056	0.4
107.08599	0.3
111.09246	0.4
114.05508	0.4
115.05428	0.3
116.07102	0.4
118.06878	64.9
119.07238	0.4
119.08551	0.3
120.08083	0.4
125.07124	0.5
126.05516	6.4
127.08680	2.1
130.06529	5.9
132.04778	2.3
132.08104	1.9
133.10136	0.5
134.09633	0.3
136.07616	0.4
137.05986	0.5
142.06558	0.3
144.08160	1.0
146.06032	0.6
147.04460	0.4
147.07965	0.3
153.06560	0.4
153.10196	0.4
155.08104	0.4
158.09969	0.6
159.09184	10.7
164.07146	0.3
165.10191	0.3
167.11787	1.6
169.07687	0.3
170.06018	3.0
174.05827	0.8
175.03920	0.3
177.05429	0.6
180.10199	0.6
182.08389	0.4
183.14928	19.5
187.08627	0.5
189.12340	5.4
195.11290	3.2
196.11234	0.4
201.10568	18.4
203.12132	0.8
207.06552	0.6
209.10767	0.3
211.12334	1.6
211.14398	10.9
223.12308	3.8
225.13892	0.6
229.10020	0.5
239.11818	1.6
239.14078	0.3
242.16628	0.5
243.11717	0.4
249.10913	23.4
250.11482	0.5
256.14453	1.2
267.11298	0.3
269.12927	0.3
276.19699	0.5
277.10391	12.8
280.20279	0.8
284.14017	2.5
286.17639	14.9
304.18967	1.6
308.19656	2.4
322.20081	0.6
371.19159	0.5
373.20575	0.5
374.15665	1.0
376.17239	14.7
377.17468	0.3
380.14545	0.3
381.19012	0.3
383.22879	100.0
384.23267	1.9
413.17978	0.3
429.19727	0.5
433.18890	0.3
492.44623	0.4
494.27286	0.6
518.26105	2.4
530.24786	0.7
534.25677	4.6
542.24481	0.4
552.28204	2.0
562.25165	8.1
563.25708	0.4
569.30804	7.1
620.33716	0.8
631.30243	0.3
650.95892	0.3
659.30560	7.1
756.35663	0.5
782.38684	1.0
841.42493	0.4
869.43372	1.0
877.27936	0.3
944.46198	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	940.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	86.2
68.03397	1.7
69.03420	3.5
69.06718	2.4
69.07066	22.5
71.04994	1.9
71.08631	2.0
71.10352	2.4
71.10665	1.8
73.02901	6.7
79.05492	62.6
81.03409	2.4
81.07057	100.0
81.11484	1.3
83.04971	1.9
83.08620	11.8
85.02914	22.9
85.06539	1.7
87.04479	1.6
89.06024	1.7
91.03958	19.3
91.05476	41.6
93.07049	69.5
95.04966	4.1
95.08606	78.8
96.04448	1.7
97.02892	17.4
97.06497	3.6
97.10139	5.0
99.04409	1.7
99.08103	1.8
102.74673	1.4
103.07647	1.3
105.04506	1.7
105.07032	35.4
107.08603	42.6
109.06514	3.8
109.10162	31.7
111.08028	1.6
117.07014	14.0
119.08580	28.5
121.10149	37.8
123.08055	2.2
123.11722	11.7
127.03899	6.8
129.07030	3.0
131.08571	23.7
133.10133	25.2
135.11688	28.1
137.09630	2.5
137.13240	3.4
143.08559	3.0
145.04927	8.1
145.10127	21.5
147.11700	21.3
149.13260	13.3
151.11166	1.4
157.10121	5.3
159.11691	13.7
161.13226	11.6
163.06026	9.8
163.14836	4.2
171.11661	6.1
173.13272	13.7
175.13367	1.9
175.14815	6.4
185.13245	5.6
187.14775	5.8
197.13264	1.9
199.14874	2.7
201.16371	4.0
203.17908	1.7
215.17928	2.6
227.17903	3.6
229.19499	5.0
241.19624	3.3
243.21042	4.9
245.19008	5.8
247.20595	13.4
249.22200	1.9
259.20602	8.2
261.22171	16.0
263.23752	1.9
315.23242	1.7
317.24899	2.8
319.22656	5.4
321.24234	80.4
323.25607	8.8
333.24246	5.6
335.25793	69.0
337.27228	8.7
489.41272	2.2
490.39758	1.4
507.41959	4.4
525.43372	1.8
581.45685	26.7
599.46661	28.4
600.70514	1.6
940.59521	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	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.1
69.03429	3.0
69.07070	0.7
71.01364	0.6
71.04982	0.3
71.08640	0.9
71.23141	0.3
73.02915	3.7
79.05498	1.4
81.03402	1.5
81.07060	2.2
81.94139	0.2
83.08611	0.4
85.02910	5.3
85.10183	0.6
87.04468	0.3
91.03954	2.8
91.05494	0.8
93.07037	1.2
95.08604	2.2
97.02893	5.1
97.10162	0.2
99.04465	0.8
101.02373	1.8
103.03948	0.5
105.07045	0.6
107.08589	0.4
109.02904	0.7
109.10194	0.8
115.03997	0.2
115.55886	0.2
119.08628	0.3
121.10158	0.5
123.11763	0.3
127.03929	1.4
129.05507	0.2
133.10173	0.3
135.11761	0.3
137.13280	0.2
145.04990	0.4
145.10184	0.2
155.17982	0.2
159.11816	0.3
185.04282	0.6
203.05322	0.8
243.08405	1.7
313.27441	0.5
335.25833	0.5
347.09595	2.3
363.09308	0.3
365.10684	0.8
405.13702	4.9
497.30927	3.1
519.29279	4.4
531.88416	0.2
659.36029	3.1
681.34552	5.7
768.25427	0.2
775.53351	0.9
937.58575	100.0
938.58734	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	935.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.9
69.03437	3.4
69.07066	1.7
71.05004	0.7
73.02919	3.6
79.05506	1.3
81.03419	1.9
81.07053	2.0
83.08629	1.0
85.02911	5.3
87.04473	0.7
89.06049	0.9
91.03960	3.6
91.05505	0.9
93.07072	1.6
95.08623	1.8
97.02896	4.3
97.10170	0.4
99.04480	0.9
101.02398	2.1
107.08643	0.9
109.02895	0.5
109.10197	0.6
111.42076	0.4
121.10141	0.6
127.03945	1.2
135.11676	1.0
145.04974	0.7
163.14560	0.5
175.13243	0.4
185.04269	1.1
189.38011	0.4
226.96884	0.5
243.08511	1.5
311.25925	1.1
313.27368	0.6
337.27328	0.5
347.09671	2.3
351.22421	0.5
351.68338	0.5
365.10703	0.7
405.13660	4.7
495.29214	3.1
519.29620	4.3
638.75775	0.6
657.34686	3.6
681.34473	5.8
773.51880	0.9
935.57031	100.0
936.57324	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	936.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.6
67.05506	61.9
69.03417	3.8
69.07068	13.6
71.04990	3.8
73.02911	2.2
79.05492	46.0
81.03418	77.0
81.07055	60.7
83.04986	5.8
83.08149	1.7
83.08620	21.4
85.02891	8.3
85.06532	2.2
91.03955	5.9
91.05481	34.2
93.07047	44.2
95.04967	30.5
95.08609	40.2
97.02894	7.6
97.06532	4.2
97.10164	7.0
98.20727	2.2
99.08072	1.7
105.04551	1.6
105.07028	29.0
105.07697	2.1
107.04975	6.5
107.08601	26.4
109.06515	4.1
109.10159	21.4
110.96016	1.1
111.04446	2.2
111.08064	5.9
115.05473	1.2
117.07012	8.8
119.04939	2.0
119.08582	21.7
121.06513	5.2
121.09320	1.9
121.10146	21.9
123.04432	2.4
123.08057	4.2
123.11719	8.0
125.09643	5.5
127.03944	1.9
129.07001	8.7
129.89397	1.0
131.08559	19.0
133.06494	4.3
133.10136	16.1
135.08063	1.6
135.11699	13.6
137.09621	2.1
137.13237	2.8
142.07765	1.7
143.08543	3.0
145.04962	1.6
145.10135	10.8
147.08047	3.6
147.11697	13.7
149.09634	6.0
149.13228	6.8
151.11159	2.0
157.10143	10.5
159.11700	8.3
161.09593	1.6
161.13190	5.4
163.06026	4.3
163.11241	3.0
163.14803	2.8
165.12796	2.6
169.10106	1.2
171.11746	3.0
173.13275	6.9
175.11151	7.7
175.14844	3.5
177.12880	1.3
177.16379	1.9
185.13297	2.6
187.14845	4.1
189.11188	3.3
189.12755	1.3
191.10706	1.5
193.12260	22.3
193.22935	1.3
201.16547	1.7
207.13751	1.3
211.13170	2.0
227.12752	7.5
235.13306	3.1
236.02771	1.0
243.21089	7.5
244.21297	1.0
247.17157	1.2
249.14862	3.0
259.13382	2.3
261.22131	20.7
267.15927	90.3
268.16098	2.0
273.14822	2.1
279.23254	1.5
285.21991	1.8
301.14407	1.3
301.25198	6.4
309.16943	4.7
317.24677	3.5
333.24402	1.3
335.25800	100.0
336.26248	3.6
357.27841	1.2
403.24768	1.6
407.32846	1.4
417.31339	1.7
421.25836	4.0
435.27402	2.3
435.32639	3.6
453.33557	8.1
471.34952	5.5
509.36005	2.3
527.37341	76.3
528.37396	3.0
545.38385	69.4
546.38806	1.8
559.39313	1.5
569.38385	10.0
577.41162	1.7
587.38654	1.6
611.39032	1.4
623.39142	2.5
635.39343	4.5
653.40460	3.6
671.41516	2.5
936.45630	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	932.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.6
67.05502	34.6
69.03410	2.5
69.06747	0.5
69.07068	11.2
71.01351	0.6
71.04974	1.6
71.08630	20.6
71.23342	1.1
73.02917	3.6
79.05490	21.1
81.03407	1.0
81.07054	41.2
83.04951	1.1
83.08620	9.3
85.02907	16.0
85.06535	1.7
85.10178	11.7
87.27460	0.6
88.28667	0.6
89.06030	1.3
91.03959	11.6
91.05481	10.8
93.07043	25.9
95.04938	1.6
95.08605	38.2
97.02882	8.0
97.06517	1.6
97.10161	4.2
98.20910	0.6
98.21439	0.7
99.04462	0.9
99.08098	1.1
103.07597	1.3
105.04521	0.9
105.06393	0.8
105.07029	8.0
107.08594	15.1
107.94983	0.6
109.06525	0.6
109.10156	15.6
111.08131	0.7
115.03920	0.8
117.07019	2.3
119.08570	6.7
121.10147	11.2
123.11716	7.4
125.09614	0.8
125.13373	0.6
127.03915	4.3
131.08580	7.1
133.10129	6.7
135.11682	9.0
137.13254	2.7
145.04962	5.4
145.10098	5.0
147.11688	4.3
149.13242	5.7
151.14812	1.2
159.11696	4.7
161.13252	4.2
163.06018	6.5
163.14819	4.0
173.13268	4.8
175.14838	1.3
177.16354	1.2
187.14827	1.9
201.16373	1.1
233.22704	0.9
239.23697	3.5
243.21059	7.0
243.23058	0.7
257.24753	1.6
261.22128	38.5
262.22427	1.2
279.23215	1.1
313.27362	100.0
314.27768	1.8
315.59741	0.7
317.24722	5.8
335.25797	75.7
336.26215	2.3
409.97797	0.6
494.66779	0.6
499.45181	1.4
573.48767	38.8
574.48969	2.1
591.49890	6.8
597.50879	0.6
702.06726	0.6
807.21545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.0
67.05508	50.5
69.03427	2.6
69.07072	29.4
69.07467	1.3
69.19184	4.6
69.19611	5.3
71.04992	1.8
71.08618	4.5
73.02914	4.0
79.05494	28.9
81.03426	2.0
81.07059	51.6
83.05003	1.9
83.08151	1.4
83.08624	18.9
85.02906	18.2
85.06545	2.1
85.10175	1.3
87.04449	1.3
91.03960	12.6
91.05483	12.5
93.07046	35.4
93.07639	1.7
95.04989	2.0
95.08609	47.4
97.02892	9.8
97.06535	3.6
97.10164	9.5
99.08093	1.9
103.03985	1.0
105.07038	11.2
107.08596	23.0
109.10154	15.9
111.08087	2.6
111.11742	2.6
117.07037	4.1
117.78009	0.9
119.08599	7.9
121.10147	24.5
123.11694	8.6
125.09650	1.3
127.03908	5.4
131.08583	7.5
133.10146	7.8
135.11688	19.4
137.13257	4.1
139.11273	1.2
145.04951	5.1
145.10144	6.5
147.11691	5.5
149.09526	1.0
149.13272	11.2
151.14812	1.5
159.11667	5.8
161.13213	4.5
163.06030	7.4
163.14822	5.6
173.13251	4.7
175.14865	1.5
177.16408	1.5
187.14827	2.6
219.21088	2.8
223.17036	0.9
233.22722	1.2
237.22090	4.5
243.21109	8.8
244.57765	0.9
261.22137	34.0
309.24176	1.9
311.25812	100.0
312.26248	2.1
317.24747	6.2
335.25809	87.8
336.26181	2.9
337.27417	3.1
468.05283	0.9
515.44586	1.3
571.47241	42.9
572.47278	2.4
589.48175	18.0
590.48260	2.1
708.31671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.7
69.03435	3.4
69.07070	1.1
70.06589	1.1
72.40002	0.3
73.02908	3.0
79.05482	4.0
81.03439	1.6
81.07044	4.9
82.03722	0.4
83.04974	0.7
83.08641	0.8
85.02904	5.9
86.09688	0.5
91.03954	3.2
91.05476	2.6
93.07037	4.2
93.07459	0.4
95.04991	1.1
95.08615	2.7
97.02888	5.3
97.06563	0.6
97.10171	0.4
99.04467	0.8
101.02401	1.7
105.07028	1.9
105.94465	0.4
107.04945	0.4
107.08624	1.7
109.02901	1.0
109.06541	0.5
109.10172	1.6
112.07595	0.3
116.07135	0.6
117.07008	0.7
119.08607	1.5
121.10175	1.1
123.04439	0.6
123.11722	0.5
127.03965	1.3
131.08603	0.9
133.10159	1.8
135.11714	1.2
145.05003	0.5
145.10181	0.8
149.13269	0.6
151.11168	0.5
159.11742	0.6
161.09662	0.6
172.00558	0.4
179.10771	0.5
184.07356	0.8
185.04280	0.7
186.64400	0.4
203.05452	0.7
205.43390	0.4
211.11328	0.4
229.00214	0.4
243.08302	1.9
251.12712	0.5
257.12347	0.5
264.10690	0.4
265.09070	0.5
283.10434	0.6
301.11383	0.8
321.13242	0.5
327.47092	0.4
335.25922	1.5
336.26324	0.7
347.09552	1.1
367.13788	1.8
405.13889	1.5
409.14627	0.5
421.25211	0.5
427.15665	4.4
453.21268	0.7
469.20297	0.5
483.18179	3.4
519.29401	4.5
545.38635	0.7
546.38708	0.5
585.22260	0.4
592.72186	0.5
645.23126	5.3
664.41278	0.5
681.34875	0.9
693.95959	0.5
761.40436	1.0
910.38379	0.4
923.46033	100.0
924.46405	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	926.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.3
67.05503	46.2
67.71990	0.6
69.03413	2.3
69.07069	6.2
69.58401	4.5
70.54890	0.6
71.04980	2.0
71.08628	19.1
73.02907	2.2
79.05488	7.7
81.03420	8.2
81.06594	1.0
81.07053	18.0
83.04976	1.7
83.08613	10.3
85.02905	11.3
85.06525	1.9
85.10178	10.5
87.04439	1.5
89.06029	1.4
91.03967	3.8
91.05481	7.4
93.07029	7.5
94.89172	0.6
95.04951	4.4
95.08607	17.8
97.02895	5.1
97.06533	1.6
97.10178	3.6
98.21553	0.9
99.04420	1.4
103.07574	0.8
105.07012	2.7
107.04951	6.3
107.08578	3.2
109.06493	3.5
109.10152	45.7
111.04443	1.2
111.08054	2.3
111.11701	1.4
115.05495	0.6
117.07040	3.6
118.31499	0.6
119.08585	4.0
121.06524	4.2
121.10121	2.2
123.04395	1.3
123.08004	0.8
123.11675	2.5
125.09587	0.8
127.03921	1.3
131.08536	3.3
133.10098	2.0
135.11729	1.0
137.09593	3.1
137.13243	1.1
139.11206	0.7
141.06992	1.4
143.08542	1.1
145.04909	1.5
145.10139	2.1
149.09622	0.9
149.13266	0.9
155.10626	3.9
159.11647	3.9
161.09651	1.0
163.05962	1.5
169.10083	1.9
173.11722	12.0
177.12758	0.7
179.10649	0.7
187.11147	2.7
187.22409	0.8
205.12303	3.3
223.13264	9.1
229.14340	86.0
230.14650	1.1
237.14929	1.7
239.23654	1.0
248.13837	0.8
254.20341	0.7
257.24579	1.9
279.15936	5.5
297.16968	34.5
299.74612	0.7
313.27347	100.0
314.27594	3.4
467.37335	60.0
468.37494	1.9
486.66003	0.7
508.76648	0.8
517.38824	2.8
535.39929	24.1
553.40796	3.0
667.75269	0.8
926.52295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03965	0.5
65.18748	0.4
65.61471	0.4
67.05507	4.5
69.03433	2.9
69.07074	0.9
70.06593	2.1
71.01385	0.5
71.04995	0.8
73.02917	3.9
79.05486	3.2
81.03411	2.2
81.07067	4.5
83.04988	0.4
83.08636	0.7
85.02901	6.1
85.03375	0.5
87.04480	1.0
91.03954	3.6
91.05479	2.2
92.05830	0.4
93.07037	3.3
93.07454	0.3
95.04956	1.0
95.08605	3.0
97.02896	5.2
97.10165	0.4
99.04481	1.1
101.02399	1.7
105.07021	2.0
107.08649	1.8
109.02903	1.0
109.10188	1.4
111.31139	0.4
116.07125	1.2
117.07072	0.7
119.08613	1.1
121.10148	1.4
123.11784	0.5
127.03956	1.2
131.08600	0.8
133.10156	1.5
135.11751	1.1
140.97743	0.4
142.16121	0.4
145.10236	0.5
149.09641	0.5
151.05916	0.4
159.11703	0.7
161.09680	0.4
184.07477	0.6
185.04202	0.9
189.09079	0.5
203.05342	0.6
243.08615	1.2
283.10327	1.0
301.11554	0.9
335.25961	1.3
347.09686	1.7
365.10773	1.1
405.13654	2.8
427.15833	0.7
443.13943	0.5
483.18326	3.6
519.29352	4.4
520.29474	0.5
546.38452	0.8
565.35767	0.5
645.23016	3.2
681.34631	4.3
686.95441	0.5
761.39746	2.1
899.29279	0.5
923.46088	100.0
924.46191	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	921.375
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	0.5
70.06548	1.0
70.74536	0.5
79.05457	0.5
81.07027	0.5
83.08569	0.2
85.46769	0.2
86.09650	0.7
91.05427	0.5
93.07021	0.6
95.08540	0.4
105.06996	0.5
109.10131	0.2
109.21133	0.2
120.08049	0.5
131.08505	0.3
133.10120	0.4
184.07298	0.4
185.28262	0.2
250.33575	0.2
259.20636	0.3
316.28601	0.3
347.00534	0.2
468.10483	1.4
469.11237	0.9
470.12073	0.3
471.12756	0.8
482.11795	1.5
483.12671	5.8
484.13397	1.0
485.14200	0.5
496.14001	0.5
497.14264	15.1
498.15048	31.2
499.15579	1.1
528.11774	0.3
539.14978	0.3
543.14594	1.0
543.36896	0.4
544.36176	0.3
556.16766	0.4
557.16357	47.0
558.16632	1.7
615.18298	0.6
616.17694	100.0
617.17987	4.4
634.18188	0.3
657.20166	1.9
921.44470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	4.1
67.05507	67.7
69.03419	3.9
69.07069	18.7
70.06329	1.2
70.06595	12.7
71.04973	5.1
71.50491	2.5
73.02914	3.5
79.05495	56.5
81.03419	94.1
81.07057	70.7
83.04965	6.6
83.08620	26.7
83.25047	1.3
85.02908	13.1
85.06532	2.5
86.09675	3.6
89.05968	1.4
91.03959	8.7
91.05480	41.9
93.07042	55.3
94.07341	1.8
95.04976	31.7
95.08610	49.2
97.02901	9.1
97.06506	4.8
97.10147	7.8
99.08134	1.5
100.54816	1.6
105.04488	1.6
105.07029	36.2
106.43487	1.5
107.04956	7.4
107.07895	1.9
107.08598	30.3
109.06509	5.3
109.09454	2.6
109.10148	24.1
111.08081	7.9
115.05444	2.6
116.07077	8.0
117.07018	11.1
119.06206	1.3
119.07813	2.2
119.08600	33.3
121.06497	5.7
121.10140	26.6
123.04445	3.4
123.08041	4.0
123.11695	8.3
125.09639	6.2
127.03889	5.2
129.05522	2.3
129.06990	13.6
131.08569	24.9
132.05640	1.6
133.06477	3.5
133.10141	16.2
135.07999	2.7
135.11705	17.2
137.09616	3.1
137.13278	1.9
142.07809	2.3
143.08542	4.4
145.04953	3.2
145.10115	13.9
147.04332	2.0
147.07997	5.1
147.11687	16.7
149.09595	5.3
149.13257	9.2
155.08514	1.8
157.10106	12.9
159.11691	10.3
161.09644	1.4
161.13260	6.8
163.06020	5.8
163.11159	4.5
163.14841	5.0
165.12752	3.6
171.11682	3.3
171.68962	1.5
173.13223	6.1
175.11165	7.3
175.14798	3.2
177.16292	1.9
183.11804	1.6
184.07327	2.4
185.13275	2.8
187.14763	4.4
189.11197	3.0
193.12248	24.5
209.13245	2.8
223.17102	2.0
227.12766	6.8
235.13339	2.6
243.21082	5.8
249.14664	1.8
259.20581	1.8
261.22183	22.1
267.15924	94.9
268.16174	2.3
285.17209	1.5
301.14398	1.8
301.25137	6.4
309.16962	4.3
317.24893	2.5
319.15323	1.8
335.25790	100.0
336.26312	3.3
421.25891	3.5
435.27234	2.5
435.32629	5.2
453.33444	6.7
465.20926	2.4
466.21429	2.3
471.34216	4.8
509.36060	4.1
527.37323	73.0
528.37573	3.7
545.38348	74.0
546.38422	2.8
563.39111	5.0
569.38440	11.2
587.38965	2.6
600.26074	1.6
605.49957	1.8
616.66583	1.6
623.39014	2.7
635.39301	3.4
653.39917	5.0
922.48199	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
67.05505	52.7
68.25137	0.6
69.03419	2.3
69.07069	10.8
71.04993	17.5
73.02908	2.8
74.80815	0.7
79.05492	31.0
80.05804	1.0
81.03408	2.7
81.07056	85.1
82.07375	1.2
83.04982	4.3
83.08621	8.2
85.02901	10.9
85.06537	6.7
91.03946	6.4
91.05482	26.3
92.05847	1.0
93.07045	39.2
94.07384	1.1
95.04980	3.3
95.08604	27.0
96.04483	1.0
97.02882	4.9
97.06554	5.3
97.10167	1.7
99.04458	1.1
99.08096	2.0
105.04512	1.4
105.07030	14.8
107.08594	21.3
108.08934	0.9
109.06506	2.0
109.10157	10.6
111.08086	2.3
117.07001	5.4
119.08585	8.8
121.10148	16.3
123.08099	1.5
123.11706	13.0
124.14973	0.6
125.09604	0.8
127.03948	2.0
129.07033	1.3
131.08562	9.8
133.10132	19.9
135.08063	0.9
135.11703	9.9
139.11142	0.9
143.08604	1.7
144.06538	0.8
145.04976	2.5
145.10147	4.5
147.11671	5.4
149.09618	1.1
149.13251	7.2
151.11208	6.2
153.12816	1.3
156.23946	0.6
157.10132	1.9
159.11711	6.5
161.13310	4.3
163.06020	2.1
163.11166	0.8
163.14868	1.7
169.12212	1.4
171.11653	1.3
173.04379	1.1
173.13223	3.3
175.14905	1.7
177.12784	2.3
183.13838	3.1
184.07356	2.3
185.13345	1.3
187.13297	2.8
187.14874	1.9
188.22264	0.8
195.13815	2.5
197.13332	0.7
201.14809	0.7
208.77330	0.7
227.16481	2.6
228.74083	0.8
241.17982	0.7
243.21141	1.1
257.17581	2.0
261.22223	3.2
269.17453	5.5
273.21805	0.9
301.20081	19.6
335.25793	18.5
336.26199	1.4
361.27185	0.8
393.31543	1.0
411.32477	1.5
419.32773	1.0
429.33847	0.9
437.34274	1.9
445.24503	1.2
485.36044	4.6
503.37317	79.4
504.37503	4.1
511.37805	2.6
517.38849	3.0
527.37000	0.9
528.37659	1.0
529.38867	29.6
530.39166	1.7
543.40924	0.9
547.39496	2.6
561.41516	100.0
562.41974	5.3
705.45972	0.9
732.91254	0.8
920.51459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.1
67.05506	46.5
69.03427	1.8
69.07071	7.6
71.04996	13.8
73.02913	2.3
73.06565	0.8
77.03947	0.8
79.05494	29.4
81.03432	1.4
81.07057	72.1
82.07390	0.7
83.04987	3.3
83.08620	6.4
85.02907	7.4
85.06546	5.3
87.04441	0.5
91.03956	4.0
91.05480	21.8
92.05811	0.6
93.07045	29.6
95.04977	2.5
95.08611	23.1
96.04526	0.6
97.02888	3.7
97.06541	3.6
97.10170	1.3
99.04475	0.8
99.08096	0.8
105.04518	0.5
105.07033	12.2
106.96920	0.6
107.08596	15.4
109.02920	0.6
109.06517	1.7
109.10156	9.6
109.10854	0.9
111.08083	1.7
117.07037	4.0
119.08578	6.2
120.81309	0.4
121.10147	13.3
121.11033	0.6
123.08070	0.8
123.11703	10.3
125.09628	0.7
127.03949	1.5
131.08556	5.4
133.10136	14.5
133.11102	1.0
135.11696	7.2
137.09663	0.6
137.13229	0.6
139.11269	0.5
143.08548	0.6
145.04964	1.7
145.10098	3.8
147.11670	3.5
149.13261	4.4
151.11206	5.2
157.10149	1.4
159.11703	5.3
161.13258	2.3
163.06068	2.1
163.14804	0.6
169.12263	1.2
171.11755	0.6
173.13246	2.7
175.14816	1.2
177.12801	1.6
183.13850	1.7
184.07370	1.4
187.13338	2.8
187.14845	0.9
189.04465	0.5
195.13803	0.8
201.14822	0.7
211.14925	0.6
227.16483	1.3
256.54272	0.5
257.17480	0.7
261.22168	2.0
269.17508	4.7
283.19061	0.7
289.66348	0.5
301.20120	11.1
314.02032	0.5
317.24792	0.5
335.25797	22.4
336.26157	0.9
343.26437	0.5
411.32654	0.9
437.33990	0.9
482.61276	0.5
485.36255	2.9
503.37332	68.2
504.37860	3.4
511.37955	1.3
517.38904	2.8
529.38898	14.2
530.39386	1.2
547.40454	1.0
561.41510	100.0
562.41711	5.9
607.43903	0.5
705.45538	1.6
774.04333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99092	2.2
65.03932	4.8
67.05507	64.5
68.05842	2.8
69.03416	2.6
69.07065	17.9
70.06587	17.5
71.04986	5.2
71.49989	3.0
72.08141	3.9
73.02924	4.0
73.73985	1.9
79.05495	54.9
80.05802	2.7
81.03416	8.1
81.07059	62.2
82.07404	2.2
82.36934	1.9
83.04984	24.4
83.08624	9.4
85.02903	15.2
85.06532	3.1
86.09695	11.9
91.03965	6.6
91.05478	30.0
92.05798	3.3
93.07047	61.8
94.07339	3.2
95.04967	10.1
95.08606	43.8
97.02885	9.4
97.06532	9.8
97.10172	3.9
99.04439	3.6
105.07020	20.9
107.04951	5.7
107.08595	29.6
109.02860	3.9
109.06557	2.7
109.10153	26.6
111.04440	43.7
111.08080	11.7
116.07092	7.7
117.07022	13.6
119.08585	18.3
120.08068	2.8
121.06550	5.3
121.10134	30.6
123.04475	2.1
123.08083	3.7
123.11699	4.0
125.05984	3.8
125.09632	2.5
127.03921	3.1
129.07024	4.5
131.08559	18.3
133.10141	15.9
135.08064	4.3
135.11690	32.6
136.07585	4.3
137.09663	2.6
137.13229	3.3
139.11134	2.7
141.10150	2.4
142.77675	1.9
143.08574	3.6
145.10143	19.5
147.08078	2.7
147.11682	10.1
149.09601	7.5
149.13248	7.3
153.12759	19.6
155.08485	3.5
159.09206	2.6
159.11703	9.0
161.09586	3.2
161.13277	4.8
163.05965	2.9
163.11191	38.0
163.14830	2.8
169.09796	4.5
171.11679	3.9
173.09627	7.1
173.13274	5.2
181.12221	35.0
184.07367	5.8
185.13219	3.8
191.10677	21.7
209.11732	20.1
227.12793	31.5
245.13722	3.1
248.13600	2.4
261.22162	19.0
277.59503	2.2
281.68369	2.2
283.15396	76.4
299.14890	4.0
301.16483	51.3
335.25818	82.1
336.26193	8.2
337.26471	4.1
444.19672	3.0
451.31854	4.0
469.33270	4.9
525.35559	6.7
543.36853	43.9
561.37866	100.0
562.37738	4.2
687.40021	3.8
705.40601	6.2
758.51190	3.2
920.46332	2.5
921.43683	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	919.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.4
69.03423	2.5
69.07074	1.0
71.01364	0.6
71.05001	0.7
71.08640	1.3
73.02924	3.0
79.05502	1.1
81.03411	2.7
81.07066	1.9
83.08624	1.0
84.16476	0.3
85.02895	4.3
85.03288	0.3
85.10202	0.6
87.04465	0.6
89.11075	0.3
91.03963	2.6
91.05490	1.2
93.07061	1.4
95.04969	0.6
95.08627	1.0
97.02895	4.1
99.04456	0.8
99.99289	0.3
101.02413	1.3
103.03978	0.5
105.07072	1.0
107.08616	0.7
109.10178	0.6
115.03946	0.6
119.01991	0.4
119.08614	0.7
121.10181	0.8
127.03969	1.2
129.07031	0.5
131.08556	0.5
133.10181	0.5
147.11749	0.4
149.09703	0.7
157.10188	0.6
175.11156	0.6
185.04285	0.6
193.12262	0.9
203.05342	0.6
214.44803	0.3
243.08438	1.9
244.14673	0.3
267.16183	0.5
283.15237	1.7
313.27469	0.7
339.17899	0.5
347.09497	2.8
365.10843	1.3
405.13623	4.9
469.20605	0.4
497.30847	4.6
501.23135	8.9
659.36261	4.2
663.28333	6.9
757.47467	2.0
919.52362	100.0
920.52716	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	918.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.3
67.05505	46.6
67.54735	0.4
69.03421	3.8
69.07068	9.5
69.19736	1.6
69.20161	2.5
70.06579	1.0
71.01334	0.9
71.04973	1.7
71.08643	0.6
73.02908	3.2
74.84190	0.6
77.03914	0.7
79.05492	32.0
81.03423	5.5
81.07056	49.7
82.07393	0.5
83.01349	0.7
83.04973	3.5
83.08616	12.2
85.02905	11.8
85.06559	2.1
86.09678	1.6
87.04465	0.5
91.03960	6.2
91.04498	0.6
91.05481	31.9
93.07043	45.5
94.07338	0.5
95.01345	1.3
95.04456	0.6
95.04978	5.8
95.08607	35.0
96.04469	0.5
96.77763	0.4
97.02885	9.3
97.06523	4.3
97.10164	2.9
97.83786	0.5
98.20792	0.8
99.00817	15.2
99.01463	0.9
99.04417	1.1
99.08067	1.3
101.02341	0.8
103.05447	1.6
105.03419	0.5
105.04527	0.9
105.07030	23.7
107.04966	4.2
107.08595	25.1
109.02881	9.9
109.06535	3.0
109.10154	17.0
109.10802	0.3
109.10916	0.6
111.04440	1.2
111.08080	5.1
115.03934	2.2
115.05421	0.8
117.07014	8.2
119.04980	0.6
119.08581	16.8
121.02842	0.9
121.06494	7.0
121.10145	15.5
123.04433	1.5
123.08054	1.6
123.11701	6.2
125.02406	0.5
125.09583	1.6
127.03940	3.9
128.06197	2.0
129.07004	2.8
131.08565	10.6
133.06464	1.6
133.10129	35.7
135.04378	0.7
135.08015	1.5
135.11697	10.4
137.05942	1.4
137.09578	1.8
137.13222	1.7
139.07533	3.4
141.05383	0.5
141.06906	0.5
143.07693	0.4
143.08585	5.5
145.04962	3.1
145.06435	1.3
145.09053	0.6
145.10120	7.5
147.04446	0.6
147.08020	1.9
147.11687	5.6
149.09619	0.7
149.13257	6.0
151.03876	1.4
151.11180	9.4
153.06960	1.1
155.08618	0.5
157.10115	1.9
159.08043	0.7
159.11705	5.5
161.05989	0.8
161.08308	0.9
161.09613	14.3
161.13220	4.1
163.06026	2.9
163.07231	0.5
163.11168	2.0
163.14819	3.3
165.09128	1.0
165.12666	0.5
168.37865	0.5
169.10043	1.5
171.08070	3.3
171.11671	1.8
173.13249	5.1
175.11116	0.9
175.14828	1.6
177.12804	0.6
177.16315	1.2
179.10663	8.0
181.10089	0.9
183.11707	1.0
184.07343	2.1
185.13216	1.0
187.11244	0.5
187.14771	2.4
189.09126	7.4
189.10985	0.7
191.14345	0.5
193.12202	0.8
197.11728	2.7
197.13300	0.7
198.13850	0.5
199.14912	0.7
201.16408	0.8
205.12088	0.8
207.10138	2.9
207.13765	0.6
215.17857	0.6
225.09175	0.4
225.11188	12.6
227.12787	1.4
227.17906	0.5
233.22522	0.9
241.19490	1.0
243.12245	2.6
243.21114	5.6
259.20596	1.8
261.22141	22.3
262.22415	0.9
267.15921	1.2
277.21707	1.3
279.23196	0.6
281.13867	4.3
287.23593	0.9
291.23196	0.8
299.14886	86.5
300.15222	1.8
315.23141	3.1
317.24728	3.8
333.24179	1.1
335.25793	100.0
336.26019	3.0
351.14178	3.0
421.30823	1.4
425.17963	2.1
439.31799	0.7
443.18958	2.3
449.30389	1.8
457.32849	0.9
467.31625	5.1
485.32825	4.1
491.45081	0.5
495.34384	0.6
513.35901	3.6
515.37158	2.4
523.34027	0.7
527.37384	3.0
531.36816	3.7
541.35291	13.0
542.35706	0.6
545.38330	1.7
549.37439	0.5
559.36292	54.7
560.36621	2.8
565.35010	0.5
577.37109	2.8
611.35590	1.3
629.35962	0.6
667.38422	0.7
685.39447	4.1
703.40381	6.9
721.41486	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	918.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.3
67.05506	51.3
68.05837	1.0
68.94995	0.9
69.03445	4.2
69.07073	13.1
70.06573	0.9
70.07377	0.9
70.89101	1.7
71.01347	2.7
71.04996	1.7
73.02917	4.0
77.03941	0.9
79.05495	31.9
81.03417	7.7
81.07058	56.5
83.01336	1.1
83.04976	4.3
83.08624	15.7
85.02899	10.6
85.06544	2.8
86.09740	1.2
91.03973	6.5
91.04906	1.7
91.05484	33.5
92.05809	0.9
93.07043	46.3
95.01311	4.2
95.04972	9.0
95.08607	36.0
97.02899	10.2
97.06503	4.7
97.10175	5.6
99.00826	11.8
99.08096	1.4
101.02346	1.1
103.05482	2.6
105.04581	1.5
105.07030	22.9
107.04951	8.4
107.08591	23.3
109.02888	9.8
109.06536	2.9
109.09467	1.7
109.10154	18.5
111.04458	2.8
111.08093	3.8
113.09639	0.9
115.03927	2.4
115.05479	2.0
117.07011	8.0
119.04942	2.0
119.08583	18.4
119.09386	1.6
121.02886	1.4
121.06493	8.7
121.10133	16.0
123.04411	4.9
123.08075	2.5
123.11707	7.1
125.02354	1.8
125.09647	2.9
127.03935	5.0
128.06198	1.8
129.06999	4.6
131.04921	1.5
131.08574	12.7
133.06514	2.9
133.10130	34.5
134.10461	1.0
135.04428	3.8
135.08055	3.4
135.11694	12.8
137.06003	2.5
137.09631	2.4
137.13254	1.0
139.07562	2.9
141.06987	1.5
143.08562	6.4
145.04958	2.2
145.06540	2.2
145.10139	8.3
147.04442	4.8
147.08067	2.1
147.11668	6.6
149.06071	1.3
149.09628	1.7
149.13232	6.1
151.03909	3.9
151.11206	6.8
155.08508	1.6
155.10817	1.0
157.06511	1.2
157.10124	4.2
159.08063	2.2
159.11685	7.6
161.06017	1.4
161.09631	14.8
161.11899	0.8
161.13274	4.0
163.03899	2.4
163.06020	3.4
163.07497	1.2
163.11188	2.1
163.14845	3.1
165.05591	0.9
169.04942	1.9
169.10133	2.8
171.08078	3.9
171.11678	2.6
173.05927	1.2
173.09653	1.0
173.11951	0.9
173.13268	4.8
175.03929	3.6
175.11182	2.9
175.14862	2.4
177.05551	1.6
177.12778	1.1
179.03352	1.3
179.10703	9.1
181.10280	1.2
181.95432	0.8
183.11639	1.4
184.07321	2.1
185.09587	1.8
187.11234	2.6
187.14799	2.8
189.09125	7.3
189.10780	0.9
197.09673	2.0
197.11731	2.5
201.16438	1.1
203.03429	1.1
203.10648	1.2
205.04974	1.0
205.12244	1.3
207.10231	4.1
211.13261	1.2
215.10730	1.5
225.11169	11.1
227.10753	1.1
227.12770	2.3
233.11737	1.9
241.12238	1.3
243.10069	1.2
243.12250	2.3
243.21037	7.1
253.12051	1.1
255.10222	1.6
259.13263	1.1
261.11218	1.5
261.22150	20.4
267.15991	1.3
269.11594	1.6
271.13281	1.7
277.21701	1.6
279.12234	1.4
279.23181	1.3
281.13852	3.0
284.66977	0.9
287.12878	4.5
289.14478	2.1
291.23163	1.0
299.14899	94.1
300.15320	3.0
315.12387	3.7
315.23087	4.3
317.24707	3.3
323.14633	1.0
333.13367	6.1
335.25812	100.0
336.26233	4.1
351.14520	6.5
407.16946	6.1
421.30786	1.3
425.18018	8.2
439.32108	1.0
443.18997	8.4
449.30408	1.6
467.31860	5.9
485.32498	4.1
513.35748	4.1
527.37274	2.0
531.36853	4.1
539.32990	1.6
541.35162	12.0
545.38434	2.4
559.36285	35.5
560.36420	2.1
577.37250	3.9
593.34253	2.0
611.34741	0.9
623.38660	1.2
625.37781	1.7
641.39355	0.9
667.38330	13.6
685.39459	24.6
686.39520	1.8
703.40442	29.7
704.40698	1.3
721.40210	1.8
727.34711	1.2
756.48578	1.7
847.44141	2.5
890.73615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.5
67.05505	68.4
68.52303	1.2
69.03444	7.0
69.06734	1.9
69.07072	23.7
69.28225	10.8
70.06584	5.3
71.01346	1.3
71.04988	3.7
72.08134	3.2
73.02927	1.9
79.05492	60.3
81.03430	10.0
81.07055	68.1
83.01335	3.2
83.04981	5.1
83.08624	17.4
84.04507	1.7
85.02885	4.7
85.06512	2.0
86.09709	6.1
86.10172	1.1
91.05480	37.3
92.05816	1.1
93.03403	2.1
93.07040	48.8
95.01321	10.7
95.04970	14.1
95.08608	50.7
96.08916	1.3
97.02888	5.1
97.06518	4.0
97.10171	29.3
99.08089	1.3
103.03917	1.8
103.05433	1.7
105.03394	2.0
105.04504	2.3
105.07036	28.5
106.97047	1.0
107.04949	14.1
107.07867	2.5
107.08591	37.8
109.02880	4.8
109.06502	4.2
109.10153	20.0
111.04453	3.2
111.08073	3.4
113.02368	1.4
115.05437	4.1
117.07013	13.7
118.37273	1.2
119.04935	3.4
119.08584	15.7
120.08096	1.8
121.02844	3.1
121.06523	4.3
121.09328	1.8
121.10144	20.3
123.04415	12.4
123.08070	4.8
123.11699	4.8
125.02322	3.3
125.09627	27.2
128.06215	3.8
129.07030	9.8
130.08684	1.2
131.04936	5.9
131.08563	16.6
132.30527	1.3
133.06482	4.1
133.10132	16.8
135.04419	19.0
135.08017	5.8
135.11685	12.4
136.07562	1.5
137.02342	3.0
137.05956	3.5
137.09584	1.7
139.03909	1.8
141.07001	4.6
141.10252	2.5
142.07806	1.7
143.04868	1.3
143.08548	8.6
143.10695	1.2
145.06491	5.3
145.10114	15.1
147.04402	9.4
147.08055	2.6
147.11708	11.0
149.02319	6.7
149.05971	2.1
149.09615	2.1
149.13237	4.6
151.03902	41.4
153.05444	2.3
153.06944	1.9
153.09081	2.7
154.07664	1.9
155.08521	5.6
156.09291	1.2
157.06467	4.9
157.10091	7.3
159.04425	4.5
159.08011	3.2
159.09178	1.5
159.11693	8.9
161.02321	1.6
161.05974	4.3
161.09595	4.3
161.13301	5.8
163.03917	19.3
163.07549	2.1
163.11171	3.7
163.14780	1.2
165.01807	8.5
165.05472	2.6
165.06961	2.6
165.69466	1.1
166.07828	1.8
167.03403	3.7
167.08575	5.9
169.05006	5.9
169.06310	2.2
169.10004	6.9
171.08069	2.6
171.10204	2.5
171.11694	7.0
173.04492	2.4
173.05960	3.6
173.09613	5.4
173.13350	5.6
175.03903	7.1
175.11165	2.8
175.14760	2.3
177.01862	3.0
177.05464	3.2
178.07809	1.5
179.03421	5.6
179.08585	2.7
181.06525	1.8
181.10124	4.9
183.08083	4.3
183.11694	4.2
185.05931	4.0
185.09610	7.8
185.13216	2.7
187.03920	4.8
187.07448	2.4
187.11168	3.3
187.14777	1.8
189.01820	4.6
189.05504	10.0
189.11263	12.1
189.12804	2.6
191.03432	7.3
191.10681	2.2
193.04904	2.8
193.10104	3.2
195.08005	4.2
195.11665	3.5
197.09650	4.0
197.13269	2.1
199.03906	28.5
199.07523	2.5
199.11183	2.8
199.14867	1.3
201.05515	4.2
201.09114	3.7
201.12743	1.6
203.03369	2.2
203.07014	1.7
203.10626	5.3
205.04939	6.5
205.10162	2.2
207.11664	1.5
209.09622	2.4
209.13277	2.0
211.07603	3.5
211.11131	2.8
211.14807	2.0
213.05441	4.2
213.09010	5.4
215.03494	2.2
215.06999	2.3
215.10640	2.8
217.04909	2.9
221.04385	7.2
221.09480	2.0
221.13210	1.7
223.07628	1.7
223.11182	2.7
225.09097	2.7
225.16467	1.4
227.07068	1.7
227.10696	2.7
227.12823	5.5
229.04880	3.5
229.08682	3.4
229.12189	2.7
231.10097	7.4
233.11571	2.3
239.07274	2.3
239.10646	4.5
239.14317	1.8
241.08615	3.3
241.19449	1.6
243.10204	5.4
243.21097	3.0
245.11694	1.5
247.09735	1.7
249.09122	2.0
251.05469	4.4
253.08519	2.9
255.10164	10.2
257.08023	5.2
257.11746	4.4
259.13284	1.4
259.20578	5.8
261.11234	3.5
261.22067	5.8
267.10150	3.1
269.11649	3.5
271.09671	4.1
273.11285	3.1
275.12717	2.2
283.09741	3.6
285.11200	7.2
285.21973	1.8
289.10675	2.8
295.09555	2.5
301.10623	3.2
303.12247	11.7
313.10577	5.7
315.12357	1.4
319.11526	2.9
321.13354	7.6
331.11700	7.4
333.13251	1.4
333.24203	4.6
335.25797	99.4
336.26089	2.5
349.12881	12.5
359.25235	1.3
363.14450	2.7
363.24969	2.5
367.13943	5.3
375.14493	15.3
375.19113	2.1
387.14496	1.7
393.24008	1.7
395.16736	1.2
403.22467	2.5
405.15417	5.0
421.24115	2.9
423.16467	51.3
424.16766	2.2
425.17868	2.8
433.31094	1.6
439.24762	3.3
441.17517	30.9
491.30630	1.4
507.35513	1.5
509.30835	1.3
525.35883	7.6
526.36456	4.8
527.31274	1.6
527.37860	1.5
561.31982	1.3
563.33911	2.5
565.34906	2.7
573.32343	5.7
581.34607	2.1
591.33508	8.5
595.36664	1.3
609.34418	7.5
617.34283	2.4
619.35974	2.6
623.35791	2.8
627.35040	4.1
629.34906	2.8
635.35706	27.6
637.37256	3.0
639.38690	1.7
647.35907	7.9
653.36292	1.8
655.39276	6.2
655.47980	1.4
665.36926	26.5
673.39777	1.5
683.37878	73.8
684.37726	3.9
701.38922	100.0
702.39209	7.2
719.28284	1.5
719.39862	18.8
720.40125	1.7
754.44720	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	914.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	11.8
69.03387	1.7
69.07062	5.5
69.32002	4.4
71.04967	1.1
71.08630	15.8
73.02902	1.1
73.91189	0.6
75.73554	0.5
75.96928	0.5
79.05489	6.9
81.03414	50.9
81.07055	15.3
83.04937	2.5
83.08617	17.4
85.02886	4.4
85.10181	12.0
89.05977	1.9
91.03956	2.7
91.05481	9.3
93.07039	4.4
95.04968	15.6
95.08602	14.3
97.02888	3.5
97.06475	1.2
97.10183	4.0
99.08044	0.6
99.11667	0.6
103.07549	1.2
105.07021	7.6
107.04957	3.9
107.08572	3.1
109.06491	1.1
109.10156	6.6
111.04406	1.1
111.08080	3.9
115.05423	1.0
117.06967	0.9
119.04896	0.9
119.08594	5.5
121.06520	1.2
121.10128	3.2
123.04358	1.7
123.11719	3.6
125.13216	0.6
127.03903	1.0
129.07011	3.5
131.08548	4.9
133.06422	1.9
133.10092	2.4
137.05959	0.7
137.09567	1.0
137.13248	1.3
142.07738	1.5
145.04897	1.5
145.10060	1.6
147.08055	1.3
147.11690	3.5
149.09615	2.6
157.10129	6.0
163.06003	3.0
163.11189	1.1
165.12775	1.3
175.09781	0.8
175.11191	7.1
191.95079	0.5
193.12230	19.5
194.12556	0.5
200.84282	0.5
205.12381	0.7
211.13307	1.3
215.03204	0.5
235.13161	1.5
239.23698	2.0
245.04631	0.6
249.14864	1.3
257.24661	1.8
259.13245	1.1
267.15903	100.0
268.16266	1.6
273.14786	1.3
301.14209	1.7
309.17068	3.2
313.27350	91.2
314.27655	2.6
319.15250	0.9
322.45255	0.7
393.19122	0.8
463.33041	0.6
492.59711	0.6
505.38873	78.4
506.38950	3.5
523.39948	1.9
547.39844	5.4
589.40527	0.8
601.40625	2.1
613.40692	1.9
631.42133	2.2
649.42853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14011	1.3
64.54256	1.0
65.03933	1.8
67.05502	20.2
68.99805	1.1
69.07059	11.7
71.04980	1.1
71.49390	1.3
79.05492	23.8
81.03412	3.6
81.07061	25.6
83.04977	4.4
83.08620	3.7
84.08110	2.0
91.05485	30.0
93.07043	21.0
95.01332	3.5
95.04983	6.2
95.08610	14.1
97.06533	18.1
97.10178	1.7
105.04543	1.2
105.07033	33.7
107.04949	5.8
107.08601	6.4
107.54030	1.2
109.06478	1.5
109.10147	5.9
114.35131	1.1
115.05478	1.3
117.07021	6.8
119.08577	18.7
119.38301	1.2
121.06506	1.6
121.10147	4.6
123.08051	1.6
123.11765	1.6
125.09582	1.3
129.07030	4.3
130.08633	3.5
131.08556	9.2
133.10127	14.8
135.08083	2.2
135.11670	3.3
136.19455	1.1
137.09612	1.5
143.08563	4.0
145.10136	7.4
147.11699	13.7
149.09669	3.2
149.13306	1.9
151.11125	1.4
159.11713	5.5
161.13266	5.3
163.11143	2.5
171.11688	5.5
177.12749	2.2
179.14302	5.0
184.07367	1.5
187.11111	2.0
189.12686	2.0
207.13791	4.3
257.19073	2.9
259.20770	1.4
275.20074	29.8
279.15866	3.6
281.17462	20.6
293.21149	2.9
349.23715	13.0
537.35522	2.6
555.36816	100.0
556.36853	4.0
573.36981	2.3
637.98950	1.4
914.46222	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	914.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14011	1.3
64.54256	1.0
65.03933	1.8
67.05502	20.2
68.99805	1.1
69.07059	11.7
71.04980	1.1
71.49390	1.3
79.05492	23.8
81.03412	3.6
81.07061	25.6
83.04977	4.4
83.08620	3.7
84.08110	2.0
91.05485	30.0
93.07043	21.0
95.01332	3.5
95.04983	6.2
95.08610	14.1
97.06533	18.1
97.10178	1.7
105.04543	1.2
105.07033	33.7
107.04949	5.8
107.08601	6.4
107.54030	1.2
109.06478	1.5
109.10147	5.9
114.35131	1.1
115.05478	1.3
117.07021	6.8
119.08577	18.7
119.38301	1.2
121.06506	1.6
121.10147	4.6
123.08051	1.6
123.11765	1.6
125.09582	1.3
129.07030	4.3
130.08633	3.5
131.08556	9.2
133.10127	14.8
135.08083	2.2
135.11670	3.3
136.19455	1.1
137.09612	1.5
143.08563	4.0
145.10136	7.4
147.11699	13.7
149.09669	3.2
149.13306	1.9
151.11125	1.4
159.11713	5.5
161.13266	5.3
163.11143	2.5
171.11688	5.5
177.12749	2.2
179.14302	5.0
184.07367	1.5
187.11111	2.0
189.12686	2.0
207.13791	4.3
257.19073	2.9
259.20770	1.4
275.20074	29.8
279.15866	3.6
281.17462	20.6
293.21149	2.9
349.23715	13.0
537.35522	2.6
555.36816	100.0
556.36853	4.0
573.36981	2.3
637.98950	1.4
914.46222	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	913.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48207	0.5
73.65570	0.1
74.02451	0.4
90.26781	0.2
91.05474	0.9
100.76463	0.2
111.04401	0.2
115.05450	1.0
117.05772	0.5
117.06992	1.1
118.06541	18.9
124.09669	0.2
130.06544	1.2
132.08093	5.2
135.04387	0.2
142.06523	2.0
143.07297	2.0
144.04434	0.4
144.08084	12.2
145.06400	0.2
145.08423	0.2
146.06009	62.3
147.06325	1.0
147.07384	0.2
159.09177	6.2
160.07571	0.7
163.03902	0.4
170.06007	4.6
170.07480	0.2
188.07065	100.0
189.07388	2.0
205.09723	42.0
206.10133	0.7
234.98961	0.1
327.66333	0.2
447.32373	0.2
654.93146	0.2
808.28265	0.2
833.74994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.6518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.3
69.07078	2.1
70.21790	1.0
71.08634	72.4
73.02937	1.3
73.06563	3.4
81.07048	2.1
83.08611	3.6
85.10188	70.7
86.09706	2.3
87.04470	22.5
89.06035	100.0
91.05492	1.8
93.07043	1.5
95.04987	1.3
95.08615	1.4
96.86342	1.1
99.11733	7.9
101.06033	1.3
117.09126	9.3
123.15104	1.2
130.08652	3.9
131.07048	7.9
133.08612	70.4
141.16388	8.3
147.11752	1.9
156.65965	1.2
161.11630	1.3
175.09651	4.3
177.11230	27.1
184.07372	3.8
191.12732	1.3
197.99883	1.2
199.20589	14.7
219.12218	2.6
221.13893	6.6
257.24789	7.1
265.16647	2.4
283.17639	2.3
309.19061	1.7
339.28873	1.5
353.21478	1.4
531.40216	1.6
549.41663	2.6
635.38190	4.7
675.42133	1.3
908.64178	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	908.6524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.8
69.03448	1.1
69.07065	2.1
70.06592	2.0
70.67608	2.8
71.08634	77.8
73.02921	1.6
73.06551	2.8
81.07050	2.1
83.08617	3.0
85.10188	70.5
86.09708	2.3
87.04472	23.6
89.06036	100.0
93.07049	1.4
95.04964	0.9
95.08628	1.5
99.11744	7.5
101.09608	0.9
103.07583	1.9
103.58826	1.0
107.07040	1.8
107.08569	1.1
111.11749	1.4
113.06023	1.7
117.09131	8.9
120.44921	1.1
130.08632	2.9
131.07054	8.3
133.08611	74.8
135.10214	1.1
141.16371	7.9
157.19972	1.0
161.11722	1.5
175.09660	5.7
177.11237	28.1
184.07350	2.2
199.20586	14.5
219.12283	1.6
221.13828	5.6
232.14658	1.1
239.14969	1.6
240.23242	1.5
257.24695	5.7
265.16541	2.1
283.17407	1.8
309.19159	1.2
327.20020	1.5
339.28894	1.6
353.21774	1.8
531.40100	1.6
547.32910	1.3
549.40674	1.5
591.36078	1.3
635.38129	3.8
908.64594	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	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	4.6
69.03431	2.9
69.07067	1.0
69.27103	1.0
69.27520	3.1
70.06588	1.0
71.01369	0.5
71.05003	1.2
71.08607	0.5
73.02911	3.2
79.05489	3.6
81.03416	1.3
81.07043	3.9
83.04955	0.8
83.08604	0.9
83.69460	0.4
85.02911	5.4
86.09679	2.2
89.03815	0.4
91.03956	2.9
91.04453	0.5
91.05473	2.4
91.16684	0.4
93.07047	3.9
95.04947	0.6
95.08604	3.4
95.72739	0.4
97.02879	3.9
97.10181	0.4
99.04459	0.8
101.02385	1.0
105.07011	1.0
107.04926	0.7
107.08579	2.9
109.02876	0.5
109.10174	1.4
115.47581	0.5
116.07098	0.7
117.09127	0.4
119.08588	1.6
121.06528	0.7
121.10155	1.5
125.00034	1.6
127.03915	1.2
131.08582	0.9
133.10143	0.8
135.11725	2.5
145.04980	0.6
145.10132	1.7
147.11700	0.6
163.11145	3.0
166.04959	0.4
173.09583	0.4
180.38377	0.5
184.07349	6.6
185.04263	0.8
185.07719	0.5
193.12370	0.5
203.05295	0.6
211.13121	0.5
227.12766	3.3
243.08498	1.9
249.10968	5.7
305.13690	1.6
335.25720	0.9
336.26236	1.1
347.09299	2.0
349.76019	0.4
363.09009	0.5
365.10681	0.8
405.13690	5.4
418.45859	0.5
467.18808	9.7
485.94830	0.4
489.35397	0.6
490.36560	0.8
519.29272	5.0
519.36426	0.6
545.38849	0.6
546.38647	1.3
547.39362	1.2
548.40118	1.3
583.35895	0.6
619.39679	0.5
629.24091	5.5
681.34595	3.6
745.41687	2.3
752.94049	0.5
907.46594	100.0
908.46796	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	907.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	6.4
68.05841	0.6
69.03426	3.8
69.07072	1.0
69.52108	0.3
70.06591	1.0
71.01344	0.6
71.05004	1.0
73.02917	3.7
79.05491	3.5
80.05844	0.5
81.03417	2.3
81.07058	6.0
81.96078	0.4
82.07399	0.8
83.04987	0.8
83.08634	1.2
85.02907	6.2
85.03386	0.5
86.09724	1.2
87.04498	0.5
91.03957	3.4
91.05473	2.5
91.79308	0.4
92.05806	0.4
93.07045	4.4
94.07381	0.4
95.04970	1.2
95.08601	4.0
96.08877	0.4
97.02890	5.4
97.06553	0.4
98.21550	0.9
99.04456	0.8
101.02399	1.5
102.06868	0.4
103.03996	0.3
105.07030	1.7
107.08598	2.7
109.02915	1.0
109.10152	1.7
117.07069	0.7
119.08600	1.2
121.06509	0.5
121.10130	2.0
123.11760	0.7
127.03950	1.4
129.73424	0.3
131.08560	1.2
133.10139	0.7
134.10565	0.4
135.11670	2.0
145.04950	0.6
145.10162	1.1
147.11725	0.4
149.13329	0.9
159.11757	0.6
163.11180	2.1
168.80853	0.3
181.12267	0.4
184.07419	0.4
185.04292	0.9
193.12331	0.5
201.90248	0.3
203.05351	1.0
211.13359	0.4
212.13672	0.4
220.88776	0.3
227.12883	1.3
229.39355	0.4
241.07280	0.4
243.08467	2.0
243.16026	0.4
249.10988	6.8
261.22189	0.8
267.15958	0.6
286.17303	0.4
287.18564	0.7
305.13718	1.3
335.25726	2.0
336.26352	1.1
337.26559	0.4
347.09512	2.1
365.10721	0.6
405.13702	5.8
467.18854	5.3
467.24496	0.5
489.35666	0.4
503.37613	1.1
504.37726	1.6
519.29340	6.2
545.38507	0.5
546.38947	0.9
547.38904	1.6
548.39630	1.9
580.20618	0.4
629.23743	2.9
681.34589	7.1
745.40900	1.7
907.46564	100.0
908.46802	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	906.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	3.3
67.05506	83.3
68.05846	0.5
69.03432	2.9
69.07069	11.3
71.04993	19.2
71.05376	1.2
71.07372	1.2
71.08608	0.6
73.02915	3.5
77.03955	0.7
79.05495	33.8
81.03423	2.8
81.07059	40.0
83.04984	4.8
83.08626	6.3
85.02909	11.2
85.06542	3.8
86.09707	7.5
91.03959	6.0
91.05481	25.2
93.07047	41.4
94.07429	0.6
95.04978	3.2
95.08607	27.9
97.02890	5.9
97.06522	4.0
97.10183	2.6
98.21593	1.0
98.98475	1.0
99.04466	0.9
99.08096	0.7
104.42244	0.5
105.04527	1.0
105.07038	9.7
107.04954	0.6
107.08595	20.8
109.02934	0.9
109.06545	1.3
109.10159	61.7
111.08091	2.5
117.07033	4.8
119.08581	15.2
121.06565	0.6
121.10149	17.9
123.08087	0.9
123.11691	2.6
124.99992	5.7
125.09608	0.9
127.03920	2.9
129.05475	0.6
129.06993	1.3
131.08562	7.2
133.10141	7.5
135.11688	13.6
136.11964	0.6
136.28845	0.6
137.09619	9.4
137.13272	1.0
139.11247	0.8
141.06874	0.7
143.08572	0.6
145.04987	2.1
145.10135	6.9
147.11705	3.8
149.13281	3.0
151.11147	0.6
151.56383	0.5
155.10669	3.3
157.10196	0.9
159.11702	3.9
161.13222	4.1
161.14281	0.5
163.06021	2.7
163.11191	3.8
163.14825	1.1
165.12825	1.0
165.50467	0.5
169.12306	1.5
171.11687	1.3
173.11761	6.2
173.13286	3.2
175.14885	1.4
181.12257	1.7
182.05016	1.9
184.07339	22.0
185.13226	1.0
187.13312	0.8
187.14839	1.5
199.13228	0.6
199.14967	0.7
201.16464	0.7
213.14900	1.5
229.14442	2.1
243.15981	1.8
243.21034	1.0
255.15860	5.6
259.20642	0.7
261.22186	3.5
287.18536	15.0
317.24820	0.9
335.25815	24.5
336.26352	0.5
339.00525	0.6
397.31119	2.0
423.32727	1.0
449.76675	0.6
471.34897	2.8
489.35757	97.3
490.36069	3.0
497.36526	1.0
503.37299	3.1
515.37354	19.5
533.38202	1.6
547.39966	100.0
548.40112	5.4
691.43915	1.8
906.50037	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	905.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19184	0.4
67.05505	2.7
69.03436	3.5
69.07064	0.9
70.86852	0.4
71.01350	0.5
71.04997	0.6
71.50141	0.6
73.02914	2.7
79.05491	2.7
81.03426	2.0
81.07064	2.7
83.04980	0.4
85.02907	5.0
91.03982	3.6
91.05455	2.7
93.07056	3.2
95.04977	0.5
95.08617	2.2
97.02889	4.5
99.04481	0.7
101.02378	1.8
105.07054	2.0
107.08620	1.0
109.02869	0.6
109.10126	0.6
115.04018	0.6
119.08575	0.9
121.10154	0.9
122.06210	0.6
127.03927	1.5
131.08548	0.5
133.10165	1.1
143.08577	0.5
145.10110	0.6
147.11694	1.0
168.37025	0.5
185.04308	0.6
243.08568	1.6
247.13148	1.0
302.54340	0.5
308.18774	0.5
335.26117	0.6
347.09543	1.8
363.08939	0.7
405.13724	4.8
465.20898	6.3
519.29224	3.6
616.62622	0.5
627.26233	5.7
681.34650	2.9
743.43665	1.5
784.84174	0.6
905.48694	100.0
906.49017	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	906.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.6
65.63037	0.5
67.05505	85.4
68.05833	0.7
69.03439	3.2
69.07070	12.3
70.06592	0.7
70.67534	1.1
70.67857	0.7
71.04991	25.3
71.07361	1.4
73.02929	3.9
77.03912	0.6
78.79314	0.6
79.05491	33.5
81.03417	3.2
81.07054	41.5
82.07406	0.8
83.04988	4.7
83.08619	7.5
85.02903	11.9
85.03377	0.9
85.06538	3.4
86.09712	5.9
87.04505	0.7
91.03954	8.4
91.04906	1.2
91.05479	26.1
93.07042	40.7
94.07365	0.7
95.04951	3.4
95.08605	32.8
97.02903	7.1
97.06510	4.1
97.10157	3.3
98.98431	0.8
99.04453	1.7
99.08123	1.5
104.10772	1.2
105.04533	0.7
105.07029	14.5
106.27734	0.6
107.04952	0.8
107.08588	22.2
109.02888	0.9
109.06538	1.7
109.10152	63.4
111.08060	3.4
111.11655	0.9
117.07008	6.0
119.08580	18.7
121.06499	1.2
121.10139	17.6
121.15752	0.6
123.08066	1.6
123.11724	2.9
124.99994	3.8
125.09615	1.1
127.03883	3.1
129.07008	1.1
131.08565	8.6
133.10126	9.6
133.11090	0.8
135.08054	0.9
135.11682	18.4
137.09624	9.1
139.11189	2.7
143.08586	1.5
145.04947	3.2
145.10124	9.6
147.11678	6.6
149.02336	1.6
149.09599	1.0
149.13252	4.3
151.11200	1.0
153.12782	0.8
155.08603	0.7
155.10637	3.6
157.10146	1.4
159.11670	4.0
161.13203	4.3
163.06018	3.2
163.11174	4.0
163.14862	1.4
165.12766	0.8
169.10144	0.8
169.12280	2.5
170.62953	0.6
171.11711	2.3
173.11771	7.8
173.13271	3.9
175.14882	2.0
180.99254	0.6
181.12251	2.3
182.04958	1.3
183.11728	1.2
184.07338	20.1
184.09018	1.0
185.13268	1.5
187.13289	1.5
187.14847	1.8
193.05052	0.8
197.13277	0.7
199.13234	0.7
211.13287	1.0
213.14758	2.9
224.65460	0.6
229.14481	0.9
239.16446	1.3
243.15971	2.6
243.21214	0.6
255.15828	5.4
259.20761	2.0
261.22162	3.1
285.17038	1.8
285.22049	0.9
287.18494	25.0
289.21600	0.7
312.32596	0.7
317.24719	1.4
333.24066	1.1
335.25790	22.8
363.25586	1.1
397.31033	2.0
405.31543	1.6
407.27966	0.9
423.32587	3.5
441.33472	0.9
471.34738	6.2
489.35739	88.4
490.36148	3.3
497.36395	2.9
503.37314	3.5
515.37299	33.7
516.37903	1.8
521.38306	0.8
533.38293	1.1
547.39941	100.0
548.40247	4.8
633.39893	0.9
691.42627	1.0
906.49182	7.6
907.47162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.0
67.05506	51.9
69.03421	3.4
69.07076	11.6
69.14423	13.3
70.06586	1.6
71.01356	2.0
71.04974	2.8
71.08619	1.1
73.02904	3.5
75.97932	1.1
79.05492	48.5
81.03430	8.5
81.07053	54.2
83.04971	6.8
83.08621	6.7
85.02914	9.3
85.06536	2.7
85.94216	1.4
86.09674	1.7
91.03962	6.4
91.04903	2.2
91.05479	45.8
93.07044	53.0
93.07635	2.5
94.07383	1.3
95.04964	6.6
95.08609	32.9
97.02866	5.0
97.06517	5.1
97.10179	3.9
103.03918	2.8
105.04521	1.4
105.06323	2.2
105.07029	36.4
107.04949	2.8
107.08587	25.1
109.02831	1.8
109.06502	4.2
109.10142	16.1
111.08087	2.5
115.05440	2.6
116.06231	1.1
117.07010	9.8
119.08580	32.0
121.06510	2.1
121.10145	42.3
123.04412	1.4
123.08097	1.9
123.11709	7.0
125.09608	1.4
127.03937	1.6
128.06149	1.9
129.05510	2.4
129.06995	12.0
129.80136	1.2
131.08556	32.2
131.51506	1.1
133.10132	33.6
135.08052	2.3
135.11690	11.1
135.93166	1.5
137.09596	1.2
137.13213	1.5
142.07735	2.3
143.08553	4.1
145.10129	9.8
147.08025	3.0
147.11687	36.2
149.09625	33.2
149.12224	1.3
149.13182	6.6
151.11143	1.9
155.08542	2.3
157.10139	21.5
157.11349	2.4
159.11665	8.9
161.13278	5.7
163.06052	1.3
163.11205	7.5
165.12701	7.5
167.10635	1.7
169.10146	2.3
171.11676	3.4
173.04428	6.4
173.09618	2.2
173.13234	5.9
175.06017	3.0
175.11195	17.9
175.14766	1.9
177.12770	3.8
181.10069	1.3
183.11710	3.2
184.07346	4.1
185.07661	1.3
185.09656	1.3
185.13235	2.7
187.14861	3.1
189.16428	1.4
191.10709	1.4
193.12222	9.1
195.11873	1.8
195.13669	1.6
199.14861	1.8
211.13255	3.6
223.13210	2.1
239.16501	1.5
241.19559	1.7
243.21051	2.4
259.20541	2.7
261.22211	6.2
265.14398	1.3
267.15912	37.1
269.17477	3.2
285.16919	10.0
287.23471	1.8
289.21558	2.8
319.22250	1.2
333.24210	2.8
335.25800	51.3
336.26117	2.0
363.25339	3.8
381.26349	1.7
411.20248	2.4
417.31482	3.5
429.71350	1.3
435.32663	8.4
453.33673	3.0
466.47308	1.3
501.35330	2.0
509.36227	5.9
527.37317	67.8
528.37598	3.4
545.38354	100.0
546.38898	4.0
563.39514	7.1
589.35034	1.4
671.40765	3.4
689.42181	3.3
904.47516	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	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.1
66.35116	0.4
67.05506	44.3
69.03425	1.8
69.07070	15.7
70.95011	1.0
71.04993	3.2
71.08646	0.6
73.02925	2.4
77.03921	0.7
79.05495	31.7
81.03416	3.3
81.07056	78.4
82.07375	0.7
83.04980	5.1
83.08614	7.9
85.02899	9.5
85.06554	4.1
86.09706	1.4
87.04446	0.9
91.03967	5.3
91.04899	1.1
91.05481	25.7
93.07046	34.9
95.04982	4.3
95.08608	37.4
96.04456	0.6
96.08900	0.5
97.02889	5.9
97.06527	6.5
97.10176	1.9
99.04453	1.0
99.08118	2.4
99.42374	0.5
101.06033	1.1
105.04525	0.7
105.07034	28.5
107.08596	20.6
109.02866	0.6
109.06522	4.8
109.10162	12.3
111.08071	1.7
113.06001	0.7
115.03934	0.8
117.06986	3.6
118.97633	0.7
119.08585	23.7
121.10146	25.0
123.08059	3.7
123.11705	21.1
125.09618	1.3
127.03916	2.0
127.07532	1.4
129.07004	1.5
131.08586	7.1
133.10123	7.6
135.11707	9.1
137.09592	1.2
137.13295	2.7
141.09151	0.7
145.04958	1.5
145.10144	4.5
147.11690	43.7
149.09651	0.8
149.13231	4.0
153.08064	0.5
157.10144	2.4
159.11691	3.4
161.13248	3.2
163.06039	1.9
163.14848	2.3
165.12764	16.1
173.13281	3.0
175.11208	2.0
175.14833	1.5
183.13814	1.6
184.07312	2.8
187.14790	1.2
193.12282	2.1
201.16409	1.0
211.13303	1.6
229.14340	4.4
243.21054	4.4
261.22128	17.1
267.15918	54.1
268.16211	1.1
273.64627	0.5
279.23199	2.6
285.16971	56.8
286.17297	0.6
299.23428	0.5
317.24725	3.4
335.25806	100.0
336.26086	3.2
347.09290	0.6
353.26993	1.4
453.33850	0.9
471.35004	1.1
483.17065	0.7
490.99500	0.5
527.37482	5.3
545.38379	65.1
546.38733	2.9
563.39203	3.1
904.48206	0.7
905.49762	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	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.3
67.05508	50.3
67.11481	0.7
69.03411	3.0
69.07069	16.5
70.89364	1.8
71.04984	2.9
71.08633	1.4
72.62400	0.9
72.74193	0.8
73.02911	3.3
75.81934	0.8
79.05495	35.1
81.03427	3.9
81.07059	93.1
82.07381	1.1
83.04993	5.7
83.08622	8.6
85.02901	11.7
85.06540	5.0
87.04454	1.0
91.03948	6.4
91.05483	31.2
93.07047	32.4
93.07644	1.6
95.04958	3.6
95.08610	41.3
97.02895	5.3
97.06536	7.9
97.10167	2.0
97.75932	0.8
99.04450	1.1
99.08083	3.8
105.04575	1.2
105.07034	42.6
106.07340	1.1
107.08600	21.8
109.06532	5.8
109.10162	15.1
111.08083	2.4
117.07040	3.2
119.08587	30.5
121.10154	28.2
121.11042	1.2
121.55811	0.7
123.08111	4.7
123.11707	30.9
127.03888	3.1
127.07549	2.0
129.07001	1.4
131.08554	8.5
131.94524	0.9
133.10126	9.7
135.11702	11.2
137.09589	1.6
137.13232	3.7
141.09061	1.0
142.07800	0.9
145.04967	3.6
145.10106	7.3
147.11691	62.0
149.09538	1.2
149.13297	5.2
157.10132	1.9
159.11685	4.0
161.13246	2.2
163.06007	4.0
163.14856	3.6
165.12762	23.4
165.14157	1.4
173.13248	3.6
175.11124	2.8
175.14853	2.2
179.14296	0.9
183.11867	0.7
183.13797	3.4
187.14792	1.9
189.16284	0.9
193.12190	3.5
198.36624	0.9
211.13261	1.0
229.14384	5.7
243.21111	6.6
261.22144	22.2
267.15924	75.1
268.16367	0.9
279.23160	3.5
285.16971	100.0
286.17303	1.6
317.24683	3.1
335.25793	87.4
336.26129	2.3
353.26978	4.0
453.33560	1.5
471.34576	2.3
527.37384	10.8
537.84497	0.9
545.38403	74.9
546.38684	3.5
562.40393	1.0
563.39435	5.0
805.86829	1.0
904.47638	2.5
905.49469	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	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.2
67.05505	25.3
69.03445	2.8
69.07067	6.9
71.04984	2.2
73.02927	1.5
73.74057	0.6
74.73520	0.5
79.05498	23.1
81.02937	0.8
81.03420	28.8
81.07058	30.3
82.07388	0.7
83.04979	5.9
83.08623	12.6
85.02907	13.1
85.06536	1.8
85.94453	0.6
91.03975	2.9
91.05485	20.7
93.07042	24.1
95.04969	12.6
95.07993	0.9
95.08602	17.6
97.02880	3.9
97.06532	2.5
97.10162	2.9
98.20734	1.4
99.04451	0.8
99.08099	0.6
100.59600	0.5
105.07035	13.8
107.04957	2.9
107.08587	12.0
109.02950	0.6
109.06536	1.7
109.10165	7.7
111.04415	1.2
111.08076	5.3
113.06001	0.7
115.05380	0.8
117.07042	2.8
119.08585	12.2
121.06562	1.0
121.10152	12.0
123.08055	1.4
123.11723	2.5
125.09666	1.3
127.03963	0.9
129.07016	4.0
131.08568	7.4
132.05727	0.6
132.06689	0.7
133.06464	1.1
133.10147	6.0
135.08055	0.9
135.11694	5.2
137.09625	1.1
137.13164	0.6
142.07805	1.2
145.04967	1.2
145.10114	4.5
147.08095	1.5
147.11703	8.3
149.09639	3.3
149.13312	3.0
151.11186	0.7
157.10089	6.6
159.11723	2.1
161.13260	1.2
163.06029	0.7
163.11188	2.2
163.14830	0.9
163.59576	0.6
165.12769	1.4
173.13312	2.0
175.11205	6.6
175.14853	1.1
179.02429	0.6
184.07361	2.3
187.14810	0.9
193.12251	18.7
207.11261	0.6
211.13290	25.4
227.12863	1.5
228.13150	0.7
243.21198	1.6
261.22214	4.8
267.15958	6.2
283.15436	1.2
284.15872	0.8
285.16977	28.3
301.25266	1.0
317.24829	1.0
335.25800	42.7
336.26172	2.4
382.74167	0.6
435.32602	1.3
436.86200	0.6
453.33813	1.1
474.58890	0.7
527.37415	8.7
544.37231	1.3
545.38367	100.0
546.38806	4.1
603.90295	0.6
689.42059	1.8
707.43561	0.9
766.55176	0.7
817.42395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79005	0.9
65.03938	1.9
67.05505	43.9
69.03419	4.0
69.07067	11.0
70.00568	2.8
71.04993	5.2
71.07364	2.1
73.02912	3.5
77.03944	1.0
79.05492	38.0
81.03419	51.2
81.07055	47.4
83.04990	10.9
83.08617	18.0
84.48557	0.8
85.02380	0.9
85.02905	27.9
85.06544	2.5
86.09710	20.4
91.03960	7.9
91.05483	33.8
93.06483	1.8
93.07047	35.8
95.04967	19.2
95.08610	30.7
97.02901	9.3
97.06535	4.5
97.10145	4.4
98.21436	1.4
98.98457	1.9
99.04462	1.0
99.08137	1.6
104.10728	1.1
105.04502	1.3
105.07030	23.1
107.04937	5.8
107.08585	16.0
109.02831	1.4
109.06496	3.5
109.10155	9.6
111.04446	2.8
111.08078	7.6
113.05949	1.8
117.07009	5.1
119.08581	22.9
121.06486	1.0
121.09335	1.2
121.10149	16.2
123.08044	1.9
123.11698	4.0
123.44559	0.9
125.00011	14.1
125.09626	1.9
127.03926	2.2
129.07022	8.8
131.08577	15.2
133.06500	2.0
133.10135	13.7
135.11705	5.8
137.09633	2.1
142.07784	2.6
143.08542	1.1
145.04944	2.7
145.10100	7.5
147.08046	2.5
147.11688	13.5
149.09653	5.5
149.13249	3.4
155.08524	1.0
157.10143	12.8
159.11671	4.6
161.13290	2.2
163.06067	2.1
163.11250	1.8
163.14862	2.3
165.12735	2.9
173.13222	2.9
175.11177	10.5
184.07344	58.0
187.14795	2.0
193.12256	39.1
201.16330	1.5
211.13290	58.7
212.13583	1.3
232.06949	0.8
243.21077	2.0
261.22141	9.2
267.15915	14.9
285.16971	70.6
301.25278	1.2
317.24765	3.1
335.25797	63.5
336.26086	2.3
369.24069	0.9
435.32535	2.1
453.33710	2.5
471.34735	1.2
527.37408	13.1
545.38373	100.0
546.38568	3.8
563.39032	1.2
599.07672	1.0
724.42316	1.2
886.46191	1.0
904.48438	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	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.6
67.05506	33.4
69.03434	3.3
69.07069	8.2
69.34077	2.9
71.04996	2.5
71.07334	1.5
73.02914	2.1
77.03895	0.5
79.05492	27.6
79.98786	0.3
80.28192	0.3
81.03416	30.2
81.07056	32.7
83.04984	7.1
83.08620	11.7
83.09348	0.4
85.02904	18.7
85.06503	1.1
86.09703	10.6
87.80801	0.3
91.03956	5.2
91.05479	23.9
93.07040	26.4
95.04969	13.5
95.08605	22.8
97.02310	0.5
97.02889	5.6
97.06541	3.3
97.10165	3.0
98.98425	1.3
99.04406	0.6
99.08067	0.8
103.05431	0.5
103.34127	0.3
104.10715	0.8
105.04465	0.6
105.07032	17.0
107.04956	3.0
107.07905	0.8
107.08598	14.1
109.02853	0.4
109.06531	3.0
109.10151	8.9
111.04395	1.1
111.08073	6.0
113.05972	1.4
115.05429	1.0
117.07005	3.2
119.04855	0.5
119.08578	14.4
121.06454	1.1
121.10143	12.7
123.08047	1.9
123.11702	3.0
125.00004	8.0
125.09595	1.9
127.03854	1.6
127.04679	0.4
128.06163	0.4
129.07007	5.7
131.08571	12.5
133.06468	1.2
133.09146	0.6
133.10118	9.8
135.07964	0.5
135.11697	6.1
137.09544	1.1
137.13199	1.0
142.07722	1.3
143.08495	0.7
145.04929	2.6
145.10135	3.7
147.07977	1.6
147.11674	10.0
149.09628	3.2
149.13251	3.2
151.11136	0.8
157.10136	7.3
159.11668	3.3
161.13245	2.1
163.06009	1.9
163.11177	0.7
163.14761	1.7
165.12701	1.5
169.09982	0.4
170.12189	0.4
171.11671	0.8
173.13261	2.6
175.11185	7.4
175.14792	0.9
177.16405	0.5
183.11694	0.5
184.07339	32.8
185.13246	0.7
187.14801	1.2
189.11148	0.5
193.12234	22.3
194.12601	0.6
197.13200	0.5
201.16470	0.5
211.13287	33.6
218.34953	0.4
219.42751	0.4
227.12637	0.6
229.14352	0.6
243.21028	2.2
261.22137	9.3
267.15909	10.7
269.17661	0.6
279.23233	0.4
283.15482	0.6
285.16956	41.1
286.17264	0.7
291.19580	0.6
301.25183	0.7
303.23193	0.4
317.24664	2.2
333.24265	0.5
335.25797	64.8
336.26099	1.7
337.27209	0.4
435.32626	1.7
453.33752	1.2
471.34317	0.8
509.36496	0.4
527.37268	12.2
528.38031	0.5
545.38373	100.0
546.38904	3.9
563.38977	1.0
689.42413	0.9
886.46600	0.4
904.47485	3.6
905.47168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	0.8
67.05504	24.2
68.86750	0.6
69.03416	3.1
69.07072	5.6
71.04987	2.5
73.02917	1.7
78.53938	0.5
79.05490	19.1
81.03416	32.4
81.07053	27.5
83.04973	6.2
83.08151	1.0
83.08617	12.9
85.02904	15.9
91.03949	2.2
91.05476	16.8
93.06488	1.0
93.07046	19.3
95.04969	13.3
95.08604	16.7
96.08896	0.8
97.02890	3.9
97.06534	2.5
97.10173	3.0
99.08102	1.1
105.04517	1.2
105.07031	13.3
107.04960	3.4
107.08597	11.7
109.05804	0.5
109.06497	2.7
109.10162	6.9
111.04465	1.4
111.08072	5.6
113.06000	1.0
115.05464	0.6
116.23066	0.5
117.07050	2.8
119.07803	1.1
119.08576	12.0
121.06495	1.4
121.10146	11.7
123.08105	1.4
123.11709	2.8
125.09673	1.2
127.03964	0.8
129.07005	4.6
131.08583	8.1
133.06493	1.5
133.10132	5.4
135.11676	4.5
137.09647	1.4
137.88701	0.6
140.78386	0.6
142.07794	1.3
145.10101	4.2
147.08073	1.3
147.11681	8.7
149.09634	3.9
149.13264	1.6
151.11168	1.0
157.10143	6.2
159.11708	1.8
161.13254	1.1
163.06047	0.8
163.11194	1.6
163.14876	0.8
165.12759	1.7
171.11720	0.8
173.13268	1.8
175.11182	7.2
175.14844	0.8
183.08604	0.6
187.14799	0.8
193.12236	23.6
201.16432	0.6
211.13281	35.8
212.13582	0.8
227.12831	2.1
243.21164	0.9
261.22095	4.6
267.15884	6.8
283.15533	1.7
284.15744	1.1
285.16959	31.9
286.17319	1.1
310.05246	0.6
317.24881	0.7
335.25790	34.0
336.26248	2.7
337.81439	0.6
400.71509	0.6
429.20941	1.0
435.32736	0.7
453.33694	1.6
471.35034	0.7
527.37433	7.7
544.37360	1.0
545.38361	100.0
546.38702	4.3
689.41901	1.0
905.49768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.9
66.04690	0.5
67.05505	41.7
68.05836	0.5
69.03399	2.0
69.07067	11.7
70.06541	0.6
70.07451	0.9
70.07846	0.9
71.04996	3.0
71.08628	0.7
73.02899	1.8
77.03882	0.6
79.05492	34.8
81.03419	3.3
81.07054	41.2
83.01289	0.5
83.04983	3.5
83.08616	9.5
85.02912	4.3
85.06509	1.4
85.10133	0.7
88.17602	0.5
91.03925	1.5
91.05479	16.5
93.07043	49.6
94.07364	0.5
95.04966	7.0
95.08606	52.9
96.08914	0.6
97.02887	5.7
97.06530	4.9
97.10157	3.2
99.04452	3.5
103.05469	0.9
105.04462	0.7
105.06319	0.6
105.07027	13.1
107.04961	8.1
107.08594	35.4
109.06541	2.7
109.10154	12.3
111.04426	1.7
111.08073	1.4
113.05968	0.8
115.05417	0.8
117.06225	0.9
117.07014	11.5
119.08582	14.7
121.06515	5.9
121.10143	21.4
123.08073	1.3
123.11699	3.2
125.05968	2.1
125.09617	0.8
127.03848	0.6
129.06990	1.0
130.07736	1.6
131.08566	5.6
133.10138	6.9
135.08041	1.9
135.11690	53.0
137.13229	0.9
139.07491	1.3
139.11176	0.6
143.08533	1.2
145.04875	0.6
145.10124	29.6
147.08139	0.5
147.11700	3.7
149.13228	3.6
153.12779	0.7
155.08517	0.7
159.11710	3.1
161.13261	2.8
163.11177	60.0
163.14804	1.9
164.11505	0.7
171.11664	0.8
173.09537	1.0
173.13260	1.6
175.14781	0.6
177.12808	0.7
181.12216	10.2
187.14801	1.5
189.12822	0.7
198.18877	0.5
201.16414	0.6
207.13861	0.6
209.11754	2.2
227.12781	74.5
228.13173	1.4
243.21133	2.5
261.14847	0.5
261.22122	8.6
267.15839	0.4
283.15390	100.0
284.15704	2.5
287.14862	0.7
313.27219	1.2
314.27606	0.7
317.24704	3.4
335.25800	91.4
336.26151	2.2
353.15671	0.8
427.19788	2.5
469.33057	0.5
473.35681	0.5
529.39008	2.3
543.36810	96.6
544.37256	5.2
561.37903	1.3
602.06335	0.6
613.36462	0.9
687.40961	2.0
705.41949	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	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.1
65.95531	0.4
67.05504	32.3
69.03394	1.1
69.07069	9.0
69.50823	2.8
71.04958	1.2
72.72513	0.4
73.02882	1.4
77.03873	0.5
79.05492	30.1
80.05790	0.4
81.03426	1.8
81.07054	34.2
83.04967	2.8
83.08156	0.4
83.08612	6.6
85.02909	2.4
85.06503	0.9
91.03899	1.4
91.04514	0.4
91.05479	13.3
93.07041	38.0
95.04971	5.3
95.08605	41.3
97.02896	3.8
97.06522	3.1
97.10126	1.2
97.53844	0.4
99.04462	3.2
99.08041	0.9
103.05458	0.5
105.04486	0.6
105.06325	0.5
105.07027	9.4
107.04953	5.1
107.08588	25.3
108.08906	0.5
109.06519	2.1
109.10153	9.7
111.04321	0.4
111.08051	1.6
113.05946	0.6
115.05346	0.4
117.06252	0.6
117.07014	7.6
119.08583	10.6
121.06503	4.1
121.10143	15.6
123.08042	0.9
123.11715	2.3
125.05968	1.9
125.09585	0.4
127.03976	0.5
130.07759	1.1
131.08563	4.4
133.10135	5.7
135.08020	1.8
135.11688	36.5
136.12006	0.5
137.09612	0.5
137.13263	1.0
139.07491	1.3
143.08502	0.7
145.04861	0.6
145.10115	20.9
146.10481	0.5
147.11693	2.0
149.13251	3.1
153.12717	0.8
157.10112	0.7
159.11700	1.9
161.13226	1.3
163.11179	39.0
163.14799	1.3
173.09517	0.9
173.13255	2.3
175.14845	0.5
181.12212	6.5
187.14717	1.0
189.16432	0.4
199.14798	0.5
201.16434	0.4
209.11610	1.1
227.12772	47.0
228.13150	0.7
236.89673	0.4
243.21088	2.1
248.85568	0.5
261.22134	6.9
283.15390	56.4
284.15649	1.1
317.24637	1.9
333.23883	0.4
335.25787	100.0
336.26126	3.4
427.19675	1.1
529.38971	1.0
543.36810	98.2
544.37213	4.8
545.33075	0.4
687.41125	0.9
705.41968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.4
67.05507	36.9
69.03452	0.7
69.07071	9.6
70.89381	1.2
71.04993	1.8
73.02915	0.8
73.06564	0.6
77.03875	1.2
79.05495	45.7
80.05827	0.8
81.03407	2.8
81.07058	37.1
83.04985	5.6
83.08622	5.7
85.02888	4.1
85.06534	1.2
91.03938	2.5
91.05482	34.3
93.07041	45.2
95.04965	8.8
95.08611	24.4
97.02882	2.0
97.06537	2.7
97.10159	2.4
105.04526	2.5
105.07034	24.5
107.04953	3.0
107.08596	15.8
109.06531	3.1
109.10166	7.7
111.08099	1.2
117.07005	6.0
119.08578	15.3
121.06502	1.7
121.10144	10.6
121.10955	1.2
121.13577	0.6
123.08062	2.8
123.11712	2.0
124.38872	0.6
128.06224	0.6
129.07004	8.6
131.08568	6.0
133.10158	7.6
135.11703	5.2
136.34386	0.6
137.13249	0.7
143.08563	4.0
145.10126	7.0
147.08046	1.0
147.11690	17.6
149.13263	2.8
159.11646	3.3
161.09601	1.7
161.13257	6.1
163.14880	0.9
169.10184	0.9
171.11699	11.8
173.13307	1.2
175.52213	0.6
187.14801	0.6
189.12701	3.6
207.13811	10.3
216.83496	0.6
225.14885	1.0
243.21074	2.2
261.22079	5.1
279.15973	2.0
281.17490	46.1
282.17862	1.4
283.19055	0.8
317.24777	1.4
335.25818	37.4
336.26151	1.6
383.22217	0.6
449.34195	1.4
518.18182	0.8
523.38666	1.1
541.38898	100.0
542.39142	5.4
559.39966	3.1
580.41870	0.7
774.43048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.5
67.05508	25.8
69.03421	8.7
69.07053	8.8
70.06589	11.0
71.05008	3.0
78.73767	2.2
79.05148	2.0
79.05503	24.4
81.03419	69.7
81.07056	28.7
83.04983	5.3
83.08624	22.1
84.04488	3.1
85.02902	6.6
86.09695	4.5
89.03143	2.2
91.05481	33.5
93.07030	18.6
95.01310	5.9
95.04974	28.8
95.08622	11.5
97.02901	10.7
97.06506	5.4
97.10174	10.5
99.00829	12.5
101.02409	2.9
103.05480	3.0
105.07045	25.2
107.04946	14.5
107.08601	12.9
109.02881	13.9
109.06511	9.4
109.10163	11.6
111.04411	3.0
111.08070	7.3
115.03914	3.1
115.05421	3.1
117.07007	7.0
119.04922	8.1
119.08577	19.1
120.08121	3.5
121.02898	2.3
121.06524	11.0
121.10110	6.4
123.04398	5.9
123.08054	5.0
125.09623	10.1
127.03915	6.1
128.06187	2.2
129.07011	12.4
131.04935	3.6
131.08565	15.4
133.06465	7.1
133.10139	31.2
135.04402	4.2
135.08009	2.8
135.11679	4.7
136.93230	2.4
137.02295	3.3
137.05949	4.6
137.09642	3.5
139.07506	2.7
143.08519	6.7
145.02806	3.5
145.06493	4.9
145.10115	6.7
147.04381	8.8
147.08026	5.5
147.11690	9.3
149.09622	5.8
151.03871	4.7
151.11162	8.9
157.06421	2.6
157.10182	11.1
159.04370	2.4
161.05937	5.1
161.09615	17.3
163.11147	5.2
167.08516	2.4
169.10123	2.6
171.08015	4.0
173.06017	2.6
173.09686	3.3
173.13045	2.7
175.03922	5.7
175.11205	7.6
177.05444	6.6
179.10669	7.9
189.09087	11.8
189.11121	4.0
193.12251	18.8
199.10878	2.5
207.06491	7.9
208.83498	2.7
219.13838	8.5
225.11209	7.1
227.10492	2.1
227.12685	3.2
267.15939	79.0
269.11591	2.7
273.14941	3.6
281.13583	4.1
287.12866	5.4
289.14362	2.9
299.14911	55.6
301.14481	2.6
315.12463	2.7
371.22037	2.3
381.20346	2.7
401.21152	2.2
407.16785	3.5
443.18716	3.7
445.25684	5.7
459.27203	3.3
463.26669	6.4
473.25275	26.7
477.28088	2.7
491.26419	100.0
492.26453	6.2
497.25989	2.6
509.27100	4.0
533.27179	4.2
539.26404	17.0
543.25854	2.7
557.27405	44.8
558.27649	2.8
575.28632	11.9
581.27332	4.8
587.28595	3.1
599.28369	14.9
607.97430	2.5
611.77838	2.7
617.29333	38.7
618.29443	3.6
635.30688	18.8
653.31470	3.2
761.33698	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	898.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.2
67.05506	36.6
69.03441	2.3
69.07068	9.3
70.56753	0.5
70.57079	1.0
71.04991	15.3
71.08633	19.9
73.02914	2.0
73.06548	0.7
76.15744	0.5
79.05497	9.0
81.03455	1.0
81.07057	61.4
83.05002	2.5
83.08620	11.6
85.02904	8.7
85.06548	7.0
85.10187	12.5
85.10672	0.8
87.04472	0.6
88.39851	0.4
89.06052	0.5
91.03960	5.1
91.05482	13.0
91.06026	0.9
93.07047	8.5
95.04972	0.9
95.08609	20.7
97.02892	3.7
97.06519	2.6
97.10171	6.1
97.87751	0.5
99.04467	0.9
99.08092	0.7
99.11722	1.3
105.07030	5.4
107.08596	6.7
109.06513	1.3
109.10156	11.4
111.08084	1.5
111.11733	1.1
117.07037	1.7
118.48643	0.4
119.08589	0.5
121.10153	2.4
121.32331	0.4
123.08095	0.9
123.11705	13.3
125.09637	0.8
125.13189	0.6
127.03922	2.5
131.08572	2.1
133.10133	11.8
135.11734	1.5
137.09595	0.5
137.13239	1.5
139.11250	0.5
144.40327	0.4
145.04980	2.0
149.13278	2.8
151.11194	5.3
159.11703	3.1
163.06027	2.2
169.12277	1.2
173.09554	0.4
177.12755	1.2
183.13855	2.6
184.07410	1.4
187.13283	3.9
195.13792	1.4
201.14824	0.6
239.23772	2.0
257.17389	0.9
257.24695	0.6
269.17450	5.7
301.20102	14.2
311.81961	0.5
313.27362	16.0
314.27631	0.6
335.25833	0.7
341.26883	0.6
445.24295	1.2
467.58139	0.4
481.38901	69.8
482.39468	3.0
495.40421	3.5
507.40497	6.3
509.42169	0.7
539.43085	100.0
540.43451	5.1
623.43225	0.7
641.44055	1.2
651.43774	0.5
669.45404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	12.9
67.05840	0.6
69.03429	2.7
69.07067	6.1
69.26226	2.7
69.26634	0.7
70.39798	0.4
71.01319	0.6
71.04953	0.8
71.08636	16.7
73.02917	2.9
73.06490	0.4
75.04464	0.4
75.56393	0.4
76.11047	0.4
79.05090	0.4
79.05490	4.9
81.03413	3.2
81.07059	16.9
83.04957	1.2
83.08619	12.9
85.02904	9.0
85.06505	1.7
85.10182	9.4
85.15298	0.4
87.04428	0.8
89.05991	1.5
91.03960	5.1
91.05486	13.6
91.06023	0.5
93.00595	0.4
93.07045	9.1
95.04956	2.9
95.08606	15.3
96.04420	0.5
97.02319	0.5
97.02892	7.5
97.06490	1.6
97.10172	4.1
98.20789	0.7
99.00812	12.5
99.04404	0.9
99.08057	0.6
99.11677	0.6
101.02339	0.6
103.05437	1.0
103.07542	0.8
105.07029	9.0
107.04960	4.6
107.08588	4.6
109.02885	8.3
109.06517	1.9
109.10163	8.2
109.63572	0.3
111.04395	0.9
111.08090	2.5
113.05973	0.6
115.03971	2.0
115.05477	0.5
117.06975	1.6
119.04884	1.2
119.08574	5.6
121.06503	4.9
121.10124	0.8
123.04395	1.2
123.08011	1.1
123.11709	3.7
127.03920	4.1
128.06187	1.3
129.06990	0.5
131.08546	0.9
133.06419	1.1
133.10135	25.2
135.08031	0.9
135.11673	0.9
137.05969	0.8
137.09610	0.6
137.13234	1.0
139.07523	1.9
143.08556	3.3
145.04922	1.7
145.06438	1.1
147.08020	1.2
151.11171	8.1
153.06950	0.7
161.09618	14.4
163.06021	2.8
163.07179	0.4
163.11116	0.5
165.09109	0.8
171.08043	2.9
172.67778	0.5
179.10667	7.3
184.07310	0.6
189.09100	6.8
197.11754	2.2
207.10168	2.5
225.11229	8.6
239.23750	1.1
243.12257	1.6
250.03267	0.4
257.24707	2.2
281.13812	5.3
299.14890	100.0
300.15161	1.7
313.27365	79.9
314.27692	1.8
425.18176	0.8
519.37146	0.8
537.37885	55.3
538.38226	1.9
684.41620	0.4
763.09595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.6361
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28236	0.8
64.74817	0.8
67.05508	4.8
69.07054	2.1
70.06570	0.8
71.04982	1.0
71.08634	33.9
71.50320	1.3
72.52716	0.8
73.02911	3.2
73.06549	6.4
73.37003	0.7
77.30548	1.0
79.05489	1.9
81.07063	3.0
83.08618	1.5
85.10188	34.8
86.09713	2.9
87.04474	23.2
87.04940	0.5
89.06033	100.0
91.05471	0.9
93.07053	3.1
95.04985	0.9
95.08591	5.1
96.08952	1.5
99.11720	5.0
103.02640	0.9
103.07601	5.3
107.07074	2.0
107.08631	1.7
113.05968	1.9
115.07558	0.9
117.09122	7.1
119.08591	1.1
123.08083	1.0
124.99974	1.5
130.08620	2.0
131.07062	6.1
133.08606	69.9
141.16379	2.5
149.02388	1.4
149.09607	0.9
161.11736	2.2
175.09695	4.8
177.09689	1.5
177.11227	25.5
184.07339	4.5
192.12019	1.0
193.04950	1.4
199.20584	2.5
208.41095	0.9
219.12318	1.4
221.13890	6.4
243.23178	4.0
265.16513	1.4
283.17386	1.2
309.19196	1.3
431.85007	0.8
476.34546	2.2
477.34949	2.1
535.39514	1.0
679.41486	1.8
861.78510	1.1
894.44623	3.8
894.63928	4.2
895.45770	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	892.6565
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25239	1.5
67.05512	1.7
69.07072	2.0
71.08633	100.0
71.50581	2.0
73.06557	2.6
79.86601	1.6
83.08607	2.2
85.10184	92.9
87.04473	16.5
89.06035	82.3
95.04988	1.6
97.10172	4.9
99.11731	21.1
101.09653	4.0
107.07148	2.4
110.67212	1.6
112.39610	1.7
113.13298	5.6
117.09129	24.5
130.08626	3.8
131.07040	4.6
133.08604	63.3
155.17958	12.9
175.09695	4.9
177.11227	25.0
184.07346	1.7
198.82278	1.7
213.22127	23.5
221.13768	3.6
271.26358	27.1
291.25891	1.4
327.20270	2.0
336.64297	1.5
469.60159	1.4
547.33087	6.2
892.50201	8.4
892.65588	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	888.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.9
67.05506	55.1
69.03411	2.0
69.07066	15.8
69.77928	3.8
71.04952	2.5
73.02910	3.6
75.22806	0.8
79.05495	36.6
81.03389	1.5
81.07056	65.7
83.05000	4.8
83.08621	11.7
85.02906	8.6
85.06522	3.1
91.03957	4.2
91.04926	1.1
91.05478	18.7
93.07046	50.5
95.05009	3.6
95.08604	29.2
97.02893	4.7
97.06525	7.4
97.10131	2.0
99.08062	2.3
105.04498	1.6
105.06408	1.1
105.07033	11.9
107.08595	28.0
109.06520	1.8
109.10166	10.3
111.08072	5.1
113.09645	1.1
117.07022	6.4
119.08562	7.6
121.06476	1.1
121.10145	22.2
123.11682	3.2
125.09610	0.8
127.03912	1.5
131.08568	10.5
133.10146	8.4
135.11691	11.9
139.11095	1.2
145.04955	1.9
145.10098	4.9
146.95528	0.8
147.11678	5.4
149.13260	23.5
151.11142	0.8
159.10471	1.1
159.11691	11.6
161.13268	1.7
163.06003	1.9
163.14763	1.6
165.12828	1.1
171.11760	0.7
173.13216	3.1
175.14799	0.9
177.12721	2.8
184.07379	1.1
187.14784	1.4
195.12103	1.0
195.13802	8.3
201.16417	0.8
226.52499	0.7
229.88104	0.8
243.21127	3.4
261.22131	9.9
267.15955	2.3
267.54703	0.8
269.17477	97.1
270.17743	1.8
285.04294	0.8
317.24765	2.1
335.25809	50.9
336.26151	2.4
374.46063	0.9
437.34082	1.8
455.35083	1.7
529.38898	100.0
530.39215	4.0
547.39691	2.7
844.28217	0.9
888.49933	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	886.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.3
68.05018	0.7
70.02956	0.7
70.06591	100.0
70.42219	0.8
71.06926	0.6
72.08153	13.8
79.05482	0.3
81.03421	0.3
83.79752	0.3
84.08136	0.6
85.04036	0.3
86.09734	0.5
88.03983	1.7
91.05479	7.6
95.04984	0.4
95.06094	0.5
97.02895	0.3
97.04013	0.5
97.07663	1.0
98.06052	1.4
98.21509	0.3
102.78420	0.2
103.05495	1.0
105.03390	0.7
105.07034	0.7
106.06571	0.8
107.04947	2.1
109.07639	0.5
111.04329	0.8
112.07605	0.6
115.05424	0.3
115.08701	0.7
117.05756	0.5
117.07050	0.3
118.06544	14.7
119.04930	1.5
119.07326	1.0
120.08112	4.5
121.02914	0.4
121.06551	0.4
121.07546	0.4
123.04452	0.4
124.07607	0.2
125.03433	0.3
125.07088	1.9
126.05528	0.5
127.08683	0.5
130.06540	0.9
131.04924	0.5
132.08130	0.5
133.06488	0.2
134.06007	5.4
135.06815	0.7
136.06554	0.3
136.07584	5.9
136.08524	0.2
137.06012	0.2
137.07082	5.6
138.07925	0.9
139.08684	1.1
142.47261	0.3
143.04529	0.7
144.08057	0.5
146.06007	32.2
147.04439	0.6
147.06386	0.6
148.07597	0.7
151.08565	0.3
152.08209	1.2
153.08963	3.9
155.08237	0.4
157.09726	21.2
158.06123	0.3
160.07602	0.6
160.11246	0.4
162.05505	6.3
162.06793	0.4
163.08739	0.3
164.07091	0.9
165.05481	0.6
165.09009	0.4
167.08235	0.7
168.09001	0.8
170.09676	0.4
172.11189	3.4
173.05876	0.3
173.07205	0.8
174.05544	0.7
176.07040	0.3
176.10727	0.6
177.05432	0.4
179.08569	0.4
182.08063	1.5
184.10904	0.4
185.09221	9.0
187.08699	0.4
187.12296	1.5
188.07103	1.1
189.06636	0.7
190.12341	0.5
194.09363	0.5
195.07887	0.3
197.07092	0.3
197.10818	0.5
198.05437	0.3
199.12335	0.7
201.06682	0.5
204.06577	0.4
206.11836	0.5
207.08179	0.4
212.11874	0.4
213.10306	0.4
214.05057	0.5
214.13522	0.5
215.11871	0.7
216.06641	1.0
216.12526	0.6
217.06119	0.6
217.13452	1.6
222.09169	0.3
224.10547	1.1
225.10313	0.8
226.13390	0.6
229.02133	0.3
231.07718	0.3
231.11392	0.3
233.09277	1.3
233.12788	1.3
234.11363	0.6
236.10829	0.9
239.06847	0.3
240.11403	0.4
243.11256	1.5
245.12946	0.3
246.09288	0.4
249.08801	0.9
250.08633	0.4
251.10307	1.3
252.10320	0.3
254.12921	1.1
256.14508	0.9
258.12378	1.7
259.07242	0.4
260.05637	0.8
261.08792	16.3
261.12408	9.7
262.09039	0.7
266.12961	0.5
268.14407	0.3
275.06512	0.3
277.08142	4.1
281.15088	1.0
282.12390	0.7
284.14056	0.9
286.10788	3.0
286.15475	4.9
294.12448	1.1
298.11038	0.5
300.13370	3.5
303.06430	0.4
304.16782	0.6
306.15112	0.3
307.12842	1.6
308.23254	0.2
312.13449	2.3
313.06964	0.4
330.14481	23.8
331.15042	0.7
334.14246	0.3
339.13446	0.6
351.13449	0.4
351.17188	0.3
352.70068	0.3
358.14081	0.4
360.39899	0.3
368.16031	0.4
376.14999	2.4
377.11282	0.3
378.14642	0.4
385.17661	2.7
386.17911	0.3
394.14130	0.6
397.17450	0.3
402.13058	0.6
422.13382	1.3
442.19742	0.4
445.17316	0.7
464.18176	0.6
465.21112	1.3
491.19440	0.6
493.21121	0.8
521.20496	1.0
557.22260	0.5
562.23480	0.5
580.24011	3.5
588.20691	0.3
590.26154	0.5
606.22095	2.3
702.27637	2.9
705.28680	0.8
730.26691	0.4
744.32202	1.0
771.33313	1.9
799.32947	4.0
850.33850	0.3
868.35345	0.5
869.34332	0.4
886.36078	17.0
887.36316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.0
67.05505	50.2
69.03429	2.0
69.07070	7.5
70.56164	0.8
70.56537	0.7
71.04994	14.6
71.08634	18.4
73.02925	2.5
79.05495	5.6
81.03389	1.7
81.07055	18.2
83.04969	2.1
83.08176	0.7
83.08620	10.3
85.02460	0.5
85.02901	8.1
85.06558	2.1
85.10188	10.3
89.06002	0.7
91.03956	5.7
91.04988	0.5
91.05484	6.6
93.06487	0.5
93.07045	7.9
95.04922	0.7
95.08606	19.7
97.02883	4.2
97.06487	1.8
97.10168	3.6
99.04423	0.8
99.11687	0.7
105.07021	0.9
107.08569	3.5
109.02906	0.6
109.06458	0.5
109.10156	52.4
111.08073	2.3
111.11689	0.8
112.54634	0.4
116.19957	0.4
116.78178	0.4
117.06991	1.0
119.08588	7.5
121.10116	1.8
123.11700	2.7
127.03890	2.1
135.11682	6.9
137.09610	8.2
137.13219	1.2
145.04977	2.1
145.10129	1.7
151.14757	0.5
153.27985	0.4
155.10703	2.8
163.06033	2.6
163.11198	2.4
169.12218	1.6
173.11726	7.2
181.12195	1.2
187.13213	0.9
221.22755	0.7
239.23712	1.9
243.15804	0.8
255.15938	5.0
287.18527	17.1
313.27353	13.5
341.26776	0.6
366.52490	0.5
405.55185	0.4
419.66211	0.5
431.22952	1.1
455.63602	0.5
467.37344	76.2
468.37524	2.8
481.38925	2.3
493.38968	4.9
495.40933	0.6
500.58240	0.5
511.29785	0.5
525.41516	100.0
526.41901	3.8
542.45166	0.4
669.45941	0.8
884.52521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.8
67.05501	5.2
68.99802	7.8
69.03432	4.6
69.07062	3.2
70.06598	12.5
71.49340	3.2
72.08139	2.8
74.06048	2.7
79.05495	2.7
81.03434	7.9
84.08139	4.5
85.02891	5.9
86.09679	2.8
89.03919	5.9
91.05486	5.5
95.04967	6.2
97.02876	2.8
107.04953	9.1
107.08611	2.2
109.02888	5.6
111.00819	2.9
111.04431	10.7
115.05414	2.1
119.04963	10.8
119.08555	2.5
120.08067	3.1
121.02872	49.6
123.04430	61.1
127.03929	4.7
131.04924	3.5
133.10121	2.9
135.04413	47.4
136.07526	2.3
137.02335	46.1
137.06006	2.7
139.03888	8.0
139.05457	7.3
145.02823	13.3
147.04434	15.1
151.03918	6.4
153.01845	11.1
159.04440	3.5
161.02322	4.8
161.06001	3.0
163.03911	56.4
165.01842	10.3
165.05475	3.6
167.03430	2.6
167.04826	5.2
167.07082	2.3
169.06514	2.8
173.05989	2.7
175.03909	10.7
177.01888	5.2
177.05472	10.3
179.03413	46.3
181.05014	2.5
185.05984	12.7
187.03946	6.6
189.01855	4.8
191.03352	17.8
195.02878	5.6
195.04495	4.9
201.05453	5.7
203.03383	35.2
203.05180	2.6
205.04997	7.1
207.02928	7.5
213.05417	16.7
214.49615	2.3
217.04930	3.9
219.02924	5.7
221.04468	13.6
225.05565	4.0
229.04968	4.8
231.06520	100.0
233.04495	2.5
238.26942	2.3
242.80592	2.6
243.06570	5.0
247.05986	14.2
249.05576	2.7
253.04968	4.0
255.02852	3.5
255.06516	3.0
257.04297	2.7
265.05075	4.1
267.06509	11.1
269.04434	4.5
271.05991	7.7
273.03909	2.8
279.06595	4.2
281.04498	6.5
281.08121	6.4
283.05975	66.7
284.06775	6.0
287.05499	50.7
289.07019	27.5
293.04276	3.2
294.05194	17.8
295.05997	48.7
296.06732	5.6
297.04236	4.8
297.07620	12.5
298.08051	2.5
299.05508	13.1
301.06903	5.0
305.04593	2.2
305.08020	3.7
307.05923	19.0
308.06821	10.3
309.03891	7.7
309.07611	23.3
310.04602	3.2
311.05585	4.5
313.03653	3.4
313.07050	67.4
321.07391	13.3
322.08276	6.5
323.05484	11.0
323.09186	14.9
325.07071	71.6
333.07513	7.9
335.01999	4.2
335.05472	16.6
335.09146	5.3
337.03714	2.3
337.07065	64.1
337.11105	3.7
338.07513	3.4
339.04990	5.4
341.06601	17.6
345.07532	4.4
347.09143	4.9
349.07150	14.1
351.08475	16.0
355.04446	1.8
355.08160	46.5
357.07532	5.5
361.07135	14.1
363.08856	4.6
365.10306	8.5
367.08173	22.8
373.07089	6.0
375.08868	6.6
377.06607	4.9
379.08182	43.6
391.08340	17.7
397.09103	7.7
401.06314	3.7
403.08261	26.1
407.07590	9.6
409.09186	44.3
415.10382	38.8
417.09760	3.7
419.07693	5.6
421.09167	18.6
427.08261	6.7
429.10156	3.3
431.07458	7.9
433.04785	2.7
433.09415	34.8
439.10260	15.8
445.04684	5.4
445.10037	4.2
447.10779	2.8
449.08862	13.9
451.10672	11.7
457.11340	47.7
459.10873	3.5
466.70798	2.9
469.08957	3.2
471.07465	4.2
473.08725	11.7
475.05942	11.1
483.06927	5.0
485.09161	3.6
487.10129	6.7
491.09204	3.5
499.05759	6.5
499.10733	4.1
515.09766	4.7
517.11761	3.0
523.10883	3.1
533.10760	3.6
535.12219	8.5
551.10608	2.7
559.08722	2.9
563.10016	3.2
581.10736	17.0
593.10815	6.1
611.11914	17.2
623.11780	4.8
635.11804	19.3
647.11102	10.3
659.11395	3.8
665.12646	7.2
677.12695	10.0
695.13666	18.4
713.15063	20.6
715.14368	15.8
733.15466	15.1
745.15381	13.5
763.16840	27.9
769.15479	6.3
787.03320	3.2
787.16589	41.8
799.16437	2.7
811.16266	3.6
817.16675	6.8
829.17218	8.7
847.18311	20.4
865.19635	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	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05504	15.5
69.03436	2.8
69.07061	7.2
71.04992	2.4
71.08633	14.3
73.02908	2.4
78.06019	0.5
79.05491	11.4
81.03420	31.8
81.06590	1.1
81.07057	21.4
81.07536	1.2
83.04978	7.4
83.08620	15.4
83.09119	0.7
85.02905	22.5
85.06537	1.4
85.10182	9.3
87.04504	0.9
89.06034	1.0
91.03944	5.2
91.05482	16.0
93.07046	9.7
95.04973	13.5
95.08601	15.6
97.02892	6.9
97.06538	1.6
97.10166	5.5
99.04494	0.6
99.08109	0.7
101.40361	0.5
103.05471	0.5
103.07555	0.7
105.07027	10.2
107.04949	3.3
107.08605	3.3
109.02871	0.7
109.06471	2.7
109.10158	6.5
111.04440	1.2
111.08085	5.6
111.11742	0.8
113.06010	0.7
115.05438	0.7
117.07053	0.7
118.10332	0.5
119.08585	9.3
121.06487	0.9
121.10124	5.1
123.08057	1.4
123.11726	3.5
125.09659	0.8
127.03928	1.8
129.07007	6.7
130.49304	0.5
131.08572	5.4
133.06583	1.1
133.10147	6.0
137.09668	1.6
137.13261	0.9
142.07774	1.5
145.04967	3.1
145.10127	0.8
147.08025	1.7
147.11694	8.7
149.09583	3.0
155.98640	0.5
157.10115	8.2
163.06097	2.7
165.12781	2.0
175.11177	8.9
184.07317	0.6
193.12244	26.9
211.13293	40.8
239.23688	1.9
249.14850	1.0
257.24826	1.6
267.15906	14.5
267.18591	0.7
268.16348	0.6
285.16953	57.5
286.17337	1.4
298.64590	0.6
313.27362	63.0
314.27829	1.9
396.70740	0.5
409.48035	0.6
465.35739	1.5
505.38885	14.3
523.39954	100.0
524.40161	4.3
714.17981	0.6
907.61395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	20.8
67.28622	0.6
69.03413	1.4
69.07068	11.3
69.59448	1.2
69.59872	2.5
71.04968	2.5
71.08635	18.1
72.22507	0.6
73.02917	3.1
79.05494	9.2
81.03392	2.0
81.07056	54.7
83.04993	3.4
83.08153	0.8
83.08616	10.1
84.85989	0.6
85.02459	0.7
85.02907	9.7
85.06539	3.5
85.09749	0.8
85.10184	11.1
87.04419	1.0
89.06025	1.3
91.03517	0.5
91.03957	6.1
91.05479	13.6
93.07050	6.0
95.04928	1.6
95.08608	23.2
97.02892	5.3
97.06523	4.4
97.10188	3.8
98.21511	0.7
99.08084	2.7
101.05978	1.1
103.07533	0.6
105.07031	21.7
107.08594	7.8
109.06507	2.9
109.10160	6.9
111.08021	1.0
111.11670	0.6
113.05989	1.3
119.08587	17.2
121.09354	1.0
121.10149	13.8
123.08030	2.2
123.11705	22.1
125.13223	0.9
127.03912	2.2
127.07530	1.9
128.78366	0.6
129.06964	1.0
129.18906	0.5
131.08557	0.8
133.10158	2.6
137.13240	2.5
141.09113	1.1
145.04953	2.9
147.11691	46.6
149.09654	0.8
157.10118	1.8
163.06012	3.9
165.12747	19.9
175.11154	1.7
183.13715	1.8
193.12195	1.6
211.13399	0.7
224.24384	0.5
229.14310	3.5
239.23695	2.3
241.43813	0.6
257.24744	1.8
267.15921	82.7
268.16248	1.2
285.16965	94.2
286.17310	1.8
313.27362	88.9
314.27716	2.0
317.76801	0.5
331.28403	2.2
391.29922	0.6
505.38800	0.6
523.39960	100.0
524.40344	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	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.9
63.46137	0.4
65.03925	0.9
67.05504	12.5
69.03410	1.1
69.07072	7.4
69.31363	3.7
70.32186	0.5
71.04961	1.8
71.08631	15.9
73.02900	1.9
79.05495	13.7
79.31725	0.5
80.45204	0.4
81.03363	1.3
81.07053	17.1
83.04984	2.1
83.08620	11.6
85.02905	3.7
85.06516	0.8
85.09673	0.4
85.10181	9.7
89.05997	1.9
91.03918	1.8
91.05481	4.6
93.07047	21.0
95.04969	3.6
95.08608	31.4
97.02888	4.1
97.06551	2.5
97.10162	3.3
99.04427	2.9
99.11681	0.7
103.05471	0.4
103.07536	1.2
105.04428	0.5
105.07038	4.6
107.04977	5.0
107.08594	17.7
109.06493	0.8
109.09495	0.7
109.10159	8.3
111.04393	0.8
111.08044	0.7
117.07015	5.9
117.09079	0.5
119.08578	6.2
121.06529	3.3
121.10142	9.5
123.11709	2.6
125.05961	1.7
127.03888	0.8
128.17456	0.4
130.07755	0.9
133.08568	0.6
133.10072	1.6
135.08026	1.8
135.11693	38.3
137.13223	1.0
139.07478	1.4
145.10126	21.6
145.59734	0.5
146.10536	0.7
151.14789	0.7
153.12715	1.3
163.05995	1.2
163.11183	51.6
181.12238	9.0
209.11726	1.0
224.53769	0.5
227.12788	50.2
228.13132	0.7
234.21973	0.4
239.23607	1.6
252.64432	0.5
257.24698	2.1
267.45749	0.5
283.15399	87.2
283.84848	0.5
284.15729	1.4
313.27362	86.2
314.27838	2.9
521.38391	100.0
522.38660	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	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89989	0.3
65.03912	0.4
67.05502	10.3
69.03438	2.6
69.07068	4.5
70.99720	0.6
71.00037	0.4
71.04978	1.4
71.08630	10.5
73.02917	1.7
79.05074	0.6
79.05495	7.4
81.03417	27.1
81.07054	13.1
81.07531	0.7
83.04978	5.9
83.08618	15.2
83.09122	0.7
85.02907	13.5
85.06543	1.1
85.10180	7.1
87.04467	0.5
89.06012	0.7
91.03953	2.3
91.05479	8.0
93.07044	4.7
95.04965	10.7
95.08604	10.4
97.02886	3.3
97.06512	1.7
97.10158	3.8
99.11707	0.5
104.59337	0.4
105.07029	7.0
107.04956	1.7
107.08588	2.6
109.06515	1.6
109.10163	4.7
111.04432	1.3
111.08088	5.5
111.11700	0.7
113.06035	0.8
115.05419	0.5
117.06995	0.5
119.04919	0.4
119.08586	5.9
121.06496	0.5
121.10123	3.3
123.11709	2.3
125.09642	0.7
127.03918	1.2
129.06995	4.0
131.08583	4.0
133.06476	1.3
133.10146	3.1
135.11664	1.0
137.09648	0.8
137.13271	0.5
142.07777	1.2
145.04938	1.0
145.10112	1.0
147.08057	1.4
147.11687	6.3
149.09586	2.3
157.10133	5.9
163.06009	1.1
163.11168	0.8
165.12755	1.3
175.11183	6.7
193.12242	22.1
198.84424	0.3
207.76242	0.4
211.13286	25.9
239.23717	1.0
257.24838	0.8
267.15903	6.9
283.15338	0.7
284.15753	0.6
285.16962	24.6
286.17273	0.6
313.27356	33.4
314.27631	1.7
315.28162	0.5
328.60437	0.4
429.21259	0.7
505.31467	0.6
505.38861	7.6
521.39221	0.4
523.39935	100.0
524.40240	4.1
667.43341	0.8
810.00397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.6404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50807	0.9
67.05521	1.2
69.07068	2.8
70.08771	4.4
71.08635	74.6
73.02920	2.3
73.06538	3.4
74.09728	2.4
74.56002	0.8
81.07047	1.0
83.08621	2.4
85.10186	65.8
87.03942	1.1
87.04472	22.4
89.06034	100.0
91.07612	1.0
97.10200	1.9
99.11727	13.0
101.09617	1.2
105.82660	1.0
107.07076	1.6
113.06023	1.4
113.13302	5.8
117.09133	9.8
129.09093	0.9
130.08647	2.2
131.07031	6.1
133.08609	76.1
155.17950	9.4
161.11726	1.8
173.11780	1.2
175.09712	5.6
177.11241	27.8
213.22116	18.0
219.12250	2.8
221.13818	7.6
221.20183	1.0
265.16507	1.8
271.26212	4.5
283.17606	1.8
353.21820	1.3
371.22760	1.3
547.33148	1.2
591.35742	4.5
878.64117	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	878.6406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	1.4
69.07052	3.2
71.08628	100.0
71.37700	0.9
71.50075	1.2
72.08952	1.2
73.02902	1.1
73.06554	2.9
79.05470	1.1
81.07029	3.0
83.08614	4.9
85.10180	96.6
87.04467	17.9
87.08126	1.1
89.06026	77.0
95.08601	1.2
97.10153	1.5
99.11727	12.5
100.32095	1.0
100.93862	1.2
101.09641	3.3
103.07590	2.6
111.11671	1.6
117.09136	19.9
130.08614	1.9
130.31064	1.0
131.07043	7.2
133.08598	66.9
141.16380	9.7
158.11670	1.4
173.11679	1.2
175.09711	3.9
177.11221	25.6
191.12930	1.3
194.91272	1.0
196.49408	1.1
199.20561	25.3
207.34669	1.2
219.12236	2.3
221.13792	5.7
233.32782	1.5
240.23164	1.5
244.80072	1.2
257.24753	26.8
267.15829	2.2
309.19016	1.2
313.27533	1.7
406.89209	1.2
505.38428	1.5
547.33136	7.8
610.85248	1.4
878.46484	5.8
878.63776	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	878.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	2.6
61.03179	0.5
65.03924	0.9
67.05135	1.0
67.05505	19.5
69.03419	1.2
69.07075	6.7
69.55734	1.8
69.56172	1.5
71.05006	0.5
71.08636	12.2
72.08160	0.8
73.02925	2.1
73.06555	0.6
79.05495	25.1
81.03423	2.9
81.07058	21.1
83.04990	5.0
83.08628	7.2
85.02907	2.7
85.06557	1.0
85.10185	7.3
89.06035	0.7
91.03967	1.9
91.04912	1.0
91.05483	19.4
93.07044	23.3
95.04970	6.9
95.08002	0.8
95.08610	15.7
97.02901	1.7
97.06535	1.6
97.10171	2.9
99.11729	0.7
105.04527	0.6
105.07035	15.0
107.04934	2.3
107.08606	6.3
109.06560	2.6
109.10169	4.6
111.11749	0.7
117.06994	2.6
119.08595	8.9
121.06516	1.0
121.10158	1.5
123.08084	1.7
123.11720	1.9
125.09562	0.5
127.03890	0.6
127.07594	0.6
128.06236	1.0
129.07014	6.3
131.08549	1.2
133.10141	3.7
135.11746	0.9
137.13235	0.8
143.08562	3.2
145.10139	3.4
147.08063	1.3
147.11688	14.4
156.09393	0.6
161.09668	2.2
161.13254	4.7
162.07581	0.5
163.11194	0.5
171.11694	10.4
189.12769	4.3
207.13814	14.1
225.15059	0.6
239.23682	0.9
257.24768	1.2
281.17477	51.5
282.17886	0.7
293.96881	0.5
313.27359	40.6
314.27682	1.1
326.87589	0.5
381.21768	0.6
519.40466	100.0
520.40692	5.1
755.20770	0.6
878.52057	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	878.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.8
65.03912	1.2
67.05506	22.2
69.03394	1.4
69.07076	7.3
69.40795	0.5
69.58115	1.2
69.58524	1.8
71.04979	1.1
71.08638	13.0
73.02896	1.5
73.06525	1.0
74.90571	0.5
77.03919	0.7
79.05495	29.2
81.03418	3.8
81.07057	21.4
83.04984	7.1
83.08620	7.3
83.67785	0.5
85.02899	3.4
85.06512	1.6
85.10181	6.6
87.04465	0.5
89.06021	1.1
91.03961	2.5
91.04912	0.7
91.05482	21.0
93.07044	25.4
95.04971	6.8
95.08611	18.6
97.02866	1.8
97.06510	2.0
97.10175	3.1
98.20741	0.7
99.11716	0.7
105.04490	1.1
105.07036	15.9
105.72070	0.6
107.04923	2.3
107.08601	6.0
109.06493	2.0
109.10160	5.7
115.04078	0.5
117.07005	4.4
117.09087	0.7
119.07818	0.8
119.08584	10.2
121.06448	1.4
121.10108	1.8
123.08031	2.1
123.11696	1.5
125.09530	0.6
127.03912	1.0
128.06252	0.7
129.07028	6.3
131.08530	1.0
133.10143	5.0
143.08569	3.6
144.07123	0.5
145.10144	4.4
147.10509	0.9
147.11693	16.5
161.09607	1.9
161.13225	4.1
163.05942	0.5
163.11145	0.6
165.66052	0.5
166.05943	0.5
171.11693	12.6
189.12759	4.4
207.13802	9.9
225.14886	1.0
239.23682	1.2
257.24707	0.8
275.68329	0.6
281.17484	89.1
282.17834	1.7
313.27380	33.4
314.27853	1.0
519.40472	100.0
520.40735	5.3
556.28302	0.6
878.51459	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	875.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.1
67.05511	4.1
69.03432	2.9
69.07065	0.8
71.01349	0.3
71.04981	0.5
71.50494	0.4
71.50922	0.3
73.02909	3.2
74.45991	0.3
79.05499	3.0
81.03432	1.2
81.07060	3.9
83.04970	0.4
83.08621	0.5
85.02907	3.3
85.10155	0.4
87.04524	0.3
91.03954	2.6
91.05481	1.7
93.07032	2.9
95.05019	0.5
95.08617	2.1
97.02891	3.6
97.10176	0.5
99.04469	0.4
101.02374	0.9
103.03957	0.5
105.07061	1.3
107.08572	1.4
109.02887	0.8
109.06626	0.3
109.10150	1.4
110.99686	0.2
111.03181	0.3
117.07039	0.5
119.08627	0.9
121.10123	1.3
123.08102	0.5
123.11687	0.4
125.09644	0.5
127.03937	1.2
131.08607	0.7
133.10161	0.7
135.08022	0.3
135.11746	0.4
145.10146	0.4
147.11742	0.3
149.13289	0.3
159.11742	0.3
161.09677	0.4
173.09732	0.5
217.15732	0.3
219.46904	0.2
243.08530	1.2
263.16501	0.5
289.17941	0.3
335.25763	0.5
347.18274	9.6
349.20087	0.4
361.20062	0.8
379.20926	22.1
380.21164	0.6
403.20963	0.4
420.51047	0.3
480.22107	0.3
519.29169	3.3
531.75830	0.3
565.26361	3.3
593.18201	0.3
597.28870	3.1
843.48401	0.4
875.51270	100.0
876.51508	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	874.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01338	0.6
61.02930	4.4
65.03935	1.8
67.05506	40.4
69.03431	2.1
69.07068	10.6
70.94527	1.4
70.94847	0.6
71.01363	2.4
71.04996	2.6
73.02916	1.3
79.05495	34.2
81.03428	2.8
81.07057	32.2
83.04983	9.2
83.08628	5.0
85.02908	6.5
85.06554	2.5
86.09702	0.8
91.03965	4.1
91.05482	15.8
93.07046	46.0
94.07391	0.8
94.72449	0.6
95.04975	5.0
95.08610	26.9
97.02896	3.0
97.06526	7.4
97.10197	5.3
99.08093	0.8
105.04545	1.0
105.07039	10.4
107.04940	1.3
107.08601	26.3
108.85616	0.7
109.06544	1.6
109.10152	10.9
111.08093	2.6
115.05482	0.7
117.07027	5.9
119.08585	9.8
121.06494	1.3
121.10151	15.1
123.04440	0.7
123.08043	1.2
123.11720	2.5
125.09654	1.6
127.03973	1.1
129.07027	0.9
131.08559	5.9
133.10139	7.9
135.08067	1.1
135.11699	30.4
137.09596	1.2
143.08594	1.2
145.04955	1.3
145.10135	8.4
147.11688	3.3
149.09726	0.8
149.13248	3.5
153.12758	3.4
157.10152	0.9
159.11716	4.0
161.13309	2.4
163.05971	1.9
163.11191	4.3
163.14828	2.0
171.11711	1.1
173.13264	3.1
175.14815	1.2
177.16280	0.8
181.12256	8.0
183.11755	1.1
185.13304	0.7
187.14857	2.1
195.11760	1.0
199.13257	1.2
201.16516	0.8
217.98372	0.7
218.40852	0.6
219.17517	0.9
221.15402	1.6
222.15840	1.0
227.12718	1.3
231.82063	0.6
238.97383	0.7
243.21124	2.6
253.14441	2.1
255.15919	51.7
255.60893	0.7
256.16196	1.2
257.17413	0.7
261.22208	9.8
317.24811	2.8
335.25815	45.6
336.26196	2.2
423.32584	2.5
441.33847	2.0
459.35162	0.8
515.37335	100.0
516.37628	3.8
533.38367	3.0
701.08356	0.7
749.88654	0.7
787.76373	0.7
801.34869	0.9
874.47809	3.3
875.46063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44557	1.6
65.03938	3.5
67.05508	23.4
69.03426	10.0
69.07076	7.8
69.46143	4.7
69.46563	7.1
77.03922	2.2
79.05498	25.0
81.03432	2.9
81.06597	1.8
81.07063	31.5
83.04973	6.7
83.08600	2.5
85.06538	2.8
91.05476	41.8
91.06012	2.4
93.06487	3.6
93.07050	52.1
93.07643	3.0
94.07387	1.6
95.04974	13.5
95.08610	34.2
97.05006	1.5
97.06541	4.8
103.05455	4.5
105.07037	61.3
107.04967	4.1
107.08600	30.9
109.02883	2.0
109.06543	8.7
109.10158	17.7
111.08063	2.4
115.05482	4.1
116.06306	1.9
117.07021	16.4
119.04967	6.5
119.08585	62.3
120.08845	3.2
121.06514	6.5
121.10146	40.4
123.04436	36.4
123.08079	20.6
123.11744	4.7
125.02346	3.6
125.06014	8.7
128.06242	8.3
129.07008	13.9
130.07771	5.3
131.08578	27.2
133.06503	5.2
133.07506	1.9
133.10143	34.6
135.04416	3.7
135.08063	11.4
135.11711	9.9
137.05994	3.2
137.09656	12.9
139.03897	7.7
141.07007	5.2
142.07790	10.8
143.08574	22.1
144.09315	5.6
145.06503	3.3
145.10139	44.8
146.10442	2.9
147.04436	17.2
147.08046	22.3
147.11699	17.6
149.06001	2.7
149.09630	6.2
149.13309	3.3
151.03909	36.7
151.07558	24.9
153.05473	7.7
153.07013	5.2
153.09221	2.7
154.07774	2.0
155.08543	11.3
156.09369	10.3
157.10138	36.5
158.10748	4.9
159.08067	3.4
159.11705	25.0
160.12102	2.9
161.06000	4.1
161.09645	5.6
161.13226	8.1
163.03937	4.0
163.11212	11.4
165.05475	13.8
165.06963	4.5
165.09120	48.9
165.10538	2.8
166.07825	2.2
167.08577	7.1
168.09341	5.1
169.10132	13.4
170.10880	6.4
171.08069	4.0
171.11691	21.1
172.08694	1.8
172.12280	2.0
173.06065	2.3
173.09619	5.7
173.13261	15.5
175.03970	1.8
175.07552	2.1
175.11200	6.2
175.14862	9.1
176.11635	2.0
177.05501	14.0
177.09128	4.2
177.12704	1.9
178.07896	1.8
179.07018	4.9
179.08557	7.3
180.09320	3.8
181.10265	8.1
181.12244	18.0
182.10919	2.3
183.11703	14.4
184.12407	4.0
185.09651	3.6
185.13162	9.9
187.11180	6.2
187.14809	7.2
189.05531	10.0
189.12733	7.9
190.13480	2.3
191.07080	9.6
191.10721	2.3
191.14276	2.8
192.09323	2.9
193.04993	1.9
193.10155	6.8
193.12209	3.9
194.10892	4.2
195.11732	12.1
195.13596	2.6
196.12468	4.6
197.09663	3.5
197.13252	15.3
198.13618	1.8
199.11237	4.4
199.14783	6.5
201.12733	2.6
201.16499	2.0
203.07069	6.2
203.14290	18.6
205.10300	2.0
206.10934	3.5
207.11748	4.9
207.13776	7.1
208.12505	4.6
209.13246	12.4
209.15344	4.4
210.13872	2.2
211.11264	1.8
211.14848	7.0
213.12637	2.6
213.16391	5.2
215.07162	4.0
217.08638	6.8
217.15775	3.0
219.11688	2.9
220.12431	2.5
221.13309	8.0
221.15361	100.0
222.13855	2.9
222.15738	5.8
223.14803	6.1
225.12776	2.6
225.16429	2.5
227.07094	5.7
227.14293	2.8
227.18156	2.1
229.08606	7.0
233.13277	4.1
234.16124	3.2
235.11157	2.1
235.14853	4.0
235.16957	2.0
237.16438	3.4
239.17871	2.1
241.08598	6.4
243.10214	5.5
246.14000	1.9
246.64798	1.8
247.14703	2.6
247.16971	7.1
251.17871	2.2
253.08641	8.0
254.09036	2.6
255.10207	9.2
257.11749	5.5
257.18918	2.0
260.11664	2.0
261.16354	3.2
265.08530	2.9
265.12119	2.2
267.10202	6.3
269.11752	5.7
269.19040	2.3
271.16873	2.4
279.10229	6.0
280.70840	1.7
281.11740	10.6
281.19128	2.2
283.13251	4.0
283.20734	3.1
286.19189	8.5
287.20093	35.8
288.20422	11.3
293.11737	5.8
295.13391	5.1
297.14944	3.7
299.20062	6.2
300.20770	7.2
301.21713	8.3
303.08609	16.0
305.12027	2.5
307.13135	4.4
309.14786	3.1
311.19998	1.7
313.21591	5.2
319.13336	2.2
323.16516	2.4
325.21564	3.2
326.22052	2.3
327.15958	2.4
327.23090	2.1
329.10474	3.5
329.17389	2.0
333.14975	3.3
335.16391	5.3
337.17935	6.9
341.10162	3.5
341.17545	3.7
345.14850	1.9
349.18097	4.2
352.23984	11.1
353.17480	11.4
353.24023	8.4
354.17914	4.2
355.19070	9.5
365.24622	3.9
367.19049	6.8
367.26297	9.6
375.26801	1.9
377.20691	2.2
395.22064	3.0
403.22632	2.5
407.22049	3.7
419.22171	3.1
421.23843	3.6
421.30563	1.7
432.42105	1.8
433.23758	3.5
435.25372	4.8
464.33090	2.7
465.33328	3.1
479.20627	3.8
487.28259	4.4
493.22256	5.2
505.22180	14.4
506.22522	7.3
513.30103	4.1
519.23358	2.6
543.24493	2.1
583.41248	2.3
685.43280	2.4
703.43085	6.2
721.44623	9.1
780.41693	2.3
793.42419	8.9
837.48041	2.0
855.47937	6.5
873.48834	39.0
874.47449	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	873.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.4
67.05507	18.1
68.99786	1.7
69.03429	9.9
69.07073	9.2
69.46117	7.2
69.46517	2.0
70.06583	4.7
77.03899	2.1
79.05492	19.4
81.03413	3.9
81.07055	26.7
83.04977	3.6
83.08594	3.0
86.09682	2.5
91.05479	33.7
93.07047	43.3
95.04980	9.6
95.08607	25.3
97.05565	1.6
97.06519	5.0
103.05464	3.8
105.04562	2.0
105.07030	59.8
106.07353	2.2
107.04964	2.9
107.08592	28.7
109.02843	1.6
109.06536	7.9
109.10142	11.0
111.08067	3.1
115.05421	4.4
117.07011	11.0
119.04924	5.1
119.08582	59.4
121.06488	7.4
121.10152	29.6
123.04427	34.2
123.08083	19.0
123.11711	5.0
125.02316	2.0
125.05966	7.3
125.09593	1.7
128.06210	7.0
129.07004	10.3
130.07777	2.5
131.08563	20.2
132.09312	2.5
133.06488	3.0
133.10130	32.6
135.04439	3.4
135.08063	11.1
135.11664	9.5
137.05945	2.8
137.09610	13.5
139.03896	5.4
139.11107	1.7
141.06973	4.4
142.07791	8.2
143.08566	21.4
144.09300	4.4
145.06462	2.6
145.10121	38.8
146.10458	1.6
147.04390	13.3
147.08054	21.8
147.11703	16.5
148.08592	1.6
149.05998	2.6
149.09621	4.1
151.03894	28.9
151.07550	17.3
153.05460	8.3
153.07045	2.3
155.08537	8.7
156.09337	10.3
157.10130	25.9
158.10851	2.8
159.08090	3.1
159.10469	2.0
159.11691	23.2
161.09589	5.5
161.13269	6.0
163.03949	3.7
163.07529	1.7
163.11209	8.9
165.05461	16.9
165.06917	3.9
165.09108	43.1
166.07739	3.0
167.07120	1.4
167.08582	4.0
167.10698	1.8
168.09377	2.6
169.10141	13.0
170.10867	5.5
171.08052	1.9
171.11700	16.7
173.09637	4.4
173.13289	12.3
175.03871	1.6
175.11176	5.0
175.14821	12.7
177.05495	11.2
177.09131	1.8
177.12688	2.1
179.07014	5.7
179.08569	4.9
180.09274	2.0
181.10133	6.5
181.12230	12.3
182.10921	3.8
183.11696	11.4
184.07330	1.6
184.12386	2.0
185.09575	3.1
185.13268	8.2
186.13872	1.6
187.11157	2.7
187.14784	5.9
189.05475	11.2
189.12689	6.9
191.07030	11.9
191.14256	2.7
193.08592	2.1
193.10170	4.8
193.12219	1.9
194.10890	4.1
195.11685	9.9
195.13550	2.0
196.12387	1.6
197.09605	2.1
197.13222	9.6
199.07562	1.4
199.11143	3.1
199.14838	6.4
201.12750	3.0
201.16383	2.7
203.07036	6.3
203.14317	18.7
206.10861	2.5
207.11650	4.5
207.13831	9.1
208.12354	2.6
209.09639	2.3
209.13213	7.3
209.15359	4.3
211.14798	6.0
213.12656	2.5
213.16287	2.2
215.06981	1.8
217.08516	8.5
220.12505	2.5
221.13409	5.2
221.15355	100.0
222.15723	3.1
223.11191	1.6
223.14781	5.6
225.12669	1.6
225.16364	4.3
227.10732	1.8
229.08578	5.8
231.11742	1.6
231.13770	1.6
233.13202	5.0
233.15315	2.0
234.13846	2.0
234.16136	1.5
235.14854	4.4
235.16949	1.8
236.15489	1.6
237.12706	2.0
237.16479	2.2
238.17076	1.3
239.14285	1.7
239.17912	2.6
241.08577	5.0
243.10112	6.5
247.14671	2.9
247.16963	4.1
251.17929	2.2
253.08578	2.0
255.10008	7.5
257.11707	5.0
259.14822	1.7
263.17923	2.3
265.19305	1.4
267.10236	5.0
269.11719	3.5
279.10159	4.3
279.17221	1.3
279.20795	1.4
281.11765	7.7
281.18988	1.7
283.13370	3.4
283.20602	1.6
285.18457	2.0
286.19205	4.9
287.20157	9.2
289.19528	1.6
293.11752	3.3
295.13281	4.3
295.20203	1.8
296.13669	1.4
297.14780	4.6
297.22250	1.6
299.20004	6.7
300.20773	5.4
301.21698	6.9
303.08566	10.2
305.11688	2.0
307.13217	6.1
309.14917	2.2
313.21616	3.1
315.15878	3.0
317.10144	2.2
319.13446	2.2
321.14807	3.6
323.16425	4.6
333.14841	3.3
335.16452	2.5
341.10239	3.6
341.17499	9.7
347.16339	2.6
349.17883	2.1
355.19006	5.4
367.18945	5.0
367.26456	7.1
369.20532	1.5
373.18094	2.3
381.13162	1.6
381.27838	1.8
387.19479	1.8
395.21832	1.9
407.21869	1.9
417.24234	1.8
421.23758	2.6
433.23572	1.8
435.25339	5.9
487.28519	3.5
492.21188	2.7
493.22180	13.1
494.22540	4.1
497.26462	1.6
513.29907	4.7
528.26703	1.4
555.27643	1.5
559.26801	2.8
573.28839	1.4
583.41180	2.2
703.43201	5.3
719.78741	1.5
721.44818	7.2
793.42981	3.3
855.47614	5.4
873.48511	38.3
874.48816	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	873.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	5.0
67.05504	28.2
68.99776	3.2
69.03425	11.1
69.07064	9.7
70.06580	2.1
77.03909	1.8
79.05072	1.8
79.05493	27.4
81.03423	2.0
81.07060	32.6
82.07390	1.5
83.01327	1.3
83.04973	8.5
83.08626	7.7
84.08143	6.7
85.06528	3.3
86.09692	3.6
87.04469	1.5
89.60706	1.1
91.05480	49.5
92.05830	1.6
93.07045	61.3
93.07641	2.9
95.04979	12.0
95.08607	34.6
97.02896	1.8
97.05521	1.5
97.06532	7.5
103.05492	5.8
105.03377	1.5
105.04522	3.3
105.07029	74.6
106.07364	3.7
107.04913	2.8
107.08593	33.9
109.02846	2.6
109.06529	8.0
109.10155	25.6
110.10411	1.3
111.04430	2.2
111.08092	2.8
115.05452	7.9
116.06298	2.4
117.07014	18.3
119.04947	8.0
119.08583	70.9
120.08900	2.3
121.06505	7.8
121.10140	43.6
123.04436	40.3
123.05331	2.1
123.08073	20.4
123.11721	7.6
124.08396	1.5
125.02369	2.8
125.05978	10.0
125.09608	1.4
128.06221	9.1
129.07025	15.2
130.07761	5.3
130.08638	10.8
131.08557	24.1
133.06447	4.0
133.10135	38.8
135.04399	3.7
135.08060	13.3
135.11702	11.6
137.05989	3.1
137.09618	13.2
139.03909	6.0
139.07526	1.5
139.11061	1.8
141.06992	6.9
142.07774	14.8
143.08562	25.6
144.09372	7.2
145.06508	2.8
145.10124	48.4
146.07184	1.8
146.10519	2.3
147.04407	20.9
147.08040	24.8
147.11679	16.5
148.08739	1.3
149.06032	1.8
149.09587	5.3
149.13252	2.2
151.02750	2.4
151.03906	37.0
151.07539	23.2
153.05452	12.0
153.06808	2.7
153.09100	2.5
154.07838	2.5
155.07648	1.0
155.08572	12.7
156.09348	11.8
157.10133	33.4
158.07285	2.3
158.10725	4.8
159.08047	4.3
159.11693	25.1
160.12138	2.8
161.05981	4.3
161.09604	6.2
161.13242	6.7
163.03928	5.8
163.07513	2.2
163.11183	15.3
165.05452	18.7
165.06946	4.1
165.09117	39.5
166.07825	1.9
166.09369	1.4
167.07135	2.7
167.08574	6.3
168.09340	4.9
169.08760	1.4
169.10133	18.8
170.10889	5.9
171.08011	3.0
171.11696	23.4
172.12227	2.7
173.05991	1.9
173.09608	4.5
173.13257	15.5
174.10274	1.6
175.03938	3.3
175.07558	2.2
175.11203	3.9
175.14833	12.3
175.35951	1.2
177.05453	15.9
177.09068	2.0
179.07040	4.5
179.08562	6.7
179.14464	1.4
180.09325	4.3
181.04851	2.2
181.10194	9.4
181.12231	22.6
182.10844	5.1
183.08095	2.9
183.11676	15.1
184.07317	2.0
184.12262	1.9
185.09587	4.3
185.13231	9.8
187.07249	1.3
187.11156	5.3
187.14853	12.7
189.05475	10.8
189.12735	7.1
191.07005	12.3
191.08525	2.7
191.10541	1.9
191.14302	3.4
192.09285	2.3
193.04956	1.7
193.10106	8.3
193.11807	1.6
194.10849	3.9
195.07938	1.6
195.11687	13.9
195.13644	2.6
196.12378	4.0
197.09663	2.7
197.13261	12.6
198.13957	2.0
199.07504	2.4
199.11171	3.6
199.14819	8.6
201.12674	3.1
201.16325	2.9
203.07027	6.2
203.14299	17.0
205.08409	1.7
205.10188	2.8
206.10909	4.8
207.06499	2.5
207.11691	7.3
207.13805	7.6
208.12450	3.5
209.09666	1.7
209.13231	12.1
209.15361	4.3
210.13901	2.8
211.07552	1.4
211.11160	3.1
211.14784	8.7
213.05582	1.5
213.09064	2.4
213.12798	3.2
215.07033	5.5
215.14229	1.7
217.08525	9.9
217.15816	2.2
219.11702	2.7
219.17380	1.7
220.12328	1.4
221.13272	9.1
221.15350	100.0
222.13857	1.8
222.15730	4.6
223.11188	4.3
223.14731	8.3
225.09023	2.6
225.12729	2.2
225.16393	4.4
227.07016	12.0
227.14192	2.0
227.18047	2.1
228.07640	1.8
229.08540	8.1
229.12164	1.7
231.11682	3.7
231.13788	2.2
232.12384	2.5
233.13171	4.1
233.15318	2.8
234.13921	2.5
234.16122	2.5
235.11147	2.1
235.14742	4.8
235.16862	2.4
236.15526	1.3
237.09123	1.8
237.12555	1.4
237.16348	4.1
239.07022	5.6
239.14214	1.6
239.17918	4.3
240.07805	1.8
241.08539	9.1
241.12198	1.6
241.15738	2.2
243.09979	7.2
244.12553	1.4
245.13217	3.3
246.13995	2.4
247.14696	3.0
247.17004	4.2
249.16319	4.5
251.10583	1.9
251.14398	1.4
251.17921	3.6
252.07689	1.3
253.08505	14.1
254.09116	3.1
255.10226	8.0
257.11777	4.2
259.14725	1.5
260.15399	1.7
261.16223	1.5
263.14307	1.3
263.17892	2.7
265.08624	2.1
265.12195	2.2
265.19537	3.4
267.10065	6.8
267.17438	1.2
269.11700	5.7
269.19110	2.2
271.17160	1.5
275.17773	1.9
277.12061	1.6
277.19403	3.0
278.09454	1.6
279.10178	6.8
279.17633	1.4
280.10635	1.9
281.11691	8.4
283.13354	8.0
283.20508	4.6
286.19138	5.0
287.20114	23.4
288.20541	5.6
289.19543	2.2
291.10129	2.5
293.11664	5.7
295.13287	4.6
295.20334	1.8
297.11179	1.5
297.14871	1.6
297.22095	1.9
299.20078	5.0
300.20715	5.1
301.14532	6.8
301.21750	8.0
303.08585	16.2
307.13107	4.2
309.14749	4.8
311.16428	1.5
313.21451	4.8
317.10477	1.5
319.13416	2.1
321.14780	3.2
323.16333	5.1
325.17975	2.2
325.21613	2.6
326.22006	1.6
327.15982	5.5
333.14883	3.5
335.16309	5.0
337.17871	4.4
341.10150	4.1
341.17377	6.2
345.14926	1.4
347.16376	3.4
349.17941	4.8
349.25241	2.7
352.23718	4.5
353.17456	9.5
353.24332	4.6
354.18021	1.6
355.19107	8.6
361.17798	1.6
367.11777	1.5
367.19037	5.8
367.26401	9.1
369.13513	1.4
373.17825	2.1
377.21069	2.1
379.26517	1.9
393.20279	1.6
395.22150	2.5
397.45447	1.5
401.21298	1.6
403.22327	1.4
403.30197	1.7
405.13028	2.7
407.14902	1.6
407.22238	3.0
417.24249	2.1
419.22159	3.2
421.23621	3.4
433.23849	2.6
435.18057	1.4
435.25281	2.7
452.83932	1.6
453.19135	7.8
461.19818	1.7
479.20798	6.5
480.20703	1.4
487.28366	3.2
489.22171	1.9
493.21985	7.5
505.22269	6.0
506.22623	2.3
507.23917	2.3
513.29633	5.2
519.23724	2.7
535.22577	1.5
559.26770	1.5
565.40570	1.4
583.41113	2.5
585.28687	1.4
615.29486	1.7
639.33411	2.9
665.34186	2.2
685.41998	2.9
703.43011	4.8
721.44684	9.3
780.41925	1.9
792.41187	2.8
793.42633	22.5
837.46747	2.2
855.47986	6.7
868.47064	1.3
873.33057	1.6
873.49091	32.0
874.48297	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	873.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.9
67.05508	16.5
67.85749	1.3
68.99776	2.6
69.03436	7.9
69.07066	8.9
69.27291	2.8
69.27689	9.3
70.06590	4.7
79.05495	21.7
80.06279	1.4
81.03439	2.0
81.07054	26.4
83.04984	5.1
83.08621	1.5
84.08133	4.5
85.06537	2.2
86.09703	3.3
87.68718	1.2
91.05478	36.5
93.06483	2.6
93.07044	37.2
95.04980	7.3
95.08608	22.2
97.02837	1.3
97.05552	1.8
97.06560	3.7
97.10184	1.2
98.20877	4.5
103.05451	2.5
105.04491	2.5
105.07030	56.5
107.04987	2.3
107.08598	27.3
109.06503	7.8
109.10154	13.5
109.10870	1.9
112.58102	1.4
115.05488	4.2
116.06277	3.1
116.07097	4.7
117.07032	10.5
119.04952	5.2
119.08586	58.1
121.06507	7.9
121.10155	27.4
123.04433	28.4
123.08081	15.9
123.11699	4.6
123.72051	1.3
125.06009	6.5
128.06215	5.1
129.07037	7.8
130.07787	3.7
130.08644	5.2
131.08562	17.3
133.06543	2.2
133.10126	32.5
134.10445	1.8
135.04399	1.8
135.08054	9.5
135.11699	8.6
137.05968	2.5
137.09586	12.4
138.09709	1.3
139.03931	4.5
139.11153	2.3
141.06989	5.2
142.07803	10.4
143.08569	21.0
144.09306	3.8
145.10123	37.3
147.04410	11.6
147.08044	21.0
147.11696	15.7
149.06013	2.8
149.09612	5.3
149.13229	2.6
151.03906	25.4
151.07547	19.5
153.05479	8.6
153.06813	1.3
154.07747	1.6
155.08553	12.3
156.09354	6.2
157.10123	21.3
158.10759	3.4
159.08076	2.2
159.11703	20.6
161.06020	3.4
161.09650	2.7
161.13277	5.3
163.03918	2.8
163.11166	10.3
165.05518	18.3
165.06920	2.7
165.09114	40.6
165.10527	2.0
166.09377	1.8
167.07054	1.9
167.08560	3.6
167.10669	1.8
168.09138	2.1
169.10088	12.4
170.10860	5.4
171.08044	1.9
171.11653	15.6
172.12447	1.8
173.09602	4.4
173.13266	12.5
175.03873	1.6
175.11192	3.0
175.14813	9.9
177.05505	14.1
177.09012	2.7
179.07162	2.4
179.08600	4.1
180.09242	1.7
181.10181	7.5
181.12230	12.6
182.10896	2.9
183.08116	1.6
183.11708	11.1
184.12347	1.9
185.09631	2.2
185.13210	10.6
187.11203	3.7
187.14818	6.8
189.05415	8.1
189.12766	4.6
189.16391	1.6
191.07047	11.2
191.10651	1.7
191.14372	1.8
193.10170	5.4
194.10860	2.8
195.11707	9.4
196.12434	2.7
197.13208	8.8
199.11186	2.6
199.14827	3.2
201.12692	1.7
201.16405	1.5
203.06990	5.8
203.14294	17.5
205.08540	2.1
206.10965	2.8
207.11678	6.0
207.13806	6.5
208.12396	1.5
208.79095	1.3
209.13251	8.8
209.15385	4.6
211.07623	1.7
211.11192	3.2
211.14841	7.5
213.12735	2.0
213.16356	3.3
215.07112	3.3
215.14384	2.1
217.08556	9.4
217.15898	1.7
219.11795	2.7
220.12440	2.0
221.13419	4.6
221.15358	100.0
222.13808	1.9
222.15762	4.4
223.14871	5.0
225.12843	2.2
225.16299	2.9
227.07062	2.3
229.08623	5.0
233.13213	2.5
234.16252	2.2
235.14828	3.5
235.16898	2.4
237.09242	1.8
237.16371	3.4
239.17917	1.9
241.08659	5.5
243.10219	5.3
247.14848	1.9
247.17073	2.1
249.16310	2.6
251.17966	2.7
253.08563	3.1
255.10245	5.9
255.17554	2.2
257.11700	2.4
259.14835	1.6
261.16296	2.7
263.17996	1.9
267.10135	4.3
268.10593	1.6
269.11554	3.2
269.19128	1.8
279.10193	2.2
279.20859	2.1
280.10681	1.5
281.11661	6.5
281.18967	1.9
283.13394	3.3
283.20602	3.6
285.07553	1.7
286.19275	4.5
287.20142	13.3
288.20444	1.7
293.11749	3.6
295.13278	3.4
297.14890	2.3
297.21912	2.7
299.20056	6.0
300.20776	9.3
301.21506	8.2
303.08612	10.3
305.11877	2.1
307.13297	4.7
309.14832	3.4
309.22192	1.6
313.21637	3.4
315.16028	2.2
317.10287	1.8
319.13260	2.3
321.14978	2.9
323.16367	4.9
325.21802	2.1
331.13327	2.3
333.15103	2.2
335.16415	2.9
337.18179	1.9
341.10596	2.0
341.17398	9.3
342.17957	3.7
347.16394	2.3
349.17999	3.0
353.17535	2.5
353.24561	2.0
355.18976	6.1
367.19019	5.0
367.26370	6.3
375.19855	2.0
378.10666	1.6
379.26416	2.0
380.26859	2.2
381.27499	1.8
407.22272	3.4
417.23886	2.2
419.21924	3.0
421.23550	1.9
435.25177	5.8
487.28220	2.6
491.34857	1.6
492.21289	2.8
493.22131	14.3
494.22702	6.7
495.28998	2.0
506.22614	1.6
513.29730	3.2
519.23901	2.2
559.27161	1.9
573.27899	1.7
583.41382	2.7
585.28381	2.3
639.33112	1.7
665.35272	2.4
685.42230	2.2
703.43146	5.9
721.44165	6.8
793.42365	4.6
855.48505	7.8
873.48993	34.9
874.47668	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	870.557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.2
65.03933	2.1
67.05506	55.5
69.03421	3.5
69.07072	15.0
70.89916	1.2
70.90262	2.3
71.04980	2.2
73.02907	1.0
79.05495	35.7
81.03423	3.8
81.07059	45.0
83.04972	4.7
83.08627	10.8
85.02907	1.7
85.06544	1.3
91.03898	1.2
91.05482	30.3
93.07047	47.2
95.04949	6.6
95.08609	39.2
97.02893	2.1
97.06538	10.8
97.10172	10.7
105.04549	1.3
105.07030	19.2
107.04977	2.2
107.08597	25.1
109.06513	9.5
109.10164	52.6
110.01987	1.1
111.08093	4.0
117.07021	9.9
119.08583	25.4
121.06514	3.2
121.10136	14.5
123.08075	23.7
123.08956	1.6
123.11709	3.9
125.09627	9.8
128.06250	2.7
129.07024	4.2
130.07759	1.4
131.08551	16.6
133.06496	2.6
133.10141	13.1
135.08063	8.7
135.11685	7.1
137.09625	15.4
143.08580	8.0
145.06496	3.2
145.10132	16.4
147.08064	5.1
147.11693	12.7
149.09642	6.4
149.13261	4.4
151.07538	5.9
151.11153	1.1
155.08600	4.7
157.10117	7.9
158.07253	1.3
159.08081	7.8
159.11685	5.4
161.09610	6.7
161.13275	3.9
163.11165	2.4
163.36314	1.1
165.09190	2.0
169.10172	5.2
171.08023	1.5
171.10275	1.3
171.11687	2.8
173.09631	43.1
173.13284	4.9
175.11215	5.1
175.14795	1.1
177.12779	1.3
183.11691	1.9
185.09636	2.7
185.13286	1.7
187.11121	2.0
187.14868	1.2
189.11267	3.6
191.10684	1.4
193.12274	1.5
197.13295	1.3
199.11079	1.6
199.14828	3.8
201.16411	1.6
209.13322	1.9
211.11148	1.6
211.14967	1.3
215.17982	4.3
217.15849	2.4
221.15401	3.0
225.16342	3.8
227.12654	6.4
233.18994	1.8
235.14816	2.0
235.16937	2.4
235.29813	1.2
239.16428	5.0
243.17415	7.1
245.15343	3.2
253.15872	6.2
261.18521	11.3
261.22052	5.5
263.16437	12.9
271.16922	18.0
272.87885	1.2
289.17996	19.6
307.19250	7.1
317.24844	1.7
335.22327	5.9
335.25793	98.9
336.26117	2.3
337.20038	5.7
345.20618	9.9
363.21643	22.7
381.22705	24.0
505.35129	3.0
527.37585	1.4
543.26447	1.2
595.43695	10.5
597.41772	7.8
605.42078	5.3
615.42627	8.9
623.43085	38.9
624.43329	2.9
641.44128	100.0
642.08691	1.1
642.44305	4.9
659.44983	3.9
728.95886	1.1
785.47333	2.0
803.48828	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	872.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.9
65.03935	3.4
67.05505	51.6
68.05822	0.7
69.03420	3.4
69.07072	8.9
70.06568	1.3
70.67813	1.2
71.04976	2.2
73.02902	1.4
77.03893	0.7
79.05493	28.7
81.03412	2.1
81.07059	38.1
83.04996	3.6
83.08614	3.8
85.02900	4.2
85.06532	2.0
91.03934	3.2
91.05482	86.2
93.03440	0.8
93.07047	32.1
93.07639	1.6
95.04967	5.2
95.08607	28.7
97.02878	3.2
97.06544	2.2
97.10165	2.0
99.04433	0.9
103.05463	1.1
105.04539	1.4
105.07031	42.9
107.04958	1.1
107.08593	18.7
109.06510	3.1
109.10158	12.4
111.04417	1.7
111.08057	1.6
115.05415	1.4
116.07046	0.9
117.07028	6.1
119.04942	0.8
119.08584	15.0
121.06486	0.9
121.10149	12.0
123.04439	3.6
123.08047	2.2
123.11698	4.5
127.03902	1.3
128.06229	3.3
129.07021	2.1
131.08565	10.8
133.10132	96.5
134.10445	1.0
135.08107	1.5
135.11708	9.9
137.06015	1.3
137.09624	1.6
137.13196	1.0
139.07574	1.0
139.11206	0.9
141.06952	1.3
142.07738	0.9
143.08540	8.6
144.09253	0.8
145.04967	1.1
145.10126	7.5
147.04417	0.8
147.08038	2.1
147.11671	4.4
149.09608	2.6
149.13243	3.2
151.03906	1.8
151.07541	1.6
151.11166	5.9
153.09116	1.3
155.08539	1.4
156.09329	0.8
157.10075	3.6
159.08087	2.0
159.11684	4.7
161.09618	12.8
161.13229	2.5
163.06139	0.9
163.11191	3.1
163.14857	2.0
163.65715	0.7
165.05525	0.9
165.09146	4.4
169.10115	1.5
171.11684	2.6
173.13243	4.3
175.11244	0.7
175.14806	2.1
177.05495	1.7
177.12819	0.9
179.07120	1.2
179.10684	2.3
181.10028	1.1
181.12257	2.2
183.11641	1.5
185.13303	1.8
187.11168	0.9
187.14767	1.9
189.05490	1.5
189.12717	1.2
191.07068	1.3
193.12169	0.8
194.10931	0.8
197.11729	2.5
197.13329	1.4
199.07610	1.1
199.14868	1.1
203.07085	1.9
203.14330	1.1
207.13829	1.2
209.13329	1.5
209.15372	1.0
211.11253	1.3
211.14977	1.0
219.11816	0.9
221.13354	1.6
221.15324	9.8
222.15643	0.9
223.14789	0.8
227.07072	3.5
237.12794	0.8
243.21083	2.7
247.16933	0.9
251.12805	2.7
253.14340	53.8
254.14729	1.7
255.10083	1.1
261.22202	7.3
267.10028	0.9
283.20605	0.8
287.20117	4.2
288.20511	0.8
299.20221	1.1
300.20911	1.6
307.13104	1.3
317.24768	3.2
325.21594	1.2
335.25806	100.0
336.26105	2.5
341.10114	0.9
341.17438	1.5
352.23880	2.2
353.17612	1.1
379.25998	1.1
421.30942	1.8
453.19806	0.9
482.27393	0.8
493.22220	3.4
495.35056	1.1
505.21970	1.2
513.35779	88.2
514.36224	4.0
531.36914	3.1
545.35657	0.9
587.26398	1.8
728.55762	0.9
792.41364	2.4
872.48218	2.4
873.47791	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	870.557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.2
65.03922	3.6
67.05505	65.5
69.03407	2.7
69.07067	18.3
69.14700	9.7
69.15107	2.2
71.04975	2.6
73.02897	1.9
79.05014	1.9
79.05491	47.6
81.03403	5.0
81.07055	54.6
83.04972	2.7
83.08617	12.9
85.02885	3.5
85.06538	3.1
91.04906	1.7
91.05484	37.4
93.07043	55.2
95.04950	8.1
95.08604	39.4
97.06529	11.9
97.10175	17.1
99.08069	1.3
105.04521	2.0
105.07031	27.2
107.04942	2.9
107.07879	2.2
107.08599	31.7
109.06518	9.9
109.10156	45.8
111.08059	4.0
115.05469	1.8
117.07023	10.4
118.98078	1.1
119.08582	30.6
120.55865	1.3
121.06489	4.3
121.10133	18.3
123.08065	34.4
123.11676	3.5
125.09631	16.1
128.06223	2.7
129.07022	8.9
131.08578	18.5
133.06483	3.8
133.10132	12.9
135.08076	7.9
135.11703	10.4
137.09615	21.8
141.06978	2.0
142.07750	1.4
143.08571	11.0
145.06483	4.2
145.10123	17.3
147.08034	8.5
147.11700	11.1
149.09659	5.8
149.13246	2.8
151.07556	6.3
151.11179	1.6
153.09053	2.2
155.08575	4.6
157.10115	10.1
159.08058	9.6
159.11673	10.1
161.09625	8.1
161.13258	4.1
163.07552	2.4
163.11194	3.9
163.14838	3.1
165.09094	3.2
165.12816	1.6
169.10095	4.6
171.08067	2.1
171.10150	2.3
171.11668	3.8
173.09624	59.7
173.13210	3.9
175.11159	4.7
175.14832	2.1
177.09163	2.6
177.12692	2.3
183.08055	1.4
183.11700	3.3
185.09570	4.2
187.11188	3.4
187.14761	1.7
189.11197	6.0
189.12726	1.9
189.16402	1.4
193.12225	2.4
193.16191	1.5
197.13176	2.1
199.14793	3.2
201.12767	1.8
209.13431	1.3
215.17982	5.1
217.15858	3.7
219.74019	1.1
221.15327	2.3
225.16418	4.0
227.12613	8.4
233.19017	2.3
235.14746	1.7
235.16917	2.9
239.16415	4.6
243.17506	9.7
243.21059	1.7
245.15469	6.8
253.15903	9.0
259.20667	1.5
261.18478	13.5
261.22089	5.4
263.16428	15.4
271.16934	25.7
279.19717	1.6
289.17978	28.9
307.19040	9.5
333.24344	1.4
335.22351	5.7
335.25787	100.0
336.26108	3.3
337.20032	4.6
345.20569	13.0
362.33282	1.2
363.17346	1.9
363.21634	24.3
364.21967	1.3
381.22672	32.0
382.22876	1.2
396.39105	1.2
427.60382	1.3
505.35132	2.5
527.36945	1.3
531.28284	1.5
531.37738	1.4
588.91949	1.3
595.43573	10.1
597.41589	9.4
605.41803	7.5
613.43506	2.1
615.42780	8.1
623.43036	56.6
624.42902	2.7
641.44135	94.6
642.43835	4.4
659.45166	5.9
756.70953	1.5
785.46973	2.0
803.48486	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	870.557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.2
65.03936	2.3
67.05505	64.4
69.03427	3.2
69.07068	16.2
70.08601	5.6
71.04996	2.5
79.05151	1.2
79.05493	46.2
81.03421	4.2
81.07057	52.4
83.04993	4.5
83.08614	12.9
85.02900	4.2
85.06557	2.1
87.04490	2.0
91.03976	1.5
91.05477	34.7
93.07045	54.4
95.04961	8.6
95.08610	40.0
97.02911	1.9
97.06528	11.8
97.10166	15.0
103.05450	1.6
105.07037	25.2
107.04967	3.7
107.08595	32.2
109.06538	8.5
109.10165	31.1
111.08087	3.8
115.05518	1.9
117.07024	11.5
119.08585	26.0
121.06514	5.0
121.10148	14.2
123.08071	26.5
123.11700	3.4
125.09621	9.9
128.06252	3.1
129.07002	6.6
131.08571	15.9
133.06491	3.3
133.10136	15.7
135.08060	7.6
135.11687	8.3
137.09604	12.3
139.07521	1.5
141.06989	2.6
143.08519	7.9
145.06523	2.4
145.10123	17.4
147.08049	8.5
147.11699	9.7
149.09622	5.4
149.13231	3.9
151.07529	7.7
151.11142	1.5
153.09134	2.2
155.08562	6.5
157.10136	7.9
158.07281	2.2
159.08075	9.0
159.11684	10.1
161.09589	8.9
161.13252	3.1
163.11205	2.8
165.09161	1.6
169.10117	3.5
171.08087	2.2
171.11708	4.4
173.09631	48.3
173.13271	4.1
175.11203	3.7
175.14757	2.3
177.09131	1.7
177.12653	1.7
183.11719	2.3
185.09618	3.0
185.13278	1.6
187.11211	3.4
187.14824	2.7
189.09409	1.2
189.11238	5.2
191.10701	1.8
193.12318	1.6
197.13289	1.8
199.14731	1.9
201.16557	1.8
211.11234	1.7
215.14322	1.3
215.17970	4.6
217.15871	2.3
221.15266	1.3
225.16403	4.0
227.12775	5.2
229.66075	1.4
235.16992	4.6
239.16496	3.1
243.17380	7.9
243.21141	1.8
245.15402	4.5
253.15907	6.7
259.20663	1.7
261.18552	10.0
261.22107	7.9
263.16431	16.1
271.16931	22.8
273.18451	1.5
279.19543	1.6
289.18039	24.8
296.58621	1.4
299.24359	1.4
307.19003	5.0
333.24335	1.7
335.22299	4.5
335.25787	100.0
336.26059	3.3
337.20090	4.0
345.20633	10.7
363.21564	25.1
363.25635	2.1
381.22726	23.4
461.46994	1.6
505.34900	1.7
595.43469	9.3
597.41675	10.5
605.42065	9.5
615.42407	6.1
623.43091	65.6
624.43384	3.4
634.54834	1.4
641.44141	72.4
642.44275	5.4
659.44989	3.1
785.48096	1.8
871.49243	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	869.488
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.7
67.05503	79.7
68.31522	3.3
69.03432	35.4
69.07061	17.2
69.99245	11.0
70.06596	6.1
71.01340	3.7
71.04984	11.1
73.02960	3.5
79.05499	71.2
81.03422	78.2
81.07057	72.4
83.04982	38.3
83.08620	10.1
84.08148	3.9
85.02910	12.5
85.06564	5.8
86.09721	8.4
91.05476	66.7
93.07048	77.0
95.04964	11.7
95.08614	47.4
97.02916	19.7
97.06524	6.8
99.04468	13.8
101.48261	4.0
103.03936	6.0
105.07022	49.8
107.04983	5.6
107.08576	30.9
109.02853	6.4
109.06518	8.8
109.10165	14.0
111.04450	8.0
111.08097	4.4
117.07028	12.7
119.08583	35.9
121.10143	56.7
123.04460	4.4
123.08110	6.4
127.03918	15.6
129.05458	28.6
129.06993	13.4
131.08557	40.9
133.10129	37.3
135.08020	7.2
135.11702	12.9
137.09596	4.5
141.07010	5.9
142.07768	5.7
143.08551	4.8
145.10075	18.9
147.08003	5.3
147.11708	37.0
149.09639	35.8
149.13255	8.0
157.10095	22.0
159.11694	11.3
161.13332	3.2
163.11200	11.4
169.09921	3.5
173.04469	82.1
173.13190	5.9
174.78598	3.4
175.06023	22.2
175.11150	23.9
177.12778	4.1
186.20485	3.8
187.14772	4.0
191.10693	3.6
193.12276	11.9
236.73439	3.5
252.96356	3.4
267.15924	14.2
273.18695	3.8
273.22134	4.2
289.18289	4.0
291.19586	7.9
335.25809	100.0
336.26114	5.5
411.20233	18.8
527.37311	60.0
528.37598	5.8
545.38489	30.6
671.41217	19.3
689.42291	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	867.7578
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.8
67.05506	33.2
69.03422	1.0
69.07067	32.1
71.04993	0.7
71.08611	2.1
77.03927	0.9
79.05490	20.6
81.07057	65.8
82.07388	0.7
83.05004	1.6
83.08154	1.4
83.08620	20.2
85.06537	3.5
85.10167	1.4
86.09700	1.8
91.05478	17.1
93.07047	46.7
95.04958	2.1
95.08608	100.0
96.08928	2.2
97.06527	3.2
97.10164	9.8
99.08102	0.9
105.04544	1.5
105.07032	29.2
107.08596	64.2
108.08946	1.4
109.06528	2.2
109.10158	84.9
110.10518	1.3
111.08089	6.6
111.11733	4.0
113.09689	3.8
117.07027	3.2
119.08585	40.4
121.10144	61.4
122.10473	1.0
123.08070	6.0
123.11708	46.6
124.12018	1.1
124.99973	0.8
125.09620	2.0
125.13342	1.4
127.11203	2.6
129.06990	1.6
130.07704	0.7
131.08528	8.8
133.09123	1.2
133.10135	34.7
135.08051	3.0
135.11694	50.7
136.12012	1.0
137.09627	2.7
137.12192	1.6
137.13258	31.0
138.13585	0.9
139.11198	1.5
143.08525	1.5
145.10135	14.9
147.11688	35.1
148.11993	1.0
149.09621	3.1
149.13255	26.9
150.13576	1.0
151.11185	2.9
151.14813	11.6
153.12750	1.6
157.10126	3.9
158.10870	1.2
159.11694	19.8
161.13260	39.0
162.13638	1.1
163.11232	3.2
163.14827	20.8
163.16118	1.4
165.12737	3.5
165.16393	3.1
167.10681	1.0
171.11731	3.3
173.13257	13.4
175.14828	14.1
177.12796	2.7
177.16383	12.7
179.14326	8.7
179.17964	5.2
181.12253	1.5
183.11789	1.4
184.07370	3.9
185.13292	4.0
186.14034	0.8
187.14809	15.0
189.16385	18.7
191.14211	3.5
191.17957	17.8
193.15929	4.2
193.19569	4.3
195.13853	1.2
197.13374	1.0
197.15408	0.8
199.14828	4.1
201.16359	8.7
203.17979	18.9
205.15897	5.7
205.19511	7.0
207.17453	5.0
209.13541	1.1
209.15428	2.2
213.16365	4.8
215.17955	16.0
217.16095	1.0
217.19507	15.8
219.17502	2.2
219.21103	5.1
221.19101	2.0
223.16895	2.0
227.17931	5.2
229.19524	11.4
231.17630	1.2
231.21091	3.4
233.19067	6.2
233.22720	1.5
235.20546	0.9
237.18605	1.2
241.19524	4.2
243.17294	0.8
243.21132	2.8
245.19090	3.1
245.22600	1.8
247.20551	5.5
247.24318	1.1
255.21083	8.3
257.22778	1.8
259.20657	2.7
259.24188	1.1
261.25970	1.6
269.22690	2.9
271.24191	2.9
273.22128	4.0
273.25446	1.5
275.23514	0.8
281.22757	0.8
283.24231	6.8
285.25729	2.4
287.23709	2.5
297.25912	4.4
299.23785	1.7
299.27219	1.7
301.25253	5.0
311.27286	1.0
313.25372	1.7
315.26700	4.6
323.27197	1.1
325.28934	14.6
333.27972	1.0
339.30481	1.4
341.28427	5.3
341.31882	1.4
343.29950	27.3
344.30362	1.9
351.30658	1.0
355.30142	2.1
357.31546	1.8
359.29523	2.2
361.30972	2.2
369.31622	1.3
407.36716	5.8
425.37778	25.0
426.38165	2.1
491.42535	1.4
493.44098	1.7
503.42484	1.0
505.44235	1.0
507.45502	1.4
533.47412	6.5
535.48529	1.4
588.11902	0.9
641.56500	1.3
642.55267	1.0
767.66730	1.8
831.73468	3.8
835.47327	1.3
849.74829	16.4
850.75031	5.8
867.60492	1.2
867.76056	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	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.1
67.05511	1.6
68.99786	8.1
70.41975	0.7
70.62449	2.2
77.03949	1.0
81.03413	3.4
83.04996	0.7
84.33112	0.7
88.52739	0.8
89.03915	2.5
91.05496	1.4
93.03400	2.8
95.04974	1.5
99.04462	1.3
103.97781	0.7
105.03397	1.1
107.04963	5.0
109.02903	3.7
111.00800	7.3
111.04440	6.1
115.05462	1.1
117.03320	1.4
119.04938	2.2
121.02844	1.1
123.04430	61.9
127.03918	100.0
129.06970	0.8
131.04936	2.7
135.04413	53.8
137.02327	4.4
137.06046	1.2
139.03902	48.8
141.06976	0.9
143.04944	1.1
147.04401	6.8
149.02321	6.1
149.05971	2.7
151.03909	15.9
159.04427	3.3
161.05984	4.2
163.03899	59.1
164.04250	0.8
164.36989	0.7
165.01749	1.1
165.05478	4.6
167.03384	5.6
169.04953	2.2
169.06322	1.4
173.06000	4.3
175.03952	2.5
177.01952	1.1
177.05508	5.2
179.03381	7.7
181.04962	1.8
181.06439	1.5
183.04431	2.5
185.05945	1.7
187.03883	10.4
189.05450	3.5
190.02663	0.8
191.03360	10.6
193.04930	2.0
197.06009	4.2
199.07532	0.9
201.05493	9.5
203.03391	10.1
203.07034	2.8
205.04961	3.9
207.06541	1.9
213.05528	2.5
215.03392	3.1
215.06970	3.8
217.04999	3.0
219.06575	2.1
220.03717	1.0
225.05478	3.0
229.04987	10.9
231.02866	1.2
231.06534	2.4
233.04466	5.2
237.05392	1.4
241.04909	2.6
243.02861	1.1
243.06459	7.3
245.04454	52.7
246.04785	1.6
247.06024	53.1
251.05388	1.2
253.04929	1.9
255.06563	2.3
257.04440	16.2
258.05023	1.4
259.06000	11.6
261.07660	2.8
263.05496	1.2
265.04968	2.3
267.06659	1.1
269.04401	5.3
271.06015	25.0
273.07565	1.2
274.04672	1.9
275.05493	22.2
281.04495	2.5
283.06009	15.0
285.03836	0.9
287.05463	21.4
289.07059	27.9
291.08649	17.4
295.06128	1.7
297.04077	1.9
297.07401	1.1
299.05533	5.9
301.07074	14.8
303.05090	1.1
303.08569	2.9
307.05829	1.1
309.03723	1.5
311.05426	1.7
313.07095	2.6
321.07446	1.0
323.05444	3.5
324.52942	0.8
331.08157	1.7
351.04993	3.8
361.06940	1.2
363.08633	0.9
365.06662	1.8
375.04581	1.0
377.06549	2.0
379.08038	2.5
381.09415	1.0
383.07507	2.6
389.06448	2.0
391.08176	3.2
393.05927	5.1
395.07718	2.2
397.09003	6.5
405.06055	4.0
407.07602	19.4
409.09167	30.5
410.10150	1.0
411.10770	4.0
417.05945	1.0
419.07507	2.6
421.08890	4.3
425.08704	9.3
427.10278	15.7
433.09119	2.9
435.11401	1.0
437.08694	7.4
439.10229	2.4
449.08630	2.5
451.10184	3.0
453.11887	1.8
517.11169	3.0
527.09406	4.9
529.10657	1.0
535.12115	1.7
541.11017	1.8
545.11047	6.4
557.10724	0.9
559.12250	1.2
571.12085	1.8
577.13220	0.9
579.14612	4.2
679.13678	1.9
697.14783	3.3
825.06171	1.0
826.78064	1.0
855.48621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65554	0.8
65.03931	4.2
67.01867	1.6
67.05491	1.7
67.11203	0.9
67.37306	0.9
68.99783	10.4
69.03418	1.0
70.06595	1.5
71.48731	1.0
77.03922	2.0
81.03425	4.6
83.04971	3.3
85.02926	2.6
89.03907	2.9
93.03394	3.1
95.04964	2.3
97.02891	1.4
99.04462	1.1
99.10385	1.0
103.05504	1.2
105.03378	2.3
107.04952	5.5
109.02869	3.4
109.94904	1.0
111.00806	8.7
111.04438	12.5
115.05447	1.2
117.03359	2.6
119.04945	3.8
121.02840	2.7
123.04428	82.6
127.03920	100.0
129.06989	1.1
131.04927	4.0
135.04414	81.5
136.04726	1.2
137.02353	6.2
137.03267	1.5
139.03903	66.7
143.04893	1.5
145.06476	2.0
147.04381	10.8
149.02315	7.1
149.05946	3.5
151.03905	18.2
151.05118	1.2
152.04407	1.0
155.04901	2.9
157.06534	2.5
159.04401	5.0
159.82143	0.9
161.05997	4.1
163.03906	70.5
164.04384	1.8
165.05473	4.2
165.06856	1.8
167.03392	6.3
169.04961	5.3
169.06509	3.0
173.05975	5.5
175.03906	5.0
175.11932	3.2
177.05528	7.4
179.03375	9.4
181.04996	1.5
181.06502	1.6
183.04433	2.6
185.05984	2.2
187.03841	6.2
189.05473	4.3
191.03398	11.3
193.04982	3.1
197.05960	5.4
201.02634	1.0
201.05487	11.1
203.03406	12.2
203.07103	2.5
205.04951	4.0
207.06578	1.9
209.25436	1.1
211.03909	1.4
213.05521	3.9
215.03416	3.0
215.07089	4.3
217.04924	3.0
219.06535	1.5
223.02318	2.2
225.05484	2.9
227.07037	1.6
229.04962	13.8
231.06477	2.6
233.04471	6.0
237.05603	2.1
241.04990	3.9
243.02899	1.9
243.06566	5.3
245.04456	57.5
246.04887	1.9
247.06024	55.9
248.06572	2.2
249.05531	1.8
253.04945	3.5
255.06517	3.2
257.04449	22.4
258.05215	1.8
259.06036	12.3
261.07584	4.0
263.05463	1.3
267.06512	2.0
269.04388	6.8
270.05060	1.2
271.06009	31.8
273.07635	2.9
274.04633	1.2
275.05493	16.1
281.04343	2.9
283.05942	13.1
285.04062	2.0
285.07571	2.0
287.05499	21.6
289.07083	37.0
290.07434	1.5
291.05707	1.5
291.08630	17.3
295.06030	3.7
297.07666	1.3
299.05444	6.9
301.03790	0.7
301.07053	18.4
303.08560	2.9
309.04056	1.4
309.07730	1.3
311.05441	3.9
313.07053	5.6
315.05060	1.2
317.07959	1.1
323.05420	2.1
327.05029	1.0
329.06509	1.5
331.08084	3.1
333.07730	1.1
341.06631	2.2
345.07828	1.3
351.05042	3.2
361.07095	2.5
365.06476	2.2
367.08395	1.3
377.06439	2.0
379.08197	5.3
383.07748	1.5
389.06647	2.2
391.08163	3.3
393.06030	3.7
395.07571	2.1
397.09149	4.4
405.06076	3.2
407.07605	19.4
409.09183	31.0
411.10657	5.1
419.07529	6.6
421.09161	4.4
423.10657	1.6
425.08621	13.5
427.10352	17.1
431.07971	1.6
433.09399	7.0
435.11093	1.2
437.08484	5.2
439.10120	2.7
449.08566	4.0
451.10229	10.2
453.11899	2.0
469.11237	1.4
517.11188	2.1
527.09637	2.8
535.12177	1.8
541.11121	2.6
545.10675	4.8
557.11029	1.3
559.11920	2.6
571.12280	4.1
577.13373	3.3
579.14850	4.1
589.12836	1.5
679.14081	1.7
697.15350	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	866.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	25.3
68.07578	2.9
69.03406	4.5
69.07092	6.0
70.06596	10.8
71.01354	2.7
71.04979	5.9
71.50101	4.0
72.08148	2.8
79.05495	26.4
81.03405	20.6
81.07059	23.7
83.04980	5.7
83.08604	12.8
84.08147	8.8
85.02926	5.4
86.09694	9.2
88.80691	3.0
89.06042	3.6
91.05482	23.3
93.07045	32.5
95.01323	7.2
95.04982	15.5
95.08607	32.5
97.02897	9.2
97.06529	4.8
97.10175	7.0
99.04469	3.7
105.04523	3.3
105.07011	15.7
107.04916	14.6
107.08621	22.2
109.02912	6.0
109.06509	6.9
109.10146	11.4
111.04502	2.9
117.07004	7.8
119.04974	4.7
119.08566	12.0
120.08149	4.0
121.06503	9.4
121.10114	13.5
123.04457	6.3
125.06035	3.5
125.09586	3.2
127.03911	5.6
129.07011	7.2
131.04951	4.3
131.08539	5.9
133.06509	4.2
133.10115	6.6
135.04456	6.8
135.08022	4.4
135.11685	38.5
137.05939	3.8
139.07588	2.7
143.08527	5.0
145.02846	4.8
145.06476	4.3
145.10135	23.6
147.04419	13.8
147.11690	6.3
151.03925	13.0
153.12775	2.7
157.06500	3.9
157.10077	4.9
157.38118	2.6
159.11707	3.8
163.03902	7.9
163.11194	49.4
169.04935	4.9
169.06616	3.5
172.13460	2.9
175.03973	13.0
177.05515	4.5
179.03441	3.2
181.04915	2.9
181.12286	7.0
184.07333	5.3
187.11160	3.1
193.12245	7.4
205.12225	3.6
207.06586	5.9
211.13272	6.1
215.10738	3.5
217.12270	5.6
227.12738	52.3
233.11905	3.5
239.12370	3.3
243.10188	3.2
244.97684	3.1
259.13358	5.0
267.15817	5.4
269.11658	5.8
283.15387	64.1
287.12756	16.0
289.14545	4.3
297.10947	4.4
299.14871	5.2
315.12228	7.0
332.55984	2.6
333.13409	8.1
333.42191	2.9
336.20114	3.2
389.15958	6.4
407.16980	33.1
423.16446	10.6
425.18097	15.7
427.19412	4.7
443.19125	7.3
579.10425	3.5
615.27966	100.0
616.27832	5.9
633.29028	34.3
651.30066	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	864.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.0
69.07084	1.0
70.94538	1.4
71.08636	40.5
73.02915	1.5
73.06555	5.6
81.07101	0.8
83.08603	0.8
85.09663	1.2
85.10188	32.8
87.04474	18.6
89.06035	100.0
90.06417	0.6
91.07584	0.9
97.10186	1.8
99.11738	4.7
103.07586	6.9
107.07057	1.0
113.06022	2.1
113.13284	1.6
117.09151	4.7
124.99999	0.9
130.08656	2.2
131.07043	6.8
133.08612	72.0
134.08907	0.8
155.17931	3.0
161.11740	1.7
175.09648	4.9
177.09669	1.4
177.11232	27.3
184.07361	1.9
198.79291	0.7
213.22221	2.9
219.12379	1.9
221.13823	5.4
239.14963	0.8
254.49489	0.6
257.24704	3.8
265.16492	2.0
270.78470	0.6
283.17554	1.4
309.19107	0.9
353.21573	1.0
393.02982	0.7
635.38525	2.8
717.17786	0.6
718.05695	0.7
779.44666	1.0
847.59625	0.7
864.48151	3.6
864.64264	3.1
865.48364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.6254
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20349	0.7
69.03416	0.6
69.07062	2.4
71.04990	0.9
71.08634	85.7
71.50489	1.2
72.08987	0.9
73.02901	1.9
73.06563	3.0
81.07064	1.8
83.08620	2.4
85.02895	0.9
85.10184	81.8
87.04470	20.5
89.06033	100.0
93.07047	1.6
95.08637	0.9
96.53534	0.7
97.10177	1.9
99.11736	9.8
101.06060	0.8
101.09679	2.0
103.07568	1.3
105.98537	0.8
107.07063	1.7
113.05992	1.2
117.09128	7.4
119.08559	0.8
124.99993	0.8
129.09143	1.3
130.08641	2.2
131.07051	8.4
133.08607	73.2
141.16394	9.3
161.11720	1.3
175.09634	5.6
177.11238	28.2
184.07430	2.7
199.20570	16.5
219.12366	1.8
221.13814	4.8
223.15305	1.3
252.96297	0.7
257.24829	6.3
263.14825	1.0
265.16605	1.9
283.17566	1.0
309.19125	1.3
313.27426	2.4
327.20111	1.2
353.21741	1.6
371.22806	0.8
397.24554	1.0
437.27216	0.8
503.30463	1.0
505.39243	1.3
547.33215	1.2
591.36005	4.9
779.45850	1.5
855.64923	0.8
864.48108	1.6
864.62653	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	864.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	11.3
65.03939	1.0
67.05504	50.8
69.03434	6.8
69.07069	13.0
69.29688	6.6
71.04980	0.8
71.08628	1.0
73.02913	3.0
79.05494	35.6
81.03407	2.2
81.07056	46.1
83.04968	4.5
83.08619	25.8
83.09122	1.1
85.02908	12.4
85.06536	2.6
86.09715	0.9
89.06045	1.1
90.04697	0.8
91.03948	6.8
91.05476	14.9
93.07040	35.2
95.04980	1.9
95.08610	27.4
97.02898	7.3
97.06517	2.1
97.10166	60.2
98.10502	0.9
101.09681	1.4
105.07037	9.6
105.45317	0.8
107.08595	31.4
108.08924	1.0
109.06528	0.8
109.10149	15.6
111.08055	3.1
117.07002	5.2
119.08572	9.4
121.10143	14.1
123.08060	1.1
123.11727	4.1
125.09628	57.0
127.03905	3.2
131.08560	6.7
133.10117	6.6
135.08051	6.3
135.11691	10.4
137.13255	2.0
143.10672	2.4
145.04941	3.0
145.10114	5.2
147.11673	4.9
149.13231	7.0
151.11211	1.2
153.09102	3.3
157.10181	1.1
159.11655	4.3
161.13280	3.3
163.05995	3.3
163.14838	3.1
163.45634	0.7
171.10185	4.9
173.13252	3.7
175.14766	2.0
177.16298	1.2
184.07330	1.4
187.14810	1.2
189.11205	37.0
190.11516	1.1
190.42943	0.7
201.16444	0.9
205.37146	0.8
213.18430	2.5
214.20967	0.8
227.12778	68.9
233.22713	1.3
243.21118	5.4
245.13843	100.0
246.14117	2.1
261.22125	29.2
274.77454	0.7
279.23151	3.4
317.24713	4.9
335.25790	89.0
336.26093	2.3
431.31714	1.3
487.34250	9.3
505.35217	84.0
506.35437	2.4
523.36249	6.7
588.70166	0.9
723.42712	2.6
864.50836	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	864.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	0.8
61.02927	9.9
65.03932	2.8
66.71204	0.8
67.05505	46.3
69.03424	6.4
69.07066	10.0
71.04984	2.6
71.49877	1.3
73.02917	3.2
76.36700	0.7
79.05491	30.6
80.09259	0.8
81.03403	3.4
81.07056	39.9
82.79565	0.8
83.04966	4.3
83.08616	24.9
85.02905	11.7
85.06531	1.6
86.09702	1.0
89.06049	0.8
91.03963	7.8
91.04912	0.9
91.05476	15.3
93.07043	28.1
94.07362	1.5
95.04964	2.8
95.08605	26.0
97.02917	6.5
97.06509	1.6
97.10168	54.5
99.04481	1.6
101.09637	1.6
105.07044	8.9
107.04948	2.0
107.08592	29.6
109.02874	1.0
109.06557	2.2
109.10161	14.6
111.08119	1.8
115.05479	0.9
117.07011	5.5
119.08569	7.0
120.08864	0.8
121.06503	1.2
121.10155	11.9
123.08015	1.0
123.11733	4.6
124.99947	1.0
125.09628	52.9
127.03909	3.0
129.06949	1.2
131.08568	7.4
133.10153	6.5
135.08041	5.7
135.11690	7.3
139.09442	0.8
143.08575	0.9
143.10736	1.8
145.04973	2.8
145.10106	5.8
147.11655	4.0
149.13235	6.5
151.03870	1.2
153.09103	4.6
159.11650	4.2
161.13264	3.4
163.03868	1.1
163.05975	4.1
163.11192	0.9
163.14809	3.2
171.10139	4.9
171.11478	0.8
173.13286	3.4
177.16364	1.8
183.11813	0.9
184.07295	2.3
187.14847	1.6
189.11217	36.5
201.16341	1.2
227.12781	66.3
243.21101	6.0
245.13844	100.0
246.14180	1.7
261.22134	23.4
279.23187	2.8
317.24768	3.2
335.25793	67.2
336.26111	3.6
351.14441	1.3
353.26889	1.8
427.91272	1.0
431.31503	2.3
487.34094	9.3
505.35208	41.3
506.35220	1.9
523.36432	5.1
529.38806	1.6
669.39276	1.4
705.42102	1.6
723.41571	1.6
749.83203	0.8
806.40668	0.9
864.50189	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	859.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.7
67.05507	6.2
69.03424	2.4
69.07077	2.8
70.06593	2.1
71.05007	0.7
71.49696	0.8
71.97440	0.6
73.02922	3.2
77.81456	0.5
77.97797	0.6
79.05502	4.2
81.03421	2.7
81.07046	6.1
83.04989	1.3
83.08630	1.3
85.02888	3.0
86.09714	0.8
91.03971	2.2
91.05479	3.9
93.07030	4.1
95.04966	1.8
95.08614	3.2
95.31814	0.6
97.02895	3.3
97.06532	0.9
97.10167	1.9
97.78785	0.6
99.04488	0.6
101.02402	1.0
105.07028	3.2
107.04915	0.7
107.08609	1.9
109.10192	1.7
116.07118	1.7
117.07038	1.2
119.04928	0.6
119.08607	2.5
121.10164	1.7
123.04435	1.1
125.00013	0.7
125.09656	1.0
128.28880	0.6
131.08601	1.4
133.10143	1.5
135.11719	1.4
137.09663	0.6
145.10130	1.4
184.07399	2.1
185.04250	0.6
203.05249	0.7
209.62338	0.6
223.13289	1.0
243.08299	3.5
291.19568	1.1
311.39148	0.7
331.18832	0.9
333.20541	1.4
335.26068	0.8
439.19119	0.8
453.21039	1.6
549.26642	5.1
551.28265	6.1
761.41156	1.7
841.47443	1.2
850.20642	0.6
859.48083	100.0
860.48322	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	859.481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.0
65.03949	0.4
66.50477	0.4
67.05503	5.8
69.03425	3.2
69.07059	2.5
70.06593	0.6
71.01337	0.6
71.04992	0.6
71.49604	0.5
73.02911	2.7
79.05493	4.8
81.03422	1.2
81.07064	6.0
82.07389	0.4
83.05000	1.2
83.08622	1.0
85.02901	3.2
85.22077	0.4
90.34608	0.4
91.03976	1.6
91.05481	5.0
93.07051	4.5
95.04987	0.9
95.08601	2.6
97.02885	2.9
97.10207	0.6
98.20916	0.4
99.04493	0.6
101.02374	1.0
105.07023	3.3
107.04993	0.6
107.08591	2.7
109.02911	0.7
109.10184	1.4
115.03938	0.5
117.07031	0.9
119.08562	2.4
121.10168	2.1
125.09625	0.8
127.03952	0.7
129.07082	0.7
131.08559	1.0
133.10172	2.1
135.11699	1.2
145.10164	0.9
147.11765	0.6
149.09669	0.6
149.13191	0.4
159.11765	0.5
163.11244	0.8
184.07339	0.9
185.04282	0.8
223.13409	0.8
241.14519	0.8
243.08350	3.1
261.22211	0.6
291.19815	0.9
313.09351	0.6
331.18945	0.9
333.20438	1.2
335.25937	1.1
336.26135	0.6
387.21732	0.5
389.23001	0.6
439.19644	1.2
453.21021	0.7
501.36090	1.3
549.26697	5.7
551.28229	5.1
552.28851	0.5
761.41217	0.6
859.48059	100.0
860.48236	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	859.4805
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02927	3.3
65.03925	0.6
67.05501	6.0
69.03427	2.6
69.07076	2.9
70.84149	0.8
71.04987	1.0
72.94587	0.4
73.02926	2.7
79.05492	5.3
81.03417	2.9
81.07051	6.3
83.04977	1.0
83.08618	1.5
85.02905	3.8
86.09754	0.4
91.03974	2.3
91.05483	5.2
93.07043	3.8
95.04971	1.2
95.08605	2.8
96.37196	0.4
97.02901	3.4
97.06518	0.7
97.10173	1.2
99.04477	0.8
101.02386	1.6
105.07020	2.6
105.95494	0.3
106.65984	0.4
107.08572	2.2
109.02898	1.1
109.06522	0.6
109.10160	1.7
110.72124	0.4
116.07142	0.4
117.07032	0.7
119.08588	1.9
121.06545	0.7
121.10152	1.4
123.08067	0.7
125.09647	0.7
127.03950	1.0
127.67396	0.3
129.07021	0.7
131.08559	1.1
133.10144	2.5
135.08040	0.7
135.11702	1.1
143.08562	0.4
145.10149	1.2
147.08105	0.5
147.11662	0.5
149.09651	0.4
151.11227	0.4
159.11699	0.7
162.21112	0.4
171.11647	0.5
184.07307	0.8
185.04321	0.5
198.00421	0.5
223.13348	0.8
243.08414	3.3
267.83334	0.4
291.19388	0.9
331.18860	1.3
333.20453	1.7
335.25909	0.8
387.21359	0.9
389.22623	0.4
439.19589	1.1
453.21024	1.1
501.36060	0.5
549.26831	5.9
551.28192	5.9
697.42889	0.5
727.63397	0.5
761.41425	0.5
859.48047	100.0
860.48297	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	858.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.5
68.05017	0.7
68.99806	0.6
69.03429	0.9
69.07069	2.4
69.41760	0.4
70.06592	100.0
71.01384	0.5
71.06936	0.7
71.09010	0.9
72.08150	0.5
74.06068	0.5
76.99416	0.4
81.03426	1.0
82.82547	0.4
84.04483	0.8
84.08150	1.6
85.02912	2.5
85.04036	0.6
86.09705	10.6
91.05504	0.8
95.01347	1.4
97.02913	0.5
101.03512	1.3
109.02911	1.1
113.07124	0.7
114.09237	0.6
120.08125	0.7
123.04494	0.4
125.07137	1.5
127.03908	0.7
129.10274	0.8
132.10233	0.6
136.07623	0.7
137.05975	0.8
141.06570	3.6
141.10237	1.8
143.11848	0.4
147.04434	1.3
149.02132	0.4
157.09718	3.3
169.09761	0.7
171.93925	0.5
177.05492	0.5
178.07919	0.4
179.08604	0.4
181.06482	0.6
183.04437	0.4
183.15004	2.2
187.10880	1.5
191.08539	0.6
193.06578	0.5
197.09293	0.8
202.07814	0.9
203.08517	0.7
205.06586	0.9
206.07428	0.7
207.08102	3.7
209.12823	1.1
211.07599	0.8
215.08669	1.2
217.06680	0.7
218.07368	1.1
219.08127	2.8
221.05991	3.6
221.09680	0.9
222.09085	0.5
223.07680	1.9
229.15468	43.6
230.15851	1.0
231.08098	1.9
233.06137	0.5
233.09628	1.3
234.06772	1.5
234.09099	1.0
235.07541	8.8
237.05457	2.1
242.07265	0.7
243.08081	1.0
245.09648	2.2
246.06749	0.6
247.07549	9.2
249.05440	0.8
249.09303	0.8
251.07097	0.5
255.08133	1.6
256.08673	0.4
257.09677	0.8
259.07480	2.6
260.07733	0.5
261.05536	1.8
261.09119	2.3
262.06430	0.4
262.08810	1.5
263.06949	3.8
265.08691	0.7
266.15051	3.0
271.07599	3.7
272.08279	0.8
273.05820	0.8
273.09177	5.5
274.06284	1.6
275.07104	2.7
276.06735	0.6
277.08658	0.7
278.08224	3.1
280.09897	2.2
283.07703	0.8
284.07803	0.5
285.06024	0.8
285.09106	1.4
287.07022	3.3
288.07523	0.7
289.08533	3.9
290.08179	1.3
291.06729	2.2
291.09811	0.6
293.08276	1.8
294.14441	3.8
298.06302	1.2
299.07111	1.5
300.07428	0.7
300.10529	0.6
301.08524	4.9
302.05542	0.7
302.08585	0.5
303.06436	5.2
303.09811	0.6
304.06464	0.8
304.09845	1.3
305.08115	4.8
307.06079	0.6
308.09219	0.9
310.08829	0.5
311.07135	1.4
313.08429	0.6
315.06381	2.5
316.07224	1.3
316.10205	0.8
317.08017	4.2
319.06140	0.8
319.09674	1.9
321.07437	2.5
326.08264	0.7
327.06412	5.5
328.10135	2.0
329.08026	6.5
330.07867	0.6
330.11642	0.5
331.06128	0.8
331.09750	1.8
333.07599	1.3
334.10583	0.6
335.09167	5.3
336.08716	0.9
342.07657	0.8
344.09140	4.7
345.07529	15.5
346.11227	2.7
346.14621	1.0
347.09161	3.6
348.09021	2.0
350.10248	0.6
356.09317	1.5
357.07507	8.9
358.10419	0.6
359.09250	1.4
362.10440	1.0
363.08801	0.5
365.10178	0.7
368.11447	1.3
372.08588	14.0
374.10193	3.3
375.08664	6.4
378.09650	0.5
379.23431	2.2
380.11444	1.1
390.09735	15.7
391.09503	0.6
391.16595	2.9
392.11334	2.6
393.09634	1.6
398.12381	2.3
400.08237	0.9
402.09695	3.6
403.08084	0.7
407.23117	1.0
408.10696	6.7
410.12531	1.0
417.14587	0.7
420.10791	10.6
425.24115	1.2
428.13556	0.8
438.11850	6.9
439.12109	0.5
442.17096	0.7
443.15546	0.4
456.12967	1.6
457.17490	1.1
462.16821	1.3
473.17236	1.0
483.15656	0.5
485.16971	5.4
487.14587	2.2
505.16159	1.2
512.18384	1.3
513.16547	12.0
514.16943	0.5
517.16357	0.9
528.17554	3.1
530.19427	1.4
531.17944	0.5
532.21033	1.3
535.17230	0.8
546.18774	0.9
548.20197	0.9
553.18091	4.9
558.18738	7.1
571.19067	1.4
576.19733	16.4
577.20081	1.0
594.21198	1.3
602.25415	0.7
612.22040	2.6
618.24274	2.6
630.23407	3.8
636.25360	0.9
643.24652	0.7
648.25378	2.2
663.27014	0.6
666.26526	5.3
673.24963	2.2
684.27545	16.5
685.27643	0.6
691.26648	0.6
709.27124	1.0
727.28168	0.6
756.32886	0.6
774.33191	0.9
786.33142	2.0
804.34930	3.9
822.35651	3.1
840.36285	5.8
858.37799	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	857.4649
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02940	2.4
65.03908	0.4
67.05504	6.2
69.03440	3.1
69.07067	3.0
70.06595	0.7
70.56455	1.2
71.01348	0.4
71.04995	0.6
71.08630	0.4
73.02911	2.2
79.05496	4.8
81.03416	2.5
81.07058	5.2
83.04988	0.9
83.08627	1.3
84.08161	0.7
85.02910	2.8
85.06577	0.6
86.09710	0.7
87.04479	0.4
91.03972	1.6
91.05487	4.2
93.07040	3.9
93.51402	0.4
95.04971	1.3
95.08598	2.1
97.02892	3.9
97.06531	0.8
97.10181	1.5
99.04485	0.7
101.02402	0.9
105.07030	4.1
106.07408	0.4
107.04975	1.2
107.08601	2.9
109.02912	0.7
109.06545	0.7
109.10139	2.9
111.08072	0.5
116.07094	0.6
117.07056	1.0
119.08595	1.5
121.06526	0.5
121.10159	1.4
123.04415	0.9
123.08050	0.8
125.09654	1.7
127.03911	0.7
129.07016	0.5
130.08676	0.6
131.08640	1.2
133.10130	3.8
135.08072	0.6
135.11676	0.8
145.10127	0.8
147.04440	0.5
147.08122	0.5
147.11755	0.6
149.09503	0.5
149.13232	0.7
151.11224	0.9
157.10202	0.6
159.11624	0.5
171.11766	0.5
173.13289	0.4
184.07399	0.7
185.04272	0.5
185.83458	0.3
196.04576	0.3
223.13330	1.5
243.08360	3.8
260.03723	0.4
291.19775	1.6
301.17651	0.4
331.18753	1.9
335.25906	1.4
336.26407	0.8
369.15268	0.4
387.21664	0.4
395.59464	0.4
447.66718	0.4
549.26782	11.5
550.27753	0.4
621.28540	0.6
624.43994	0.5
642.44025	0.6
836.93036	0.4
857.46558	100.0
858.46954	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	857.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.8
67.05513	6.2
68.05830	0.7
69.03426	3.9
69.07064	4.8
69.21957	4.4
70.06589	0.8
71.05010	0.9
73.02930	3.0
79.05500	5.4
81.03435	2.3
81.07051	4.6
83.05002	0.5
83.08627	1.5
84.08151	0.5
85.02907	2.8
91.03974	1.6
91.05480	4.4
93.07047	4.1
95.04993	1.6
95.08614	2.5
97.02887	4.1
97.06521	0.6
97.10153	2.7
98.21483	0.9
101.02380	1.1
105.07037	3.3
107.04923	0.8
107.08591	4.0
109.02902	0.7
109.06535	0.8
109.10172	2.8
111.08128	0.6
115.05442	0.6
116.07097	1.2
117.06974	0.9
119.08572	3.5
121.10155	1.7
123.04409	0.6
123.08057	0.6
125.09673	2.1
127.03918	0.5
129.07068	1.3
130.08612	0.6
131.08611	2.1
133.10153	2.0
135.08061	0.9
135.11696	1.2
139.03854	0.4
143.08588	1.0
145.10175	1.9
147.08075	0.5
147.11705	1.1
149.09610	0.6
149.13274	0.6
157.10155	0.8
159.08015	0.5
159.11728	1.3
161.09700	0.6
169.10060	0.6
171.11790	0.6
173.13365	0.6
175.14960	0.5
183.11676	0.8
184.07420	0.9
185.04329	0.6
202.75714	0.5
223.13376	1.9
243.08371	3.9
253.14497	0.6
255.10294	0.5
289.36008	0.5
291.19473	2.8
301.08823	0.7
331.18945	2.0
335.25894	1.3
336.26367	0.9
383.17087	0.5
387.21661	0.7
469.51498	0.5
506.22662	0.7
515.37677	1.1
549.26782	11.8
609.53174	0.6
609.63281	0.5
621.29169	0.8
623.12354	0.5
642.44098	0.8
857.46558	100.0
858.46869	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	857.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.2
67.05508	7.6
69.03437	2.4
69.07062	3.6
69.92098	0.5
70.06600	0.9
70.64115	0.5
71.04971	1.0
71.50481	1.0
73.02920	2.2
79.05491	5.3
81.03428	2.0
81.07073	4.7
83.04996	1.3
83.08625	2.1
84.08155	0.8
85.02898	2.8
91.03967	2.2
91.05488	5.6
93.07030	6.0
95.04982	1.5
95.08607	3.1
97.02890	3.8
97.06580	0.8
97.10172	1.7
99.04489	0.7
101.02408	1.4
105.07028	4.2
107.04959	0.7
107.08594	3.4
109.02906	0.6
109.06518	0.6
109.10162	2.9
117.07021	0.9
119.08599	3.4
121.10192	1.6
123.04398	0.6
123.11763	0.6
125.09650	1.2
129.07019	1.3
130.08638	1.0
131.08630	1.6
133.10126	4.4
135.08072	0.9
135.11690	0.9
143.08592	1.0
145.10179	1.7
147.08067	0.6
147.11751	1.5
149.13263	0.7
151.11182	0.8
153.05559	0.7
157.06532	0.6
157.10237	0.9
159.11771	1.1
162.44806	0.6
184.07393	1.6
223.13269	0.7
243.08313	2.8
255.09805	0.7
288.47485	0.5
289.18155	0.8
291.19635	1.6
313.09070	1.1
331.18863	2.5
335.25906	2.6
336.26392	1.4
451.19666	0.8
498.39612	0.8
549.26672	10.6
557.91882	0.8
624.43164	1.0
642.44275	1.5
857.46558	100.0
858.46704	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20935	1.5
63.91769	1.8
64.43944	1.7
67.05138	3.6
67.05505	66.2
69.03426	3.6
69.07073	15.4
69.49984	11.7
70.06590	3.8
71.04995	3.9
73.02906	1.5
79.05020	1.8
79.05491	43.2
81.03417	68.8
81.07056	59.9
81.07536	2.8
83.04971	6.4
83.08624	23.5
85.02937	1.9
85.06532	3.2
89.06010	2.0
91.05477	34.5
93.06483	3.3
93.07042	43.6
95.04974	21.9
95.08603	43.6
97.02901	2.9
97.06532	4.3
97.10149	6.0
98.21491	3.3
105.04513	2.2
105.07028	28.1
107.04956	6.1
107.08586	27.1
109.06482	7.4
109.10150	22.6
111.04449	2.8
111.08080	6.1
115.05438	2.3
116.07091	3.8
117.07018	7.8
119.08580	21.7
121.06503	3.9
121.10139	25.9
123.08077	4.4
123.11706	7.9
125.09651	5.9
129.07014	11.6
131.08585	17.3
133.06490	2.7
133.10123	13.0
135.08060	3.1
135.11708	14.1
137.09630	3.2
140.02565	1.7
142.07765	1.8
143.08565	3.9
143.86020	1.5
145.10153	9.4
147.08029	3.1
147.11682	12.8
149.09607	4.8
149.13225	7.9
157.10091	8.4
159.11726	9.3
161.09616	1.6
161.13280	7.3
163.11180	2.5
163.14825	2.6
171.11777	3.1
173.13249	6.9
175.11201	7.9
175.14848	2.8
184.07332	2.2
185.13269	1.9
187.14697	2.5
187.39375	1.7
189.11279	3.2
191.10942	1.8
193.12251	20.9
223.13292	1.8
227.12715	8.0
229.14293	4.3
235.13239	2.9
243.21172	5.2
249.14946	2.5
261.22189	22.1
267.15915	86.2
275.20251	2.1
299.23492	2.3
301.14325	1.8
301.25320	5.4
309.16956	1.7
317.24756	2.6
321.24112	2.0
335.25797	100.0
349.23737	3.2
358.47983	1.7
435.27139	3.2
435.32712	4.8
453.33459	5.5
471.34552	4.5
527.37384	51.7
528.37427	2.5
529.38983	5.8
545.38324	34.3
569.41620	3.3
609.43488	2.1
627.42474	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.9
65.03926	2.8
66.82964	2.0
67.05505	72.7
69.03421	4.8
69.07069	16.8
70.06606	11.2
70.98796	1.9
71.04980	5.7
71.50656	2.6
79.05492	51.2
81.03419	69.4
81.06593	4.7
81.07053	70.2
83.04963	7.3
83.08620	24.6
85.02887	3.6
85.06548	2.4
86.09700	3.1
88.54833	2.1
90.96717	2.0
91.05482	39.4
93.07045	51.2
95.04954	25.3
95.08606	47.3
97.02903	3.3
97.06538	4.6
97.10162	6.9
105.04456	2.8
105.07035	29.0
107.04947	8.4
107.08594	27.8
109.06517	6.8
109.10162	26.9
111.04452	2.4
111.08073	7.0
116.07092	9.6
117.07023	9.7
119.08586	26.0
121.06524	5.0
121.10141	27.9
123.04408	3.2
123.08061	3.5
123.11718	6.1
125.09670	4.7
129.07011	8.1
131.08582	19.7
133.06514	3.4
133.10159	10.4
135.11691	16.9
137.09520	2.5
142.07744	2.9
143.08556	3.8
145.10092	10.1
147.08092	2.4
147.11694	12.7
149.09634	6.4
149.13269	9.0
157.10152	11.4
159.11659	6.1
161.13277	5.2
163.11185	2.6
171.11703	3.1
173.09668	2.5
173.13266	5.0
175.11154	7.2
184.07370	4.7
185.13260	3.1
187.14862	2.8
189.11217	4.1
193.12234	15.6
227.12766	6.8
229.14391	8.9
243.21178	4.9
249.14807	3.3
261.19284	3.6
261.22131	20.4
267.15924	80.0
269.17419	3.2
275.19907	3.3
301.25269	3.6
317.24811	4.3
335.25800	100.0
337.87155	2.1
349.23801	3.8
435.32495	4.4
453.33630	6.1
471.35168	2.4
489.35565	7.7
527.37341	49.4
528.37268	3.5
529.38757	6.0
545.38348	30.7
609.44757	4.2
680.99591	2.7
856.46808	8.0
857.46820	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.2
65.03936	8.1
67.05508	87.2
69.03419	6.7
69.07075	25.9
70.06589	7.5
71.04996	4.7
79.05495	59.8
81.03420	14.0
81.07058	94.0
83.04986	18.4
83.08624	15.1
84.08150	21.3
85.02927	4.1
85.06561	7.2
86.09701	3.9
89.06022	3.3
91.05484	85.1
93.06489	4.5
93.07048	70.6
95.04976	17.6
95.08610	40.5
96.45706	2.1
97.02894	3.3
97.06532	13.8
97.10194	4.2
100.95850	2.3
103.05469	3.3
105.04503	3.9
105.07034	63.3
105.66511	2.5
107.04948	10.2
107.08594	46.6
109.02856	4.1
109.06514	13.2
109.09466	4.6
109.10163	52.0
110.01641	2.3
111.04470	2.9
111.08089	4.6
113.06004	3.6
116.07049	3.9
117.07020	18.7
119.04861	2.6
119.08582	32.2
121.06492	12.7
121.10148	19.1
123.04428	4.3
123.08080	5.7
123.11701	10.2
125.09642	3.2
127.07576	2.7
128.06239	4.3
129.07008	9.2
130.08665	25.1
131.08556	24.3
133.06490	5.8
133.10136	80.0
135.08052	11.9
135.11711	11.9
137.09593	6.8
143.08540	8.8
145.10133	18.1
147.08020	5.2
147.11694	12.0
149.09621	14.5
149.13295	7.9
151.11185	29.9
155.08504	2.8
157.10092	8.6
159.11708	10.7
161.09636	8.5
161.13271	3.7
163.11153	9.3
163.25052	2.4
169.10069	4.1
169.12337	4.0
171.11696	8.8
173.13266	3.7
175.11169	7.0
177.09158	2.2
177.12712	3.5
179.10733	3.8
183.11655	4.2
184.07341	6.2
186.91310	2.3
191.10623	2.7
193.12270	3.5
195.11755	2.5
195.13736	5.9
211.14847	3.1
215.12738	6.1
224.13622	2.5
245.19090	5.6
253.14346	100.0
255.15843	7.5
257.18930	5.9
263.20087	3.9
269.17447	24.5
271.15363	5.1
273.18478	22.3
275.20084	23.4
287.16223	2.9
291.19653	27.5
292.19821	4.6
331.22415	2.7
335.25705	4.2
347.22168	8.8
349.23801	16.0
365.23306	30.8
367.24762	6.1
447.27823	4.4
451.26920	3.1
452.52750	2.4
465.28714	12.4
496.60080	2.8
541.35370	5.2
545.34833	19.9
559.36377	41.0
639.42358	9.4
657.42834	8.8
739.58301	2.7
854.46783	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.5
65.03945	4.2
67.05505	52.1
69.03429	12.0
69.07068	35.4
70.06596	1.8
71.05018	4.2
72.93839	0.9
73.02914	1.7
77.03926	1.4
79.05493	42.3
81.03417	11.4
81.07056	55.8
83.04987	10.4
83.08622	12.6
84.08131	3.2
85.02905	3.2
85.06530	2.0
86.09694	1.0
91.05482	42.6
93.07043	44.6
95.01289	1.0
95.04965	13.4
95.08609	24.0
97.02891	10.1
97.06532	10.5
97.10168	12.3
99.08092	1.7
103.05501	2.0
104.46000	0.9
105.04502	2.0
105.07035	36.2
107.04964	10.1
107.07881	1.7
107.08598	27.9
109.02853	1.3
109.06525	5.2
109.10156	16.1
111.04449	1.3
111.08075	4.8
111.34322	0.9
115.05443	3.0
116.07037	0.8
117.07028	14.1
119.04940	1.7
119.08583	23.6
120.78421	0.8
121.06498	6.4
121.10156	13.3
123.04446	1.3
123.08093	4.7
123.11688	3.2
125.09643	9.2
127.03923	2.3
127.07542	1.3
128.06216	2.8
129.06999	6.8
130.07794	1.6
130.08630	6.1
131.08559	16.0
133.06494	4.2
133.10135	23.3
134.07275	1.3
135.08066	7.3
135.11717	9.2
136.82820	0.8
137.09631	3.3
139.11192	1.2
141.07001	2.3
142.07732	1.4
143.08566	5.7
145.06532	2.1
145.10121	11.2
147.08060	5.9
147.11697	8.2
149.09615	9.6
149.13266	8.9
151.11151	6.4
153.09084	1.5
153.12701	0.9
155.08533	2.7
157.10120	5.4
159.08092	1.8
159.11694	8.9
161.09599	5.1
161.13239	1.9
162.10509	1.4
163.11185	6.2
165.09076	2.0
168.09267	0.9
169.10072	1.8
169.12184	1.3
171.10315	1.2
171.11694	3.7
173.04448	2.0
173.09650	1.9
173.13280	2.8
175.11214	2.4
175.14751	1.3
177.12761	3.6
179.14336	1.1
181.12242	1.3
183.11690	2.3
184.07364	0.9
185.09695	1.1
185.13246	2.5
187.11061	1.3
187.14862	1.2
189.11217	3.5
189.12737	1.5
195.11855	1.3
195.13805	4.4
197.13194	2.4
199.11172	1.2
201.12611	1.0
205.12221	2.3
211.13187	1.0
215.12589	1.0
215.14404	1.2
223.13284	15.2
227.12691	7.8
227.17889	1.3
229.14218	1.2
239.17851	2.1
240.95164	0.9
245.18930	1.9
247.20587	1.3
249.14824	2.7
251.16571	1.3
253.14328	12.1
255.15538	5.1
257.19016	3.8
263.20151	1.0
267.15952	1.8
269.17511	23.2
273.15863	1.5
273.18533	17.7
275.20044	17.7
282.49249	1.0
291.19543	100.0
292.19861	2.9
293.21323	1.1
309.20480	1.8
331.22916	1.4
347.22214	5.1
349.23703	11.9
365.23248	40.1
366.23514	1.1
367.24753	1.5
413.21893	1.1
439.27075	1.5
453.27908	0.9
461.28802	1.1
465.28311	1.1
519.33228	1.0
527.33972	1.3
541.34741	2.9
545.34705	15.5
559.36279	60.1
560.36432	3.5
611.43011	1.4
639.34094	1.0
639.42786	11.6
657.42993	3.8
838.61615	1.0
854.45825	6.6
855.42664	1.3
855.57068	1.9
872.19031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02960	1.3
65.03946	4.1
65.08243	1.1
67.05505	61.7
67.99079	1.1
69.03425	16.3
69.07068	47.1
69.14986	13.1
70.06600	2.2
71.05010	6.0
71.08607	1.4
79.05493	56.7
81.03418	11.5
81.07056	66.8
83.04973	10.2
83.08615	14.2
84.08132	2.9
85.02927	5.0
85.06578	3.8
86.09756	1.6
91.05478	49.2
93.07043	50.0
93.94445	1.1
95.01362	1.5
95.04978	14.9
95.08610	28.1
97.02882	11.7
97.06544	13.0
97.10171	17.1
99.04470	2.1
101.02470	1.4
103.05466	2.3
105.04559	2.2
105.07032	39.6
107.04957	17.0
107.08594	36.8
107.09299	2.0
109.06513	6.5
109.10164	17.9
111.04500	1.6
111.08098	3.8
113.06033	1.6
115.05470	2.7
116.06277	2.1
117.07008	15.9
119.04951	3.1
119.08582	27.8
119.09377	2.0
121.06508	6.5
121.10134	12.0
123.08039	6.5
123.11687	5.9
125.09618	12.7
127.04000	1.8
128.06242	2.9
129.07001	8.0
130.07835	1.7
130.08693	3.7
131.08563	22.1
133.06540	5.3
133.10135	27.2
134.07285	1.6
135.08078	8.7
135.11697	11.7
137.09651	3.7
141.07030	2.5
143.08560	7.9
145.06532	1.4
145.10133	16.5
147.08067	7.1
147.11670	8.9
149.09599	10.8
149.13246	7.9
151.11217	5.7
155.08556	2.4
157.10139	6.2
159.08099	2.0
159.11702	11.0
161.09647	4.9
161.13271	3.3
163.11143	7.1
165.09146	3.4
169.10150	3.0
169.12300	2.8
171.10393	1.7
171.11751	4.6
173.13310	4.0
175.11220	2.6
177.12799	4.9
179.10677	1.8
179.14285	1.9
181.10143	1.5
181.12218	1.9
183.11644	2.9
184.07368	1.5
185.09749	1.6
187.11130	1.4
187.14926	1.7
189.11273	5.5
193.12308	2.0
195.13837	4.3
197.13297	1.9
205.12192	1.8
211.13248	1.5
213.16531	1.7
223.13281	21.1
223.84265	1.5
227.12744	9.5
239.18129	2.3
245.18985	2.4
249.14880	3.5
253.14302	11.6
255.15689	5.8
257.19006	6.0
262.15625	1.4
267.15906	2.6
269.17468	18.7
273.18494	19.2
273.21277	1.7
275.20074	23.3
275.22873	2.1
291.19543	100.0
292.19894	2.6
293.21234	1.7
347.22159	3.2
349.23697	17.7
365.23230	44.4
366.23434	1.5
367.24719	2.2
423.23886	2.6
527.33478	2.0
541.35236	3.5
545.34760	15.1
559.36316	49.3
560.36414	2.0
599.39539	1.4
621.41260	3.2
639.42572	24.1
640.41541	1.7
657.43512	5.0
703.40741	1.5
854.45135	1.9
855.44220	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	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.0
67.05504	20.0
68.57181	0.6
69.03394	2.0
69.07075	10.3
70.06595	1.2
71.04995	3.0
71.49471	1.0
73.02901	1.4
79.03249	0.6
79.05091	0.8
79.05495	13.9
81.03387	2.2
81.07057	68.3
83.04972	5.3
83.08619	7.5
84.08159	0.8
85.02908	6.8
85.06547	4.3
86.09710	0.8
87.11297	0.7
90.24026	0.6
91.03967	3.7
91.05484	20.5
93.07047	11.0
95.04935	2.6
95.08607	15.2
97.02863	2.4
97.06525	5.3
97.10143	1.4
99.08115	3.6
101.06003	1.4
105.07034	29.8
107.08597	12.0
109.02906	0.7
109.06528	4.6
109.10165	1.4
111.04441	0.8
111.08112	1.4
112.94285	0.6
113.05974	2.0
117.06982	0.9
119.07726	0.7
119.08585	25.2
121.10149	17.9
123.08053	4.4
123.11709	26.7
127.03853	0.8
127.07570	3.0
129.06989	1.1
131.08557	1.2
133.10141	3.1
137.09673	0.8
137.13234	2.4
141.09097	1.2
142.07773	0.8
142.96736	0.7
145.04932	1.3
145.10133	1.4
147.04407	0.7
147.11693	71.8
148.11925	1.3
149.09579	0.9
157.10118	2.2
163.05971	0.9
165.12753	29.5
165.14148	1.4
174.24712	0.7
175.11174	2.6
177.05545	0.9
183.13797	3.0
193.12257	1.6
208.17493	0.8
208.81729	0.6
211.13187	0.8
229.14374	6.6
267.15924	74.2
268.16153	1.6
285.16971	98.5
286.17285	1.9
367.22244	0.7
449.28940	0.9
459.27209	0.9
477.28510	16.2
495.29556	100.0
496.29706	4.2
680.43250	0.8
873.30988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.9
65.03917	0.9
67.05506	28.8
69.03413	0.8
69.07068	10.0
69.24045	2.7
69.24471	3.2
71.01325	2.3
71.04969	2.2
71.05621	0.5
71.08633	14.2
73.02888	2.0
79.05495	21.2
81.03417	3.4
81.07056	16.9
83.04993	5.9
83.08630	9.0
84.08107	1.1
85.02443	0.7
85.02903	7.9
85.06499	1.8
85.10182	7.5
89.05991	0.9
91.03497	0.5
91.03963	4.4
91.05489	9.2
92.05822	0.8
93.07047	27.3
95.04950	1.7
95.08611	13.6
97.02918	4.2
97.06532	7.8
97.10166	9.6
98.20792	1.1
99.04442	1.3
105.07034	3.6
107.04935	0.9
107.07895	1.2
107.08601	20.2
109.06451	0.9
109.10160	7.8
110.95940	0.6
111.08070	1.1
111.11747	1.0
117.06996	2.6
119.08606	3.5
121.06483	0.8
121.10163	3.9
123.11707	2.7
125.09600	0.9
125.49445	0.6
127.03887	2.5
130.08629	1.6
131.08591	0.6
133.10124	5.5
134.10461	1.0
135.08076	1.3
135.11693	35.9
137.09595	0.7
145.04945	1.7
145.09184	0.7
145.10124	6.2
153.12730	2.4
163.06033	2.1
163.11174	4.7
181.12219	8.4
199.13260	0.9
222.07529	0.5
227.12843	0.9
239.23842	0.8
253.14471	1.5
254.14621	1.3
255.15923	100.0
256.16284	2.6
257.24814	1.4
313.27374	44.3
314.27765	2.6
335.25833	1.3
361.83051	0.7
374.50519	0.7
491.37595	1.0
492.37637	1.6
493.38910	80.4
494.39157	4.5
505.35092	1.0
609.45367	0.8
853.57935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63025	1.6
65.03941	3.4
67.05504	65.2
67.77016	1.3
67.82930	1.7
69.03436	9.0
69.07069	24.5
70.96216	2.6
71.04978	4.6
79.05493	48.9
81.03419	9.8
81.07054	68.7
83.04982	16.2
83.08611	10.7
85.02927	2.4
85.06544	6.1
86.80503	1.6
91.05478	69.5
93.07040	47.7
95.04977	13.1
95.08610	25.0
95.99254	1.7
97.02879	2.7
97.06538	6.7
97.10166	5.5
103.05453	3.9
105.04488	2.5
105.07027	53.6
107.04974	11.5
107.08594	40.3
108.08849	1.8
109.02875	2.1
109.06530	9.7
109.10152	47.5
111.08119	3.3
115.05476	2.6
117.07002	11.5
117.98036	1.5
119.08582	19.9
121.06506	13.3
121.10136	10.9
123.04482	2.6
123.08073	7.4
123.11691	8.0
125.09608	4.7
127.07549	2.3
128.06276	2.9
129.07014	7.5
131.08575	22.7
133.06493	9.4
133.10129	70.3
135.08063	15.4
135.11682	9.0
137.09627	4.0
143.08513	7.7
145.06552	2.5
145.10078	11.8
147.08031	7.3
147.11659	8.8
149.09627	10.2
151.11172	37.3
155.08578	2.3
157.10132	6.4
159.08054	3.7
159.11671	4.7
160.25423	1.6
161.09627	10.8
161.13271	2.0
163.07530	1.8
163.11194	4.3
165.09081	1.9
169.10101	2.3
169.12216	4.0
171.11693	5.5
173.09740	2.8
173.13280	2.2
175.11163	5.1
177.09140	3.6
177.12756	1.7
179.10686	2.4
184.07359	3.5
185.09656	1.9
189.12779	2.7
195.13794	2.4
197.11652	2.1
199.11115	2.2
205.12270	3.1
212.25429	1.5
213.12720	1.9
215.12759	4.8
223.13292	4.8
237.16350	2.5
245.19054	6.2
249.14830	2.6
251.12735	2.7
253.14345	100.0
254.14595	2.4
255.17447	4.6
263.20120	4.6
271.15308	3.7
273.18494	53.9
289.17844	1.9
291.19537	72.5
294.74850	1.5
309.20673	4.2
310.20172	1.9
316.44128	1.6
316.67511	1.7
329.20972	2.0
335.26086	1.9
347.22168	17.6
365.23199	39.4
366.24081	2.0
449.25293	9.3
525.32166	1.9
543.32922	7.7
561.34229	14.7
637.40808	8.2
655.42072	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	852.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.8
67.05505	43.4
69.03432	9.8
69.07069	24.1
70.06595	0.8
71.05002	4.0
75.52679	0.8
79.05496	33.9
81.03423	7.6
81.07057	45.2
81.79060	0.7
83.04984	8.9
83.08617	9.0
85.02930	1.7
85.06535	3.2
86.09679	0.9
91.05484	41.4
93.07047	33.7
95.04976	12.2
95.08607	16.0
97.02892	6.6
97.06530	5.0
97.10170	8.8
99.08112	0.9
103.05474	1.5
105.04476	0.9
105.07034	33.7
107.04953	10.7
107.07878	1.6
107.08598	26.5
109.02876	1.2
109.06527	5.7
109.10161	27.9
111.04437	3.1
111.08095	3.6
113.05997	0.8
115.05483	1.9
116.06215	0.9
117.07021	10.0
119.04984	1.6
119.08585	15.8
120.05746	1.3
121.06519	8.4
121.10141	8.3
123.04382	1.2
123.08085	5.8
123.11705	5.4
125.09639	6.4
127.07554	1.2
128.06192	2.3
129.07001	5.0
131.08551	14.6
133.06516	5.5
133.10132	36.6
134.07303	0.9
135.08078	9.0
135.11696	3.8
137.09602	2.1
138.64214	0.9
142.07701	1.2
143.08551	7.2
143.47771	0.8
145.06560	1.4
145.10135	8.3
147.08061	9.0
147.11699	6.0
149.05949	0.7
149.09621	5.5
149.13286	1.4
150.74019	0.8
151.11188	18.3
153.09073	1.1
155.08507	1.7
157.10155	4.6
159.08029	2.0
159.11700	4.5
161.09628	7.2
161.13287	1.3
163.07460	0.9
163.11180	2.8
165.09135	2.7
169.10126	0.9
169.12219	3.3
171.10341	1.0
171.11700	3.5
173.09604	1.1
173.13252	1.6
175.11253	4.4
177.09146	1.9
177.12820	1.2
179.10649	1.5
184.07397	1.2
185.09528	1.0
185.13278	1.8
187.11143	0.8
189.11185	3.1
189.12740	1.8
193.12268	1.7
195.13852	1.4
197.50343	0.7
199.14844	1.1
201.12881	0.9
205.12212	1.4
209.54224	0.8
211.13246	1.2
215.12788	3.2
221.15250	0.9
223.13312	13.1
227.12701	4.0
227.17979	1.9
237.16350	0.8
245.19043	4.5
249.14746	2.6
251.12790	2.9
253.14362	58.1
255.17418	3.2
263.20081	4.0
267.15851	1.8
269.13718	1.0
269.18170	0.7
273.18491	36.3
274.19046	1.0
275.20105	1.5
283.15555	1.2
291.19550	100.0
292.19913	1.1
309.20679	2.2
347.22162	10.3
349.23935	1.1
365.23242	48.1
366.23639	1.2
543.33282	4.9
559.32196	1.4
561.34265	14.9
573.34412	1.1
575.35986	1.1
637.40991	11.1
655.42090	32.5
656.42163	1.6
673.42786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.1
67.05503	20.3
69.03087	0.6
69.03428	7.7
69.07068	23.5
70.05398	0.7
70.05796	1.1
70.06590	0.4
71.04981	1.4
73.34319	0.4
76.87580	0.4
79.05489	18.3
79.57162	0.4
80.05795	0.4
81.03416	4.5
81.07055	16.6
82.09910	0.4
83.04984	3.2
83.08621	6.7
85.02877	0.9
85.06524	0.5
91.05476	13.2
93.06486	0.9
93.07043	13.1
93.07641	0.7
95.01310	0.6
95.04970	6.0
95.08600	8.7
97.02888	8.8
97.06531	2.1
97.10165	11.2
103.05431	0.8
105.04548	0.7
105.07030	11.3
107.04953	6.3
107.07881	0.8
107.08592	9.5
109.02869	0.8
109.06499	1.4
109.10158	5.9
111.04440	1.0
111.08065	1.5
115.05475	0.9
116.06247	0.5
117.07016	5.7
119.04948	2.3
119.08581	9.0
120.05695	0.6
121.06516	2.9
121.10132	4.2
123.04438	0.8
123.08067	2.4
125.09628	7.4
128.06232	1.1
129.07028	2.4
130.07809	1.1
131.08572	6.7
131.95116	0.4
133.06485	2.9
133.10132	3.9
134.07278	1.2
135.08063	3.4
135.11681	1.8
137.05965	0.5
137.09592	2.0
142.07773	0.7
143.08525	2.4
145.06459	0.9
145.10114	3.7
147.08044	4.3
147.11678	2.6
149.09622	2.0
149.13243	2.1
151.11118	0.8
153.09088	1.0
153.12709	0.5
157.10132	2.4
159.08025	0.8
159.11684	2.2
161.09686	2.6
162.10345	0.8
163.11192	1.9
165.09108	2.0
169.10136	0.5
169.12180	0.5
171.10165	0.7
171.11574	0.9
173.11760	0.7
175.11220	2.6
177.12756	1.4
179.10698	0.4
183.11642	0.5
184.07344	1.5
185.13223	0.5
187.11208	0.7
189.11200	4.1
189.12617	0.7
193.12216	1.0
195.13730	1.4
199.11295	0.5
205.12247	2.8
211.13316	0.9
213.12868	0.5
223.13286	16.7
227.12752	5.3
240.64818	0.6
245.19008	1.8
249.14909	3.1
255.17487	0.8
263.20068	1.1
267.15927	1.0
273.18494	14.3
291.19534	100.0
292.19864	2.3
309.20364	0.5
315.10449	0.4
347.22110	3.2
365.23224	45.7
366.23618	0.8
433.90616	0.5
435.43051	0.5
451.77255	0.5
535.32629	0.8
546.24652	0.5
557.34576	1.8
575.35944	1.4
587.35559	1.1
637.41241	2.3
655.42041	41.2
656.42163	2.4
711.42352	0.6
719.39117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	4.0
67.01939	1.0
67.05508	54.6
69.03433	6.9
69.07067	14.5
70.56438	1.9
70.56812	2.4
71.04990	3.7
75.65922	1.1
76.64052	1.0
77.03915	1.3
79.00020	1.1
79.05494	34.6
81.03430	8.6
81.07058	61.6
83.04995	12.6
83.08613	7.5
84.08144	43.6
85.02884	1.9
85.06538	7.3
89.06026	1.2
91.05483	61.1
92.05785	1.2
93.07044	42.6
95.04971	12.2
95.08606	21.3
97.06530	5.9
97.10173	2.2
98.21308	1.8
99.04429	2.4
103.05449	1.5
105.04560	1.3
105.07034	55.1
107.04957	11.6
107.08593	35.9
109.06535	8.8
109.10152	41.9
111.04425	2.7
111.08087	4.7
113.06014	1.5
115.05448	1.7
117.06995	6.6
119.08574	15.6
121.06505	15.0
121.10145	10.3
123.04391	1.7
123.08093	5.3
123.11691	7.5
125.09624	2.1
127.07454	1.9
128.06239	3.5
129.07031	6.8
130.08646	67.0
130.09619	2.5
131.08557	15.3
133.06468	4.9
133.10129	63.3
134.10464	1.7
135.08061	12.4
135.11667	5.7
137.09607	4.6
141.06992	2.4
143.08537	8.0
145.06479	1.5
145.10110	8.1
147.08093	5.3
147.11661	5.4
149.09613	8.4
151.11189	35.8
151.12389	2.5
153.12708	1.4
155.08559	1.4
157.10158	3.2
159.08009	2.6
159.11726	4.1
161.09616	9.5
161.13258	3.4
163.07608	2.4
163.11203	1.6
165.09135	1.4
169.10081	2.4
169.12216	5.1
171.11693	4.1
173.09607	1.3
173.13231	1.5
174.47934	1.2
175.11232	5.4
177.09100	3.5
177.12738	2.3
179.10692	4.3
181.08598	1.3
181.10127	1.2
181.12312	1.4
185.13292	2.5
187.11206	1.7
189.12767	3.2
195.11757	1.9
197.11749	1.6
199.14847	1.4
215.12769	5.3
227.17978	2.7
237.16397	1.1
245.18999	5.3
251.12877	2.6
253.14354	100.0
254.14690	2.3
255.17461	3.6
263.19995	2.9
271.15469	4.7
273.18488	41.5
291.19537	31.2
309.20529	2.0
329.21167	2.3
335.25797	2.0
347.22101	11.6
365.23206	31.3
405.57455	1.2
421.26230	1.7
449.25269	14.1
488.94687	1.1
543.32965	7.9
561.34222	9.4
637.40704	5.1
655.42126	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	852.51
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80515	0.8
65.03929	2.8
66.33650	0.8
67.05508	46.4
69.03436	9.1
69.07070	26.3
69.91248	3.8
70.06589	1.2
71.05005	4.3
73.02924	0.8
79.05494	34.7
81.03411	9.2
81.07059	45.8
83.04982	8.0
83.08615	9.0
84.08145	36.3
85.06540	3.2
90.42173	0.7
91.05482	43.9
93.07047	33.2
93.07643	1.7
95.04974	12.9
95.08607	16.2
97.02894	6.8
97.06531	5.2
97.10175	8.5
99.04451	1.4
103.05453	1.7
105.04510	1.1
105.07035	34.4
107.04952	12.0
107.08591	27.2
107.09311	1.5
109.02862	1.1
109.06519	5.1
109.10160	32.5
111.04458	1.1
111.08061	2.5
113.06005	1.5
115.05455	2.0
116.06289	1.0
117.07030	11.3
119.04982	1.5
119.08582	17.0
119.99508	0.8
121.06528	9.3
121.10143	6.5
123.08062	4.8
123.11715	5.5
125.09629	7.2
127.07507	1.6
128.06242	2.0
129.06998	4.2
130.08646	52.0
130.09619	1.8
131.08563	12.6
133.06532	4.4
133.10136	37.7
134.07265	1.1
135.08073	7.0
135.11665	4.7
137.09619	2.8
141.07016	1.3
142.07768	1.3
143.08537	5.5
145.06541	0.9
145.10138	7.8
147.08032	7.5
147.11684	4.5
149.09627	5.9
149.13205	2.3
151.11189	20.8
153.09071	1.1
156.09305	0.8
157.10129	3.3
158.73122	1.0
159.08055	1.8
159.11703	3.4
161.09621	7.0
161.13295	1.1
163.11179	1.9
165.09105	1.6
167.10712	0.9
169.10086	1.2
169.12265	3.5
171.08041	0.9
171.10321	1.1
171.11653	4.1
173.09636	1.8
173.13306	1.5
175.11224	4.1
177.09050	1.0
177.12694	1.6
179.10764	2.0
184.07349	1.5
185.13251	1.7
189.11267	2.5
193.12285	1.4
193.75734	0.9
195.13826	1.4
197.11731	1.1
205.12212	2.2
215.12752	2.0
223.13287	14.6
227.12793	2.5
245.19098	3.4
249.14946	2.8
251.12804	1.8
253.14359	73.7
254.14587	1.1
255.17632	1.8
263.20087	2.7
273.18497	33.0
283.15399	1.2
291.19547	100.0
292.19836	2.8
309.20572	2.3
347.22125	8.1
365.23230	44.4
366.23456	1.5
423.23911	1.2
543.33081	3.9
559.32825	1.2
561.34131	17.1
637.40997	7.2
655.41962	22.1
775.86035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	9.1
60.82120	0.6
64.81222	0.5
65.85509	0.6
67.05505	4.4
69.03445	1.3
69.07059	2.1
70.06590	4.1
71.04980	0.8
71.08634	41.6
71.49319	0.5
71.49741	0.8
73.02903	2.4
73.06557	5.5
73.61092	0.6
79.05489	2.3
81.03410	1.8
81.07062	2.9
83.08612	1.8
85.10183	35.6
86.09713	1.1
87.04469	20.3
88.07680	0.7
89.06033	100.0
91.05493	2.2
91.07609	0.9
93.07049	3.1
95.05009	0.9
95.08598	1.5
97.02901	0.8
97.06545	0.8
97.10114	1.1
99.11742	2.5
102.09210	1.0
103.07590	6.8
105.07034	1.7
107.07088	0.8
107.08603	0.7
109.10171	1.8
113.06059	0.9
116.07087	3.6
117.06998	0.7
117.09143	3.9
119.08572	1.7
129.06940	0.6
129.09097	0.7
130.08638	2.7
131.07051	7.6
131.08553	1.2
133.08606	69.9
135.10181	1.1
141.16373	3.4
145.06535	0.8
145.10175	0.6
149.02336	3.2
161.11752	1.6
171.79639	0.5
173.11772	0.9
175.09671	6.3
177.09676	1.3
177.11230	25.6
184.07350	1.7
193.05017	1.9
199.20593	4.4
219.12303	1.5
221.13863	6.2
223.15492	0.7
227.12868	1.6
229.14386	1.5
230.14716	0.9
239.14880	0.7
243.23210	4.5
256.26392	2.3
261.21661	0.6
265.16602	1.6
275.20224	0.7
283.17477	0.8
291.19684	1.1
302.00888	0.6
309.19208	1.2
315.23273	0.6
320.39462	0.6
327.20215	1.0
335.25735	1.3
336.26163	0.9
428.58514	0.6
489.35724	0.7
490.36911	0.7
509.61969	0.6
635.38599	3.3
644.63660	0.6
653.40826	1.2
708.19055	0.6
850.39404	2.9
850.61505	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	850.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	1.2
60.89157	0.7
61.02908	0.7
62.06654	0.7
65.03931	2.6
67.05505	24.6
69.03429	8.1
69.07072	16.4
70.06577	3.0
70.06957	0.6
71.04980	1.6
71.08611	1.1
71.49664	1.2
72.08144	0.9
79.05492	24.4
81.03403	2.7
81.07056	19.9
81.73717	0.8
83.04969	3.4
83.08620	17.7
84.08111	1.2
85.06508	1.1
86.09698	1.9
88.07619	3.0
91.05482	24.9
92.59648	0.7
93.07046	15.2
95.04975	4.3
95.08613	6.9
97.02908	3.8
97.06522	2.0
97.10169	36.5
101.09602	0.9
102.09184	2.8
103.05488	0.8
105.06393	1.0
105.07030	9.8
107.04961	5.5
107.08593	18.2
109.06517	2.1
109.10159	5.9
111.08071	2.1
115.05428	3.4
117.06235	1.4
117.07019	18.0
119.08582	22.6
120.08102	1.0
121.06485	3.0
121.10130	3.0
123.04424	0.8
123.08074	1.6
123.11675	0.8
125.09631	32.6
128.06230	1.9
129.06989	3.0
129.23543	0.7
131.08591	7.9
132.85260	0.7
133.06465	2.7
133.10150	3.8
135.08063	6.5
135.11676	1.5
137.05949	1.0
137.09645	1.1
141.07043	0.8
142.07709	0.7
143.08549	5.6
143.10732	0.8
145.06491	12.6
145.10118	5.0
147.08057	6.1
147.11676	2.3
149.02356	11.4
149.03471	1.5
149.09610	1.3
149.13248	1.0
153.09120	4.4
153.88480	0.7
155.08545	1.6
157.10091	3.3
159.08116	4.9
159.11681	2.0
161.09598	3.3
163.07523	1.7
169.10118	1.7
171.10161	2.7
171.11580	1.7
173.09621	1.7
175.11180	1.8
177.12675	1.0
183.11816	0.9
184.07314	1.2
189.11217	21.9
193.04950	6.9
193.12190	1.0
199.11256	0.8
205.12318	1.1
223.13303	6.7
225.16354	1.2
227.12779	100.0
228.13185	1.6
237.07626	1.2
245.13779	1.1
245.19017	1.0
249.14836	2.2
249.17232	0.8
253.15996	1.0
255.17603	0.7
256.26395	9.6
271.16934	27.9
272.17337	1.6
273.18497	10.2
276.84210	0.7
289.18036	6.4
291.19537	59.3
292.19852	2.3
345.20657	5.6
363.21677	4.8
365.23215	11.1
397.21991	2.2
517.31580	5.7
535.32660	30.2
536.33307	1.3
621.15930	1.4
635.39404	11.1
653.40601	14.5
700.15497	0.8
850.39532	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	848.6298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04723	2.9
59.05002	49.2
68.85384	1.2
69.07056	3.4
71.08630	96.3
71.50703	1.4
74.10549	1.6
79.05479	2.3
83.08621	3.1
85.10182	100.0
86.09701	7.7
86.10473	1.6
87.04473	8.2
89.06028	53.3
95.60644	1.4
97.10162	2.3
99.11732	13.9
100.07535	1.5
101.09640	3.3
103.07562	1.6
107.07080	2.0
116.07124	1.7
117.09125	23.0
124.99965	3.8
130.08685	1.9
131.07050	2.7
133.08603	38.0
141.16394	12.4
177.11224	12.2
184.07346	20.1
196.19437	1.5
199.20589	23.3
199.23375	1.6
213.34363	1.4
221.13757	1.6
240.23212	2.3
257.24765	30.8
338.60040	1.8
356.92795	1.5
459.27695	6.9
560.59198	1.5
704.38019	1.6
848.63019	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	849.7479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13363	0.9
65.03938	1.9
67.05504	35.2
69.07068	28.6
70.68362	1.1
70.68714	2.6
71.08615	3.5
75.56455	0.9
79.05495	19.2
81.07054	72.6
83.05009	1.1
83.08619	13.6
85.06532	4.2
91.05477	16.6
93.07040	45.6
95.04951	2.5
95.08607	100.0
97.06520	4.5
97.10177	7.8
99.08076	1.6
103.05460	1.1
105.07035	30.1
107.08593	64.4
109.06483	1.6
109.10155	80.7
110.10484	1.3
111.08083	6.3
111.11688	4.9
112.00427	1.0
113.09628	3.1
117.07007	4.4
119.08578	36.8
121.10142	57.8
123.08069	6.4
123.11708	46.2
125.00032	1.3
125.09589	2.5
127.11140	2.1
131.08556	9.5
133.10135	37.9
135.08028	2.8
135.11690	50.7
137.09621	4.3
137.13249	28.2
139.11143	2.0
143.08525	2.4
145.10107	17.1
147.10510	1.7
147.11688	33.9
148.12007	1.1
149.09659	1.8
149.13257	31.2
151.11150	2.4
151.14798	9.0
153.12764	2.4
157.10146	5.2
159.11690	20.9
161.13255	34.1
163.11198	2.4
163.14812	22.9
165.12737	4.2
165.16354	6.0
171.11702	4.3
173.13275	13.7
175.14822	17.5
177.12729	2.5
177.16379	14.1
179.14328	8.1
179.17986	5.4
184.07309	4.1
185.13243	4.9
187.14809	13.7
189.16365	17.3
191.14311	2.8
191.17923	17.2
193.15858	2.3
193.19531	4.0
199.14828	3.6
201.16365	9.3
203.17950	19.8
205.15846	7.4
205.19508	5.6
207.17380	7.4
213.16356	4.9
215.17957	12.7
217.19478	10.8
219.17473	2.3
219.21078	6.6
221.19089	1.8
227.17915	4.1
229.19513	13.1
231.17436	1.6
231.21059	3.2
233.19006	9.3
233.22643	2.0
235.20372	1.5
241.19473	4.4
243.21138	3.0
245.19023	2.7
245.22679	1.7
247.20567	6.7
255.21173	6.7
257.18967	1.3
257.22598	2.0
259.20700	2.3
259.24182	2.2
261.25644	1.8
269.22638	3.0
271.20892	1.0
271.24191	3.8
273.22107	5.0
273.25385	1.8
283.24185	8.7
285.25800	2.2
287.23676	2.6
297.25894	9.1
299.27277	1.7
301.25235	6.2
313.25125	1.6
315.26828	10.9
323.27408	1.1
325.28903	14.5
341.28494	8.6
343.29935	31.1
344.30093	1.9
347.09753	1.1
355.30225	2.6
357.31570	1.9
369.31479	1.8
407.36578	2.9
423.35999	2.3
425.32336	1.4
425.37784	23.9
491.42209	1.3
493.43967	5.7
503.42215	1.4
505.44012	2.5
533.46967	5.4
535.48444	3.3
549.49719	1.4
602.44556	1.3
620.45947	2.2
627.54407	1.2
813.50092	3.0
831.72882	4.6
849.48065	3.5
849.74634	21.6
850.73975	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	848.63
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	41.4
67.05494	7.3
69.07053	5.2
69.43136	5.4
69.43547	3.2
71.08630	100.0
73.02930	1.3
73.68727	1.1
79.05470	5.3
81.07042	5.5
83.08601	5.2
85.10180	89.3
86.09696	2.4
87.04470	17.1
89.06032	76.9
91.05475	6.2
93.07045	5.7
95.04989	1.2
95.08586	4.3
97.10167	11.5
98.21551	2.1
99.11146	1.5
99.11738	19.5
101.09636	2.5
105.07034	1.5
107.08583	5.3
109.10160	1.3
111.11715	1.5
113.13287	7.5
117.06993	3.6
117.09142	18.1
119.08582	8.5
119.10612	1.2
124.99973	1.6
125.09592	7.1
131.07069	5.8
131.08513	2.0
133.08601	55.8
135.11736	1.4
145.06538	1.1
147.10202	1.4
155.17979	11.8
165.15584	1.1
171.10262	1.2
175.09576	4.1
177.11218	23.1
184.07317	10.8
189.11237	8.3
197.64879	1.2
213.22153	21.4
221.13786	4.2
227.12813	15.2
245.13820	1.3
255.81017	1.1
261.22131	2.9
265.16592	2.3
271.16861	7.5
271.26370	21.5
289.17944	3.1
298.31204	1.3
327.20129	1.7
335.25781	8.4
345.20551	1.9
363.21503	3.4
371.22681	1.5
383.89706	1.3
503.30573	8.0
505.35144	12.4
561.34778	1.2
605.41968	3.6
623.43182	9.6
789.42151	2.0
848.62244	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	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.5
61.02925	12.5
65.03941	2.6
67.05505	100.0
67.58382	0.6
68.05844	0.8
69.03432	1.8
69.07070	9.4
71.00685	0.6
71.04988	3.7
71.08644	0.7
71.49686	1.0
73.02904	3.5
79.05495	22.3
81.03430	2.3
81.07053	45.0
83.04977	1.5
83.08612	8.3
85.02908	14.5
85.06544	3.4
87.04489	0.8
91.03952	9.7
91.05479	18.2
93.07043	30.3
95.04961	2.8
95.08604	30.6
97.02891	7.4
97.06545	1.9
97.10164	2.7
99.04465	1.2
99.08081	1.4
105.04504	0.8
105.07030	8.4
107.08594	17.0
109.02853	0.7
109.06510	1.1
109.10155	84.5
110.10506	1.5
111.08072	3.3
117.07025	3.6
119.08573	12.5
121.10142	11.6
123.08120	0.7
123.11700	4.0
125.09653	1.6
127.03938	2.9
131.08586	7.3
133.10123	5.9
135.11702	9.9
137.09639	4.4
137.13264	1.1
145.04929	3.3
145.10115	6.1
147.11716	4.3
149.13248	6.5
155.10661	6.1
159.11691	4.3
161.13246	4.4
163.05998	3.3
163.14824	3.6
173.11754	20.0
173.13266	4.7
175.14835	2.1
177.16313	1.2
184.07390	2.5
187.14836	3.1
189.11238	1.2
191.14281	0.8
223.94685	0.7
227.12794	5.9
227.16280	0.9
229.14349	95.8
230.14719	2.5
243.21074	6.1
261.22131	25.4
275.20145	0.9
279.23114	0.9
317.24789	4.7
318.34900	0.8
335.25797	78.4
336.26144	2.0
379.29807	1.2
397.31039	2.3
415.31863	0.8
471.34558	2.5
489.35742	81.0
490.36023	3.7
507.37027	6.3
538.54987	0.9
540.67310	0.7
645.71442	0.8
715.72614	0.8
848.50110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	3.7
59.18035	0.8
61.02927	11.0
65.03932	2.9
67.05507	95.4
68.05833	1.0
69.03422	2.1
69.07063	7.7
69.46792	5.8
71.04986	3.3
71.08620	0.9
73.02915	3.0
79.05077	1.1
79.05495	16.7
81.03403	2.2
81.07057	33.0
83.04995	0.9
83.08620	8.0
85.02908	13.6
85.06532	3.0
86.09699	1.3
91.03968	7.2
91.05487	13.5
93.07048	22.9
95.04947	1.3
95.08609	24.1
97.02905	6.1
97.06528	2.1
97.10163	1.7
99.08080	1.0
105.07023	7.3
106.04791	0.8
106.27274	0.8
107.08598	12.9
109.10160	73.2
110.10458	1.6
111.08080	3.7
115.05399	0.8
117.07002	2.8
119.08580	11.0
121.10161	10.1
123.04385	1.1
123.11710	4.2
124.07544	1.0
125.00013	0.9
125.09615	1.4
126.09148	1.6
127.03905	3.3
131.08559	4.4
133.10159	4.8
135.11687	8.2
137.09605	3.3
137.13277	1.4
145.04924	3.8
145.10143	4.1
147.11676	4.0
149.13261	4.9
155.10657	6.7
159.11707	3.1
161.13269	3.4
163.06038	5.2
163.14838	2.5
173.11736	20.2
173.13274	4.2
175.14864	1.3
177.16367	1.3
184.07346	1.5
187.14839	2.5
189.11139	0.8
227.12790	7.2
229.14360	100.0
230.14584	1.4
243.21100	4.2
261.22189	18.2
263.84290	0.7
317.24600	3.4
335.25806	65.4
336.26221	2.4
353.27182	0.9
355.33658	0.9
379.30099	1.0
397.31165	2.5
401.01984	0.8
415.32211	2.2
435.31555	0.8
471.34741	2.9
489.35751	46.8
490.35950	2.3
507.36826	4.2
848.50879	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	846.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	1.1
61.02925	2.1
65.03929	1.3
67.05506	28.0
69.03437	1.8
69.07083	6.2
69.20908	9.1
71.04986	1.6
71.61007	1.0
73.02910	1.2
73.06551	1.7
76.03704	0.8
77.91855	0.8
79.05494	42.7
81.03418	5.8
81.06590	1.6
81.07059	25.1
83.04979	8.0
83.08622	4.3
85.02894	2.2
86.09711	1.2
91.03990	1.3
91.05480	32.2
93.07043	44.2
95.04967	12.3
95.08607	16.4
97.06537	2.2
97.10159	2.0
103.05367	1.0
105.04527	1.5
105.07030	25.2
107.04945	3.5
107.08585	9.8
109.06503	4.1
109.10131	3.9
115.05421	1.7
117.07021	5.1
119.08582	11.6
121.06503	2.0
121.10114	2.9
123.08073	4.8
128.06244	1.3
129.07007	12.5
131.08539	2.0
133.06560	1.4
133.10144	6.0
135.11693	1.9
136.06200	1.3
143.08537	7.0
145.10130	6.1
147.11690	25.0
156.09389	1.5
161.09599	3.0
161.13272	8.6
163.11150	1.7
171.11685	19.8
189.12709	8.2
207.13837	15.8
225.14899	2.1
263.16458	1.9
281.17480	42.5
282.17688	1.9
316.28510	2.4
345.13419	1.1
349.40921	1.0
423.71994	1.0
469.29471	2.6
487.30557	100.0
488.30695	4.1
501.76431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69498	0.4
61.02922	3.0
65.03963	0.5
67.05508	4.3
69.03435	2.6
69.07072	2.7
69.95090	1.9
71.04996	0.8
73.02921	3.3
79.05494	6.8
81.03425	1.2
81.07056	6.0
83.05002	0.5
83.08624	0.9
85.02903	4.0
86.09710	1.3
87.04475	0.5
91.03956	2.2
91.05499	4.2
93.07047	5.7
95.04976	0.8
95.08611	3.4
97.02891	3.6
97.06516	0.5
99.04448	0.7
101.02402	1.6
103.43380	0.4
105.07036	3.4
107.08572	3.3
109.02910	0.6
109.10176	1.3
117.07043	1.4
119.08571	2.8
121.10149	2.1
123.11765	0.7
125.00035	0.7
127.03963	0.9
129.05502	0.5
129.07051	0.7
131.08635	1.4
131.89799	0.4
133.10176	1.5
135.11710	1.3
137.09657	0.5
145.10107	0.9
147.11696	0.8
148.33032	0.4
149.09402	0.4
159.11783	0.6
161.13229	0.6
184.07367	3.4
185.07808	0.5
234.07770	0.4
237.24998	0.4
243.08369	3.7
297.10944	0.4
298.25143	0.4
301.09155	1.5
306.26047	0.5
313.08707	0.6
313.27765	0.6
315.10599	0.8
333.20169	2.6
355.13425	0.6
373.11551	0.6
375.90240	0.5
431.24335	0.6
439.19592	1.1
453.21204	0.9
465.20999	0.6
535.28650	5.4
551.28351	5.3
623.30597	1.2
651.33252	0.5
683.42749	0.5
747.42950	0.5
845.50153	100.0
846.50507	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	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08132	0.7
61.02932	3.2
67.05508	4.4
69.03429	2.6
69.07072	2.6
69.87606	2.5
71.04996	0.7
73.02908	3.6
79.05492	5.3
81.03439	2.0
81.07049	5.1
83.04995	0.6
85.02905	2.6
86.09713	1.5
87.04466	0.6
91.03990	2.3
91.05483	5.0
91.17007	0.4
93.07055	5.5
94.76675	0.4
95.04976	1.3
95.08634	3.0
97.02895	3.8
97.06562	1.0
98.21449	0.7
99.04494	0.8
101.02420	0.8
105.07024	3.9
107.08604	2.2
109.02883	0.5
109.10152	1.1
117.07019	0.6
119.08607	2.2
121.10162	1.7
125.00021	1.0
127.03941	1.4
129.07016	0.8
131.08594	1.5
133.10179	2.0
135.08080	0.7
135.11700	1.2
139.03943	0.6
141.12177	0.4
145.10162	1.4
146.86278	0.5
147.11696	1.1
149.13254	0.7
157.10106	0.6
159.11690	1.0
160.88554	0.5
161.13263	1.0
177.05429	0.7
184.07356	4.2
185.04224	0.8
243.08408	3.5
259.20871	0.8
289.14377	0.7
301.08908	1.0
303.16116	0.5
331.26776	0.5
333.20523	2.0
355.58771	0.5
439.19135	0.9
453.21323	1.4
465.21143	0.6
535.28845	5.5
546.40649	0.5
551.28400	5.6
623.30597	0.8
639.39075	0.9
665.40948	0.6
683.41235	1.1
747.42969	0.9
845.50177	100.0
846.50421	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.6
67.05505	4.7
69.03432	2.8
69.07063	1.5
73.02919	3.0
79.05497	3.6
80.27885	0.5
81.03419	1.9
81.07056	4.2
83.04984	1.5
83.08612	0.8
85.02905	4.5
86.09719	1.5
89.06055	0.7
91.03953	2.4
91.05487	4.3
93.07056	5.4
95.04972	1.0
95.08612	4.1
97.02882	3.7
99.04478	0.9
101.02375	1.6
105.07047	4.4
107.08579	3.3
109.06549	0.8
109.10155	1.2
116.07101	0.9
117.06981	1.0
119.08585	2.9
121.10154	2.1
125.00028	0.9
127.03888	0.7
129.05521	0.7
130.08687	0.6
131.08659	1.1
133.10114	2.6
135.08038	0.7
135.11722	1.1
143.08627	0.7
145.10118	1.0
147.11705	1.5
149.13240	0.6
151.11229	0.6
155.08525	0.6
158.01270	0.6
161.13232	0.6
184.07338	3.9
185.04182	1.2
193.12245	0.6
203.05307	0.9
222.50336	0.6
243.08372	3.4
301.09048	1.0
313.17926	1.4
315.10455	1.1
331.18857	2.8
373.11090	0.7
451.19342	1.0
531.25781	1.9
535.28784	7.6
549.26788	3.7
745.41559	3.3
746.42212	0.6
825.47614	8.3
843.48584	100.0
844.48962	7.4
844.63110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.6
65.03929	12.0
67.05506	100.0
69.03428	43.8
69.07077	25.1
71.04984	12.0
71.49679	6.6
79.05499	81.3
81.03422	91.5
81.07062	82.3
83.04960	18.4
83.08614	19.9
85.02889	15.5
85.06545	5.9
86.09667	6.6
88.03076	3.7
91.05488	82.3
93.07050	68.5
95.01318	17.4
95.04986	24.1
95.08614	51.3
97.02897	35.8
97.06517	6.0
97.10168	20.0
99.04411	9.2
103.05486	3.9
105.07028	67.4
107.04941	15.3
107.08598	36.6
109.02862	26.8
109.06523	7.5
109.10159	27.7
111.04449	7.5
111.08054	5.1
114.42413	4.2
115.05469	8.4
117.07026	33.1
119.04911	6.4
119.08601	45.1
121.02859	7.2
121.06495	8.4
121.10115	20.6
123.04412	7.2
123.08069	8.7
125.00027	7.2
125.02401	4.3
125.09566	9.6
127.03925	23.7
128.06213	8.1
129.05437	5.9
129.06998	29.2
129.76120	4.3
130.07802	4.2
131.04930	8.4
131.08537	34.0
133.06480	11.1
133.10117	33.3
135.04414	12.4
135.08028	17.2
135.11681	15.2
136.06171	13.7
137.05949	6.7
139.03836	6.2
141.06961	10.2
142.07787	8.6
143.08591	27.7
144.09322	4.3
145.06436	11.8
145.10115	31.0
147.04428	7.8
147.08026	9.3
147.11655	20.9
149.05986	9.8
149.13234	7.7
151.03851	12.2
152.06355	3.8
153.05536	4.0
153.06921	7.4
153.09042	5.4
155.08600	21.7
157.06493	8.1
157.10123	20.8
159.04512	5.9
159.08051	13.4
159.11681	25.3
161.05988	11.0
161.09593	7.4
161.13249	10.2
163.03929	29.9
163.11168	8.6
165.01875	4.4
165.05533	7.9
165.07004	11.3
166.07809	4.8
167.03365	10.8
167.08563	12.6
169.06447	5.7
169.10117	25.9
171.08055	8.8
171.11682	18.7
173.04439	23.7
173.05885	8.4
173.09645	8.4
173.13264	11.5
175.03867	7.6
175.11159	5.8
175.14731	5.4
177.05453	10.9
178.07677	4.0
179.08533	7.1
181.10112	15.0
183.08052	9.2
183.11678	13.2
184.07387	23.8
185.05992	6.9
185.09587	12.7
185.13261	10.1
187.11148	7.3
189.05493	11.0
189.11174	5.2
193.10159	8.3
195.02902	4.2
195.08023	8.0
195.11604	5.7
197.09550	11.1
197.13234	11.8
199.03879	10.3
199.11147	8.5
199.14903	7.6
201.09050	5.3
203.10773	4.6
205.04973	7.7
207.08009	6.3
207.11743	6.0
209.09630	6.7
209.13295	9.2
211.11142	8.9
211.14757	5.9
213.09123	7.3
213.12706	6.6
215.10611	7.0
221.13383	5.1
223.11104	9.6
225.09149	8.0
225.12762	7.1
227.10710	6.5
227.12718	9.3
229.08452	5.5
231.09923	6.3
233.09447	5.2
237.09129	5.1
239.10698	6.6
241.19554	5.0
253.08598	4.3
257.11707	6.4
259.20535	16.5
261.11224	5.0
263.10507	4.6
269.11670	6.2
273.11118	7.2
285.11252	10.4
287.12662	4.4
301.21884	5.1
303.12259	13.5
321.13300	14.2
325.21786	4.2
333.13232	9.0
333.24454	10.6
335.25681	14.2
349.12686	15.1
351.14368	6.1
393.22333	4.1
423.16608	9.2
425.18265	7.7
520.66364	4.9
545.32898	7.6
563.33563	5.2
565.35095	8.1
581.35107	5.7
591.33197	11.6
609.34052	18.3
619.36200	10.1
637.37524	6.4
647.35229	5.0
655.37885	9.5
665.36853	21.1
673.39337	5.9
683.37628	76.6
684.37897	9.1
701.38501	12.6
791.39423	14.3
809.41028	5.0
827.41650	17.8
845.42926	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.5
60.08168	0.9
61.02927	3.9
67.05502	5.1
69.03106	0.6
69.03431	3.1
69.07073	2.8
70.16533	0.7
70.16917	1.0
71.01345	0.7
71.05009	0.7
73.02915	2.7
73.51322	0.5
75.21708	0.4
79.05493	4.1
81.03431	2.5
81.07054	5.1
83.04999	0.6
83.08628	1.0
85.02908	3.5
86.09718	3.7
87.04440	0.5
87.10084	0.5
87.82839	0.4
91.03963	1.7
91.05480	4.3
93.07044	4.2
93.53481	0.4
95.01304	0.6
95.04990	1.2
95.08603	3.0
97.02900	3.8
97.06540	1.3
97.10177	0.6
98.21452	0.5
99.04456	0.8
101.02390	1.5
105.07034	4.1
107.04952	1.6
107.08604	2.2
109.06529	0.4
116.34019	0.4
117.07075	0.9
119.08612	2.7
119.09369	0.5
121.10173	1.3
123.04440	0.4
123.08127	0.5
124.99227	0.4
124.99974	2.3
125.09671	0.4
127.03947	0.9
129.07069	0.5
131.08560	2.1
133.10083	2.2
135.11662	0.9
145.10161	1.2
147.11719	1.1
149.09677	0.7
149.13292	0.6
154.87320	0.5
157.10216	0.5
159.11705	0.9
163.11243	0.7
178.72975	0.4
179.14352	0.7
184.07341	10.6
185.04291	0.5
185.07765	1.9
185.09714	0.4
194.46216	0.4
203.05400	0.7
237.96127	0.4
243.08385	3.9
251.13054	0.5
275.20197	0.7
301.09079	1.1
315.19324	2.1
331.18979	0.9
333.20428	1.5
335.25577	0.5
369.15250	0.4
371.17691	0.5
371.22113	1.7
439.19415	0.9
453.20920	0.6
456.40527	0.4
463.40857	0.4
513.73901	0.4
533.27228	7.1
534.27026	0.5
535.29108	1.6
549.26886	1.8
551.28278	4.2
558.62073	0.5
825.47394	0.6
843.48657	100.0
844.48730	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	843.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.1
70.78037	1.0
70.78352	1.1
71.08614	0.8
81.03419	0.8
86.09753	0.8
104.35983	0.6
125.00025	0.7
147.83127	0.6
150.62114	0.6
184.07379	2.9
239.00687	0.7
311.72333	0.7
316.20398	0.7
474.22763	0.7
498.06512	0.6
541.50885	0.7
565.24719	1.4
843.46558	100.0
844.46820	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	843.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	3.5
71.08639	1.9
71.20809	1.2
73.06584	1.1
85.10206	1.6
87.04506	1.1
89.06043	3.0
89.73210	1.0
89.91699	0.9
94.86366	0.9
117.09141	1.5
119.82299	1.1
140.91818	0.9
184.07402	1.8
203.43810	1.0
235.63652	0.8
265.78503	1.0
535.26935	1.2
590.61877	1.0
594.13147	1.0
727.59857	0.9
789.07452	1.2
825.45825	5.8
843.46545	100.0
844.46954	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	842.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.0
65.03932	4.0
67.05505	100.0
69.03429	5.5
69.07064	25.0
69.28129	18.5
70.06581	3.4
71.04982	3.9
79.05492	52.8
81.03412	5.9
81.07054	85.8
83.04967	6.0
83.08621	15.3
84.08111	2.5
85.06548	5.2
86.09703	9.5
91.03937	3.0
91.05478	41.0
92.71510	2.1
92.75391	2.2
93.07043	61.5
93.07643	3.0
95.04968	5.3
95.08607	56.0
97.02895	4.6
97.06522	7.8
97.10182	9.7
105.04521	2.6
105.07034	32.0
107.04980	4.2
107.08592	46.6
109.06542	5.7
109.10154	44.8
111.08059	4.9
116.07124	5.0
117.07014	11.3
119.08582	24.1
121.06501	2.6
121.10139	24.3
123.08082	3.7
123.11697	11.1
124.99996	6.1
125.09651	7.0
125.96227	2.1
129.07004	3.1
131.08569	17.0
133.10152	18.8
135.08044	4.0
135.11708	14.2
137.09598	2.4
137.13237	2.3
143.08574	2.7
145.10100	12.6
147.11681	10.6
149.09634	6.7
149.13242	12.6
155.08582	2.8
155.10722	3.7
157.10139	3.3
159.11707	11.2
161.13275	7.3
163.11249	2.5
163.14851	3.7
165.12653	2.2
171.11646	2.8
173.11804	5.7
173.13280	8.5
175.14685	2.9
177.12810	2.3
184.07298	29.6
187.14842	3.4
197.13251	2.9
227.12805	8.7
229.14311	40.9
243.21138	4.5
245.13831	2.6
257.18872	5.5
261.22137	13.6
269.17450	19.8
275.20038	28.0
293.21198	5.5
335.25766	88.5
336.26135	3.2
349.23856	20.0
367.24738	15.5
406.45724	2.2
459.23987	2.6
489.35751	22.3
511.37088	2.9
529.38831	44.8
530.39240	3.2
609.45270	29.6
627.46222	21.3
842.46802	19.1
843.48645	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	841.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.6
67.05512	6.8
69.03438	3.8
69.07066	4.2
71.04983	1.1
73.02926	3.8
79.05496	5.9
81.03413	3.5
81.07056	7.5
82.07401	0.6
83.04983	2.5
83.08607	1.7
84.08148	1.5
85.02892	4.3
86.09725	0.9
87.10136	0.6
91.03952	2.3
91.05479	7.2
93.07039	5.5
95.01269	0.7
95.04955	2.7
95.08614	6.1
97.02893	3.7
97.06525	1.2
98.20688	0.9
99.04506	0.6
101.02399	2.3
105.07029	5.4
107.04959	1.5
107.08607	2.2
109.02882	0.8
109.06509	1.8
109.10167	2.6
111.08147	0.8
116.07084	1.5
117.07027	1.1
119.08607	2.6
121.06522	0.7
121.10154	1.5
123.08100	0.6
127.03954	0.8
129.07001	0.8
130.08649	1.5
131.08583	2.7
133.10121	3.4
135.08055	0.9
135.11731	0.7
137.09555	0.7
143.08595	1.0
145.10155	1.4
149.09666	1.4
154.79036	0.6
157.10150	1.1
159.11751	1.2
161.09572	0.9
163.11247	0.6
171.11703	0.6
175.11200	0.8
179.14261	0.8
184.07352	1.3
187.11151	0.6
193.12283	1.1
203.05339	1.3
226.88530	0.7
243.08350	2.8
273.18530	1.0
313.17953	0.9
313.27371	0.8
315.19290	4.2
323.08194	0.6
324.45016	0.6
331.18842	1.9
335.25897	1.9
336.26343	0.7
339.37366	0.7
371.22092	0.9
451.19296	1.0
495.39828	0.6
531.26025	1.6
533.27155	11.5
549.26471	4.4
605.28717	1.3
651.11572	0.6
706.51569	0.7
735.17969	0.7
743.39697	3.7
823.45947	8.6
841.46991	100.0
842.47406	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	841.4702
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
60.08157	0.5
61.02918	2.8
65.03963	0.4
67.05505	7.0
69.03434	2.0
69.07071	3.6
70.06613	0.6
71.04970	0.4
71.50314	0.6
73.02923	2.9
73.69894	0.4
79.05492	5.5
81.03415	2.4
81.07052	6.4
81.41098	0.4
83.04977	1.0
83.08623	1.4
84.08137	0.6
85.02897	2.5
85.06546	0.6
86.09717	0.7
89.51220	0.4
91.03973	1.9
91.05478	6.6
92.50802	0.4
93.07042	3.7
94.07362	0.5
95.01345	0.7
95.04977	1.6
95.08599	3.9
97.02895	3.0
97.06534	0.7
97.10152	0.6
101.02381	1.4
105.07023	5.8
107.04988	1.4
107.08594	2.5
109.02896	0.6
109.06511	1.0
109.10153	2.8
111.08073	0.8
112.98972	0.5
116.07130	1.3
117.07045	1.1
119.08558	2.5
121.06521	0.8
121.10183	1.5
123.04376	0.5
123.08066	1.1
123.11697	0.5
124.99986	0.5
125.09641	0.8
127.03941	1.0
129.07004	0.5
130.08673	0.5
131.08603	1.8
133.10127	4.0
135.11708	0.9
143.08527	0.5
145.10106	1.0
147.11734	1.3
147.28223	0.4
149.09644	1.0
149.13278	0.5
151.11215	0.9
159.11710	0.8
161.13271	0.5
163.11246	0.5
169.10098	0.5
177.74588	0.5
179.14424	0.6
184.07306	2.0
187.11218	0.5
203.05347	0.4
227.12848	0.5
243.08429	3.2
273.18558	0.5
275.19989	0.5
291.19812	0.9
315.19348	2.7
331.18820	1.5
333.03528	0.4
334.21152	0.5
335.25906	1.8
336.26239	0.7
371.22083	1.0
387.21680	0.7
533.27148	8.1
546.38696	0.7
549.26624	6.4
626.45398	1.0
644.45538	0.7
841.46985	100.0
842.47516	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.4
67.05509	90.0
69.03424	9.3
69.07071	32.2
69.14666	34.2
70.06586	17.0
71.05003	4.9
73.02883	3.6
73.88387	3.3
76.62505	3.4
79.05498	75.5
81.03416	9.7
81.07059	100.0
83.04978	14.9
83.08617	13.2
84.08158	3.8
85.02899	9.6
85.06532	6.9
86.09697	4.4
87.04456	16.3
89.06037	4.2
91.05490	87.4
93.07051	84.3
94.07400	4.2
95.04960	11.9
95.08605	55.4
97.06528	12.9
97.10188	11.2
98.21475	7.2
99.08094	7.5
105.07037	83.3
107.04967	10.2
107.08601	53.9
107.69135	3.5
109.06541	5.5
109.10161	23.2
111.08118	6.7
115.05447	4.4
116.07088	20.4
116.62332	3.5
117.07017	28.6
119.08585	61.6
121.06572	4.3
121.10155	34.3
123.08083	4.1
123.11699	11.1
124.99953	3.7
128.06235	7.5
129.07030	18.5
130.07803	4.0
130.08655	5.3
131.08582	42.3
133.10120	53.7
135.08034	7.7
135.11717	24.7
137.09651	4.3
141.07074	3.9
142.07771	6.0
143.08553	20.2
145.10097	37.8
147.07988	4.4
147.11720	35.2
149.09637	7.4
149.13286	12.8
155.08546	10.7
157.10144	19.3
159.11703	29.5
161.13347	20.8
163.11180	8.3
167.08640	5.8
169.10115	14.8
171.11681	19.5
173.13252	13.2
175.11243	4.7
175.14882	8.1
179.08678	5.8
181.10114	4.1
183.11676	9.7
184.07339	20.3
185.13289	12.7
187.14958	3.9
195.11653	3.7
195.13701	4.1
197.13239	7.9
199.14816	8.3
207.63513	3.8
209.13333	5.3
211.14842	7.8
225.16219	4.0
231.21014	4.2
239.18071	3.8
241.19600	16.5
255.15945	6.6
257.19040	3.8
259.20584	41.8
261.22220	3.9
269.17422	20.9
271.20438	3.4
275.20065	14.7
291.68384	3.3
331.23352	3.5
333.24341	42.3
335.25885	4.7
349.23746	8.4
393.31482	3.7
435.32721	8.6
453.33951	4.7
489.36288	4.3
513.35858	18.5
515.37970	4.5
527.37360	50.9
545.38013	7.7
607.43408	15.0
625.44336	20.8
788.89709	4.1
840.44659	6.3
841.47015	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	4.7
67.05510	90.4
69.03418	8.9
69.07067	40.4
69.37241	9.3
69.37667	12.7
70.06599	30.5
71.04984	8.6
71.08661	3.4
79.05496	78.7
80.06274	2.9
81.03413	12.8
81.07056	96.9
83.04975	13.0
83.08620	19.0
84.08153	7.4
85.02898	4.3
86.09706	13.1
91.05484	100.0
93.07046	97.9
94.07362	3.3
95.04967	12.4
95.08610	57.8
97.02922	5.9
97.06537	11.6
97.10152	7.5
98.20712	5.0
99.08092	5.1
103.05492	4.6
105.07030	92.3
107.04961	9.1
107.08588	49.6
109.02798	3.3
109.06532	7.0
109.10157	23.9
111.08102	5.7
113.09602	3.2
115.05405	3.3
116.07097	42.4
117.07009	31.3
119.08578	57.7
121.06519	4.9
121.10130	27.9
123.04497	2.9
123.08083	8.0
123.11670	6.5
124.99991	6.9
125.09639	3.1
127.03877	3.4
128.06252	7.1
129.05508	3.4
129.07011	19.8
130.07744	4.0
130.08659	8.8
131.08571	43.9
133.06500	3.2
133.10127	43.5
133.47890	3.2
135.08057	6.3
135.11699	27.5
137.09616	4.2
141.07013	8.9
142.07756	6.0
143.08580	23.5
145.06528	3.0
145.10133	40.3
147.11711	36.2
149.09604	10.4
149.13245	13.4
151.11229	3.9
153.06926	5.2
155.08609	12.0
156.09285	2.9
157.10150	26.5
159.11685	32.4
161.09612	4.1
161.13266	18.4
163.11176	7.6
163.14844	4.7
167.08531	4.5
169.10185	14.6
171.11700	24.9
173.04518	4.4
173.13228	18.5
175.14839	7.5
177.12701	3.7
181.10080	5.0
183.11726	10.1
184.07359	35.6
185.13229	14.6
187.11244	3.1
187.14749	5.1
189.12712	4.1
195.11725	6.7
195.13663	2.9
197.13322	8.3
199.14882	8.5
201.16501	5.1
207.11638	3.1
209.13199	6.3
211.14857	4.2
213.16599	3.4
221.13397	3.5
223.14857	3.2
239.17816	3.3
241.19530	13.8
251.17982	3.2
255.15868	8.1
257.18893	5.2
259.20581	33.8
269.17328	14.4
275.20129	13.7
315.23166	6.0
333.24301	40.0
335.25900	5.8
339.27112	2.8
349.23895	9.3
367.25128	4.3
417.31387	4.0
435.32501	5.7
513.35687	14.1
527.37231	29.4
531.37488	3.2
533.39618	4.7
545.38635	4.4
607.43518	22.3
625.44727	17.8
840.46942	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	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	6.7
67.05505	75.6
69.03421	5.0
69.07069	45.1
69.67598	11.5
71.04980	6.4
79.05025	2.0
79.05495	70.4
81.03417	12.4
81.07058	93.7
83.04977	11.3
83.08619	17.4
85.02895	2.3
85.06522	3.4
87.04005	2.0
87.04458	11.7
91.05484	83.8
92.05849	2.2
93.07047	68.6
93.07639	3.6
95.01354	9.7
95.04969	14.5
95.08607	53.2
97.02883	4.8
97.06541	30.6
97.10162	13.2
105.04564	1.9
105.07034	100.0
107.04955	21.2
107.07886	3.0
107.08598	33.8
109.02863	3.3
109.06559	10.4
109.10155	20.8
111.08083	6.0
115.05462	3.0
115.55280	1.9
117.07009	28.2
119.08585	60.7
121.06477	6.4
121.10148	20.2
123.04434	2.7
123.08048	7.1
123.11684	5.3
124.99950	3.1
125.09638	7.9
125.95717	2.0
128.06120	3.8
129.06999	7.3
130.07784	4.1
130.08641	2.8
131.08582	34.7
133.06471	4.1
133.08595	3.0
133.10135	54.6
135.08046	8.4
135.11716	17.6
136.06181	7.7
137.09633	2.8
137.82315	1.8
141.06996	4.3
143.08557	9.4
145.06471	4.0
145.10121	28.8
147.07991	3.1
147.11690	28.4
149.09630	13.7
149.13229	9.9
151.11203	5.9
155.08559	5.3
157.10136	8.3
159.08109	2.7
159.11687	18.3
161.09604	3.8
161.13234	11.4
163.11151	6.5
165.09163	3.4
165.12814	3.3
169.10135	3.8
171.11626	9.3
173.04482	2.0
173.13264	8.9
175.11147	4.7
175.14783	5.5
177.12704	6.3
179.14357	14.2
183.11703	3.9
184.07408	3.3
185.13245	5.3
187.11165	3.7
187.14789	3.2
189.11174	3.0
189.12735	2.4
195.13762	3.8
196.12534	2.1
197.13321	5.5
199.14734	3.6
205.12326	2.2
207.42989	1.8
209.13255	3.7
211.14827	3.1
219.17305	2.7
221.13409	2.2
223.13263	5.3
227.12770	3.9
233.19016	2.0
239.18002	4.7
241.19542	4.8
247.20657	2.9
253.14450	3.6
255.15860	3.9
257.18958	9.8
259.20569	16.8
269.17368	14.4
273.18427	4.6
275.20068	85.7
276.20413	2.6
279.15952	2.3
291.19556	33.1
293.21124	7.6
315.23276	2.8
331.22885	2.0
333.24167	17.8
335.25964	2.7
349.23734	53.6
365.23193	13.1
367.24655	2.9
396.70175	2.2
445.31323	1.9
454.76407	2.0
503.33151	3.1
527.36694	2.2
529.35254	21.0
543.36859	94.0
544.36823	4.9
581.92578	2.7
605.41760	2.9
623.33453	2.9
623.43024	42.1
641.44550	9.8
687.40173	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	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	3.1
65.03932	6.3
67.05505	97.4
69.03411	7.4
69.07070	29.7
70.06596	55.8
71.04976	8.4
71.08637	2.0
71.50394	3.1
79.04797	2.3
79.05493	81.3
81.03426	12.9
81.07058	100.0
83.01318	4.6
83.04985	18.0
83.08614	18.8
85.02896	5.4
85.06540	6.2
87.04449	5.6
91.04911	3.9
91.05482	77.1
93.07046	89.1
95.04968	19.4
95.08606	63.7
97.02893	5.7
97.06521	6.2
97.10173	9.0
99.04440	3.8
103.05429	3.0
103.69086	2.0
105.07033	72.3
107.04977	13.1
107.08599	50.0
109.06542	10.2
109.10159	44.8
109.32751	2.1
111.04440	7.6
111.08063	8.0
115.05431	3.4
116.07087	75.2
117.07014	26.6
119.08585	49.3
121.06489	7.1
121.10139	29.6
123.04479	2.2
123.08043	10.3
123.11732	9.0
125.05945	2.6
125.09637	5.4
128.06227	5.3
129.05502	2.4
129.07007	13.9
130.07805	2.0
131.08568	28.3
133.06512	4.6
133.10136	53.6
135.08098	10.5
135.11700	28.9
136.06163	4.9
137.09573	5.5
141.07008	4.5
142.29211	2.0
143.08566	10.2
144.27724	1.9
145.06511	3.3
145.10120	28.9
147.08008	5.5
147.11684	24.6
149.09590	8.2
149.13257	7.0
151.11194	17.1
153.09140	2.5
153.12723	4.0
155.08499	3.2
157.10173	10.0
159.08038	6.4
159.11697	17.0
161.09569	5.5
161.13271	13.6
163.07509	3.1
163.11162	22.9
163.14755	2.5
169.10098	3.9
169.12227	2.7
171.11646	9.9
173.09619	4.6
173.13249	11.0
175.14795	7.0
181.10098	1.9
181.12178	6.7
183.11717	4.3
185.13264	6.1
187.11314	2.2
187.14856	5.0
191.10550	2.2
193.12320	2.1
197.13307	3.2
199.14915	3.4
209.11713	7.8
215.12762	2.8
219.17690	2.4
222.27333	1.9
227.12753	13.3
231.20979	2.5
241.19511	9.2
243.21107	2.9
245.18826	3.0
253.14291	23.2
257.19174	2.9
259.20560	20.5
261.18631	2.4
261.22147	8.2
263.20059	3.1
273.18439	10.7
275.20047	4.9
277.21677	3.1
283.15414	29.1
289.18082	12.2
291.19559	9.8
297.22211	2.4
307.18936	4.1
311.14758	1.9
315.23282	2.9
317.24561	2.6
333.24133	19.0
335.25818	88.0
336.26047	3.6
347.22290	3.6
361.14764	1.9
363.21576	5.9
365.23233	17.3
381.22763	18.5
437.30563	2.0
451.32397	2.4
455.31760	2.3
487.34525	2.4
511.34332	6.1
513.37158	2.8
525.35913	3.4
529.35101	6.8
531.38239	4.7
543.36859	63.8
544.37292	2.2
605.41620	7.3
623.42908	29.6
641.44049	41.9
749.47034	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	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	2.1
65.03913	3.6
67.05505	60.3
69.03423	11.8
69.07068	39.2
71.04988	4.3
71.50480	2.3
79.05495	63.5
81.03423	11.8
81.06596	3.3
81.07056	56.2
83.04993	8.8
83.08613	16.9
85.02902	3.5
85.06522	3.1
86.09664	1.8
87.04446	7.6
88.32955	1.8
91.05482	66.5
92.05819	3.1
93.07041	59.3
94.85667	1.7
95.04957	14.7
95.08606	36.8
97.02905	10.8
97.06515	8.7
97.10172	22.9
99.08100	2.6
103.05402	2.7
105.07035	66.1
107.04937	11.8
107.08609	33.7
109.06519	7.7
109.10156	20.8
111.08081	4.5
115.05427	3.3
117.07018	20.9
119.04955	2.3
119.08582	53.7
121.06496	7.1
121.10139	23.7
123.08058	3.7
123.11710	4.2
125.09621	16.6
128.06229	4.5
129.07040	15.3
130.07751	2.2
130.08679	1.9
131.08569	33.2
133.06483	4.8
133.10121	40.5
135.08043	7.1
135.11687	13.6
136.06158	4.7
137.09584	1.9
141.06978	3.8
142.07817	4.9
143.08569	14.1
145.06480	2.5
145.10117	24.9
147.08034	6.8
147.11694	30.5
149.09619	5.0
149.13293	8.9
151.11203	3.4
153.09059	2.2
155.08551	6.3
157.10138	17.2
159.11702	17.8
161.09578	3.2
161.13235	18.5
163.11168	2.9
163.14864	2.5
168.09355	1.8
169.10106	6.5
171.10347	2.2
171.11684	10.6
173.13194	8.5
175.11234	2.3
175.14796	8.0
177.12747	3.3
181.10117	2.7
183.11705	7.1
183.60571	2.1
184.07278	5.4
185.13255	9.9
187.11101	2.1
187.14783	6.0
189.11192	8.3
193.10152	2.1
195.11713	3.6
197.13278	6.1
199.14836	4.9
201.16295	3.1
203.14368	2.0
205.12073	2.4
209.13234	2.8
209.87914	1.7
211.14740	2.1
213.16309	3.6
223.13159	18.2
225.16377	2.3
227.12741	9.9
227.17821	2.7
231.17522	2.0
231.21017	4.1
239.17902	2.2
241.19482	17.4
242.28447	1.8
243.37825	1.6
249.14777	3.4
257.19019	4.2
259.20572	42.0
273.18552	10.0
275.20050	10.9
277.21423	1.7
283.20419	2.1
289.21497	2.1
291.19543	100.0
292.19882	1.8
315.23279	10.2
331.22485	2.6
333.24225	49.6
335.25681	4.3
349.23773	3.5
365.23233	40.0
366.23831	3.5
379.29996	4.5
513.36884	3.2
525.35974	9.9
543.37091	12.0
605.41730	8.9
623.33514	3.9
623.43060	57.1
624.42493	1.9
641.43427	7.6
731.44348	2.3
838.44702	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.5
61.02921	1.7
62.04907	1.4
65.03920	5.6
67.05505	82.8
69.03427	6.7
69.07067	26.8
69.30460	2.6
69.30859	10.1
70.06575	1.7
71.04983	7.1
71.08633	1.7
73.33563	1.4
77.03914	1.9
79.05492	73.9
81.03406	8.7
81.07055	86.5
83.04980	13.6
83.08617	12.5
83.64225	1.4
85.02895	2.4
85.06548	8.1
87.04449	2.5
91.05482	100.0
93.07043	69.6
95.04967	14.0
95.08607	42.3
97.02859	2.8
97.05950	1.6
97.06517	8.1
97.10150	5.2
99.04465	1.6
99.08076	2.2
103.00365	1.5
103.05456	3.4
105.04506	3.6
105.07033	93.6
107.04971	8.5
107.07883	2.9
107.08592	50.4
109.06533	9.1
109.10159	49.9
111.04429	1.6
111.08059	5.3
113.05998	2.6
115.05453	6.2
117.07013	24.0
119.08579	52.8
120.95699	1.4
121.06497	6.5
121.10149	19.9
123.08057	5.8
123.11691	10.4
125.09608	3.2
127.07558	2.7
128.06163	2.2
129.07002	18.5
130.07811	1.4
131.08566	32.2
133.06516	3.8
133.10129	85.8
135.08038	10.1
135.11674	19.3
137.09616	4.5
137.13232	1.6
139.11211	1.7
141.07014	2.0
142.07767	3.8
143.08568	13.9
144.09315	1.9
145.10123	25.8
147.08014	6.0
147.11685	31.3
149.09587	5.3
149.13272	6.8
151.11185	24.3
155.08556	5.2
157.10110	14.8
159.08032	3.3
159.11684	19.3
160.08911	1.4
161.09657	8.3
161.13257	19.6
163.11169	4.4
163.14807	2.5
167.08618	2.2
169.10118	5.1
169.12201	4.0
171.11694	12.5
173.09555	2.1
173.13254	9.6
175.11156	3.6
175.14798	5.3
177.12688	2.3
179.10733	2.5
181.10156	2.9
183.11635	3.3
184.07338	1.6
185.09619	2.3
185.13248	10.4
187.11250	2.2
187.14775	5.5
189.12689	2.2
193.15948	1.8
195.11659	3.9
197.13318	3.5
199.11082	1.3
199.14827	5.8
201.16336	1.7
202.39523	1.6
209.13223	2.7
211.14760	3.2
213.16449	4.1
215.12746	2.5
215.18004	2.1
223.14853	2.3
225.16461	1.7
227.12682	1.7
227.17973	3.4
231.21104	4.7
237.16376	2.3
239.17952	1.7
241.19470	15.4
245.18918	3.4
253.14345	66.4
255.17543	2.2
257.18945	4.7
259.20581	46.5
261.22086	2.1
263.20087	3.0
273.18552	12.8
275.20016	3.1
277.21536	1.6
283.15561	1.5
289.17957	6.0
291.19562	17.1
313.21725	2.0
315.23166	8.0
333.24243	41.4
335.25717	14.0
347.22278	4.2
353.28387	2.1
363.21686	4.5
365.23233	23.1
419.29507	2.7
437.30206	2.5
455.31308	5.7
499.34619	1.6
501.35873	2.5
511.34250	11.1
515.37347	2.3
529.34943	18.2
531.38141	5.1
543.36731	2.1
549.39087	4.3
595.43549	2.1
605.41931	8.0
623.33319	2.4
623.43042	37.8
624.43121	2.8
641.44446	7.8
739.48846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.1
65.99196	1.8
67.05507	57.6
69.03423	7.9
69.07067	17.6
70.06857	7.6
71.05000	3.7
79.05496	56.9
81.03391	4.0
81.07058	43.8
83.04969	6.5
83.08626	32.7
85.02914	2.4
85.06547	3.3
86.09697	2.9
91.05479	84.0
93.07043	42.7
95.04971	6.9
95.08598	25.1
96.08965	3.1
97.02879	3.2
97.06555	2.6
97.10170	64.1
103.05489	3.3
105.04484	2.3
105.07032	46.1
106.02687	2.3
107.04955	4.6
107.08590	43.1
109.06515	4.2
109.10152	11.8
111.08056	3.9
115.05468	7.5
116.07159	2.1
117.07018	44.1
119.08585	100.0
121.06507	4.7
121.10110	10.4
123.04465	3.3
123.08016	2.3
123.11716	3.0
125.09629	54.3
128.06221	3.0
129.07011	12.0
130.07797	2.3
131.08569	23.3
133.10138	35.3
135.08070	16.2
135.11710	8.5
136.06155	2.1
137.09630	2.6
142.07803	3.2
143.08551	16.7
143.10728	1.6
145.06491	22.9
145.10117	20.3
147.08040	6.4
147.11688	27.3
149.09627	3.4
149.13268	6.2
153.09065	4.9
155.08577	5.1
157.10126	8.9
159.08012	11.3
159.10524	1.9
159.11693	13.4
161.09648	2.4
161.13249	14.2
163.07570	3.4
169.10135	6.8
171.10159	6.4
171.11714	11.9
173.13243	7.0
175.14812	6.3
181.10057	2.4
183.11703	3.4
184.07332	2.7
185.13258	7.0
187.14917	2.8
189.11226	40.8
189.12668	1.6
192.98615	2.1
193.10083	3.1
197.13245	4.4
199.14833	3.2
209.13248	2.3
210.13892	1.9
213.16389	2.2
216.13046	2.2
225.16371	3.1
227.12799	56.9
231.21101	3.3
235.14922	2.0
241.19585	17.2
243.17424	3.3
253.15854	4.2
257.18997	4.1
259.20578	47.2
271.16913	45.8
273.18457	4.0
275.20148	3.4
289.17966	16.7
315.23148	10.1
333.24274	30.4
335.25897	3.3
336.26501	2.2
345.20599	6.9
363.21664	19.3
365.23184	3.0
377.28262	2.8
377.59280	2.2
411.28882	3.9
429.30032	4.4
448.53732	2.3
485.32550	19.3
503.33588	22.6
529.36835	5.4
603.40454	12.0
621.31683	3.8
621.41473	64.9
622.41608	2.2
639.42493	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	836.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	3.7
60.56668	1.4
62.03220	1.5
65.03924	4.8
67.05503	63.3
69.03423	3.1
69.07067	34.3
70.65186	1.3
71.08631	12.3
71.10570	1.6
73.02905	1.5
74.28562	1.2
79.05016	1.9
79.05491	56.6
81.03426	13.4
81.07053	83.7
83.04964	12.5
83.08617	10.6
85.02892	2.1
85.06525	5.4
85.10192	6.8
86.10505	2.1
87.04469	3.4
89.06023	15.9
90.06373	1.8
91.05479	81.6
93.07040	54.3
93.07642	2.2
95.01340	10.6
95.04972	14.6
95.08605	41.5
96.08997	1.2
97.06532	35.7
97.10143	4.5
99.04463	1.6
103.05426	3.8
105.07027	100.0
106.07334	1.7
107.04943	25.4
107.08591	42.2
109.06519	8.8
109.10154	38.0
111.08051	5.2
113.09657	1.7
114.04349	1.2
115.05475	2.4
117.07008	21.4
119.05003	1.6
119.08578	43.6
121.06502	10.6
121.10115	11.5
123.04433	4.2
123.08043	8.8
123.11705	7.4
125.09610	3.5
127.07545	1.4
128.06212	3.1
129.07005	5.0
130.07706	1.5
131.07057	1.6
131.08560	28.2
133.06461	5.0
133.08650	9.2
133.10124	76.7
135.08041	9.7
135.08943	2.0
135.11638	6.9
137.09608	4.7
139.07523	3.5
141.06926	1.9
143.08553	6.3
145.06499	3.4
145.10121	22.1
147.08031	4.3
147.11679	19.0
149.09601	13.3
149.13237	3.1
151.11188	23.3
155.08508	3.3
157.10104	5.2
159.08023	5.1
159.11668	11.1
161.09627	7.4
161.13269	5.1
163.11186	6.5
165.09102	2.9
169.10101	3.4
169.12195	3.3
171.11728	5.2
173.13210	4.3
175.11160	2.5
177.09081	3.1
177.11273	4.1
177.12711	3.8
179.10655	1.8
179.14299	12.1
183.11601	3.3
184.07343	5.8
185.13280	3.0
187.11191	4.3
189.12703	2.5
197.13266	2.2
205.12173	1.9
213.22043	1.4
215.12766	2.6
229.19481	1.9
239.17967	1.8
247.20561	3.5
251.12784	4.4
253.14340	71.2
255.17409	3.1
257.18942	6.5
273.18500	22.2
275.20059	99.5
276.20438	3.1
279.15915	1.7
291.19550	27.5
293.21075	4.4
309.20560	2.2
329.21042	2.3
335.25772	1.7
347.22202	14.5
349.23749	46.6
365.23203	36.8
472.00217	1.6
527.33368	2.5
536.46472	1.4
543.32922	2.6
545.34711	12.5
621.41559	16.8
639.42542	93.3
640.42377	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	836.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	3.2
65.03925	5.6
65.31139	1.3
67.05505	65.1
69.03419	3.5
69.07066	31.9
69.72161	7.5
71.08627	8.6
77.03905	1.7
79.05491	57.0
81.03417	14.2
81.07054	79.3
83.04983	14.8
83.08622	9.5
85.06528	5.3
85.10166	4.5
87.04478	2.1
89.06021	4.1
91.05477	86.7
93.07043	50.6
93.07641	2.3
95.01334	8.8
95.04977	14.6
95.08606	38.4
97.02890	2.9
97.05938	2.5
97.06531	35.0
97.10167	5.3
98.20856	3.0
103.05475	3.7
105.04524	3.1
105.07030	100.0
107.04952	22.7
107.08596	37.0
109.06503	8.8
109.10159	30.0
111.04479	1.8
111.08067	5.5
115.05449	2.5
116.06232	1.5
117.07015	23.1
119.04966	1.8
119.08579	42.3
121.06496	12.3
121.10156	10.4
123.04420	3.7
123.08070	7.0
123.11697	4.2
125.09608	4.0
128.06189	2.1
129.06982	7.8
131.08578	27.0
133.06485	6.5
133.08514	3.0
133.10133	72.4
135.08055	8.8
135.11697	9.0
137.09633	4.8
139.07498	3.0
141.06906	2.4
143.08521	4.0
145.06459	4.3
145.10104	20.7
147.07961	3.2
147.11708	19.1
149.09634	15.7
149.13239	5.1
149.95235	1.4
151.11174	15.2
155.08559	3.2
157.10127	5.6
159.08041	3.5
159.11717	12.4
161.09601	6.4
161.13278	8.0
163.11211	6.3
165.09166	3.3
165.12749	1.9
169.10109	3.6
169.12213	2.6
171.11674	5.8
173.09627	1.6
173.13223	4.4
175.11133	5.8
177.09116	4.5
177.12758	3.3
179.10764	1.9
179.14284	13.6
183.11633	2.7
184.07318	3.1
185.13231	1.7
187.11151	5.2
187.14853	1.8
189.12704	3.9
193.12199	1.8
195.13751	1.8
197.13333	2.0
199.14786	1.7
204.03294	1.5
215.12772	1.7
220.57323	1.4
223.13321	2.6
239.17978	2.2
245.18886	3.1
247.20659	2.5
251.12746	4.0
253.11688	2.9
253.14357	52.8
255.17360	1.9
257.18982	5.6
263.20010	2.9
273.18472	29.1
275.20056	83.7
276.20352	2.7
291.19528	30.1
293.20963	4.7
309.20511	1.8
329.21045	3.4
347.22131	14.8
349.23730	37.2
365.23221	32.3
422.78958	1.7
443.19342	1.6
452.99783	1.7
527.33344	3.0
543.33289	1.8
545.34888	7.0
621.41333	17.2
622.42114	1.9
639.42535	83.7
640.42688	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	834.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07390	0.9
58.91694	0.7
59.04711	1.3
59.05000	26.0
62.66626	0.7
67.05511	1.1
69.03418	1.0
69.06652	0.7
69.07059	2.6
69.36465	2.2
69.36887	4.6
71.08631	90.7
73.02902	1.4
73.06556	3.8
83.08593	1.5
85.10182	76.0
86.09699	2.5
87.04466	18.1
87.13486	0.7
89.06030	100.0
91.07561	1.1
91.75491	0.8
95.08574	0.8
97.10165	3.5
99.11723	14.7
101.06017	1.4
101.09673	2.3
103.07584	1.6
111.11678	1.5
113.05972	1.1
113.13296	4.9
117.09134	7.9
119.92667	0.8
124.99948	1.3
129.09091	0.8
130.08652	1.9
131.07072	7.1
133.08601	75.3
134.08911	1.0
155.17947	10.5
157.08600	0.9
161.11690	1.2
175.09637	3.6
177.11224	28.8
184.07298	6.8
185.07727	0.8
191.12833	0.8
213.22125	12.8
214.22398	1.0
219.12224	2.2
221.13782	4.9
239.14888	0.9
249.15038	0.8
265.16132	0.8
271.26373	4.8
283.17514	1.6
301.05920	0.8
309.18924	1.3
353.21762	1.0
397.24640	0.8
547.33203	5.9
560.59058	0.9
680.51288	0.8
834.60834	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	834.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.0
62.67390	0.7
65.03928	1.9
67.05506	32.7
69.03424	2.3
69.07069	8.6
71.04982	1.1
71.49792	1.6
73.02908	3.3
73.12670	0.8
73.66243	0.7
73.87341	0.9
79.05495	15.2
81.03417	3.4
81.07055	21.8
83.08625	3.7
85.02907	9.5
85.06554	1.3
86.27866	0.8
91.03968	5.8
91.05474	8.0
93.07043	19.2
95.04971	2.1
95.08607	100.0
96.08925	1.5
97.02882	5.0
97.06534	3.8
97.10136	1.4
103.03922	1.0
105.07027	7.1
107.08593	9.2
109.10158	6.5
111.08059	1.0
113.09637	1.0
117.07044	2.0
119.08602	4.3
121.10155	7.3
123.08061	3.5
123.11691	2.0
127.03913	2.5
131.08562	5.0
133.10136	5.5
135.11671	4.9
137.13287	1.1
141.09062	6.3
145.04939	3.2
145.10110	2.6
146.06316	0.8
147.11693	3.0
149.02278	1.2
149.13269	4.4
159.10179	8.7
159.11681	3.1
161.13257	1.7
163.06046	3.7
163.14876	1.2
173.13309	1.8
177.16359	0.9
184.07318	1.8
213.11240	5.0
215.12793	65.2
216.13051	1.0
222.75720	0.9
243.21082	4.2
261.22208	16.4
267.08981	1.1
284.29468	1.0
285.10181	1.5
317.24686	2.8
320.63449	1.1
335.25800	45.5
350.67401	1.2
376.66449	1.0
383.29568	1.0
457.32718	1.1
463.73145	0.9
475.34204	31.0
493.35107	5.5
583.66077	1.0
661.69098	1.0
834.40619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	41.6
67.05490	1.9
69.07066	2.7
71.08630	100.0
71.49686	0.8
71.99741	0.7
72.08971	1.0
73.06559	1.7
79.05500	1.7
81.07049	1.3
83.08619	4.2
85.10182	98.2
86.09711	2.0
87.04465	14.6
87.08085	0.7
88.38434	0.7
89.06030	68.5
91.14964	0.7
93.07064	2.0
97.10165	1.6
98.98477	1.1
99.11731	9.1
101.06020	1.4
101.09657	4.3
101.60115	0.7
103.07583	2.1
105.07073	0.9
107.07051	1.1
109.10133	0.8
111.11762	0.8
113.05987	0.9
114.65656	0.8
117.09131	18.8
125.00025	1.8
128.31711	0.7
129.09129	1.1
130.08623	1.5
131.07028	3.8
133.08603	51.9
141.16376	9.6
147.10158	0.8
148.39879	0.7
175.09656	3.6
177.11220	20.5
184.07344	8.1
186.07631	0.9
188.13310	0.7
199.20569	21.3
200.41409	0.7
219.12259	1.2
221.13878	4.0
226.86359	0.8
232.35376	0.8
239.14844	1.4
240.23325	1.0
257.24759	23.8
265.16519	0.9
267.63089	0.7
283.17508	1.8
296.63327	0.9
309.18863	1.2
335.25690	0.9
503.30563	6.6
834.43542	0.8
834.61456	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	834.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.8
65.03938	1.3
65.08821	0.6
67.05508	34.7
68.05853	0.8
69.03430	1.5
69.07071	7.6
69.24467	5.6
70.06590	3.2
71.04993	1.1
73.02908	2.2
76.92027	0.7
77.03930	0.7
79.05494	16.5
81.03427	2.4
81.06589	1.2
81.07062	23.6
83.04970	1.1
83.08614	2.8
85.02908	8.7
85.06544	1.3
88.07645	1.0
91.03967	4.7
91.05477	9.6
93.07046	19.3
95.04996	1.6
95.08611	100.0
96.08946	1.4
97.02907	5.8
97.06539	4.0
97.10154	1.7
98.20755	1.4
99.08091	1.2
102.09212	1.0
103.03971	1.0
105.07040	6.9
107.04961	0.8
107.08602	11.5
109.06536	1.0
109.10167	7.8
111.08047	0.6
113.09728	0.7
116.07102	2.8
117.07037	2.5
119.08588	5.6
121.10152	9.5
123.08070	3.3
123.11700	3.1
127.03905	2.0
131.08537	3.7
133.10135	5.1
135.11700	6.2
137.13242	1.0
141.09134	4.9
143.08578	0.8
145.04999	3.9
145.10092	3.4
147.11707	3.2
149.02408	4.3
149.13281	3.5
159.10199	7.3
159.11703	3.2
161.13304	2.3
163.06049	2.7
163.14822	2.2
171.11790	1.0
173.13271	2.8
175.14856	1.1
177.16295	0.9
184.07410	1.4
187.14873	1.5
193.05035	2.4
199.16869	0.8
205.15921	0.7
211.26402	0.6
213.11258	3.6
215.12796	55.7
216.13112	0.8
233.12875	0.6
243.21146	4.7
261.22141	14.0
284.29614	2.7
317.24777	2.3
335.25818	48.7
336.26111	1.6
365.28458	1.0
375.05353	0.7
383.29248	1.6
385.09100	0.8
401.30695	0.9
457.33310	1.6
460.77130	0.7
475.34229	43.0
476.34503	1.5
493.35263	4.9
577.13037	1.0
834.40851	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	833.2144
Annotation	Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside
Peak:m/z	Relative Intensity
65.03948	1.5
68.99789	0.6
69.03117	0.2
69.03433	1.9
69.84340	0.6
69.84736	0.4
70.06592	1.2
71.65046	0.2
72.08166	0.3
73.02918	0.3
77.03931	0.5
80.36174	0.2
81.03417	4.1
81.07012	0.3
84.08139	0.3
85.02914	3.4
86.09689	0.5
87.04455	0.2
91.05485	16.0
97.02899	1.3
98.21463	0.2
99.04438	0.8
103.05451	0.3
105.03386	0.5
105.07036	0.3
107.04932	0.3
109.02888	2.0
110.06036	0.2
111.00826	0.5
117.03386	0.3
119.04947	22.5
120.05277	0.3
121.02854	0.9
121.71643	0.2
123.04420	0.3
127.03944	2.2
129.03339	0.6
129.04436	0.2
131.04929	0.3
132.02072	1.1
133.02782	0.3
135.04410	0.4
136.05197	0.3
136.07550	0.3
137.02344	5.9
137.03381	0.3
145.02888	0.6
145.04987	0.3
147.04416	20.5
149.02409	1.1
153.01842	2.3
157.03958	2.5
161.06026	0.4
162.03131	0.3
163.03944	1.1
164.04680	0.5
165.01878	1.0
165.09132	0.2
167.07072	0.3
173.05969	0.2
175.03911	38.9
176.04292	0.5
177.05496	0.3
179.07034	2.0
183.02992	0.3
191.03445	0.3
192.04187	0.6
195.02872	0.3
201.05455	1.0
207.06534	100.0
208.06870	1.7
215.03259	0.4
225.07472	0.4
229.04974	2.1
247.06154	0.6
257.04395	1.8
274.04691	0.4
282.84735	0.2
303.04999	58.2
304.05264	1.3
309.09653	0.2
345.05823	0.3
351.10712	6.0
351.14691	0.4
369.11804	7.2
370.12057	0.4
400.47504	0.2
669.70142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97508	1.4
58.06312	3.3
58.06601	65.1
59.06120	2.5
61.02921	4.1
65.03934	2.3
67.05184	2.0
67.05506	25.5
67.05850	2.6
67.51327	1.5
69.03423	2.9
69.07071	9.9
70.06590	3.0
79.05078	1.8
79.05497	25.0
80.05019	2.5
81.07058	22.9
82.06579	5.3
83.08627	2.3
84.04497	4.8
84.08135	6.5
85.02901	5.5
91.03961	2.7
91.05482	22.4
93.07047	19.6
94.06571	15.9
95.04973	3.4
95.07359	2.3
95.08600	15.4
96.08141	2.8
97.02898	3.4
97.06548	1.8
97.10164	2.2
105.07009	12.8
106.06595	3.3
107.08581	10.7
108.08153	1.7
109.10157	6.6
110.09663	2.8
112.07581	3.3
117.07026	6.0
119.08591	8.4
120.08141	2.3
121.10146	6.7
122.09683	3.6
123.11657	1.8
124.11220	2.3
129.53685	1.3
131.08582	7.5
132.08022	1.7
133.10141	5.9
134.09660	3.3
135.08125	1.5
135.11682	4.6
136.11160	2.4
145.10150	4.0
145.18420	1.7
146.86496	1.4
147.07976	1.6
147.11627	2.7
148.11110	1.5
152.10747	1.8
159.11713	2.5
164.14340	4.2
180.13661	1.5
220.17062	2.3
229.02596	2.1
252.30127	1.6
261.22150	1.6
300.23380	1.6
318.24295	6.1
335.25854	10.6
375.16855	1.6
392.22803	1.4
392.27954	5.3
410.29004	2.3
532.39978	3.0
572.42773	2.2
635.46082	2.0
652.49017	5.1
670.50415	100.0
671.50879	8.4
769.28839	1.6
777.56543	1.7
814.54852	3.6
832.55743	15.2
856.11359	1.8
857.39020	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	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.6
67.05507	4.6
69.03432	3.1
69.07078	2.1
71.01353	0.5
71.08603	0.6
71.50276	0.6
73.02915	3.6
77.03905	0.5
79.05492	5.6
81.03419	3.0
81.07058	3.7
81.99526	0.5
83.04974	0.8
83.08629	0.8
85.02914	4.6
86.09721	1.5
89.06051	0.7
90.32634	0.5
91.03973	2.3
91.05476	4.9
93.07045	6.4
95.04970	1.5
95.08604	3.3
96.48489	0.5
97.02895	3.6
98.98447	0.5
99.04441	0.8
101.02391	1.2
103.86391	0.4
105.07021	3.0
107.08597	2.3
109.02898	0.8
109.10187	1.2
111.08140	0.4
117.07038	1.2
119.08595	2.9
121.10134	2.1
125.00024	1.7
127.03936	1.5
129.07025	0.8
131.08598	1.6
133.10129	2.3
135.11736	1.3
139.03764	0.5
143.08591	0.9
145.04984	0.5
145.10158	1.0
147.11723	1.5
157.10172	0.7
159.11725	0.7
171.11705	0.7
184.07350	6.3
185.04276	1.4
185.07767	0.7
193.12288	0.9
211.13403	1.0
243.08430	3.8
259.20486	0.6
301.08887	2.1
313.09042	0.8
313.27557	0.9
315.10666	1.2
317.20950	1.0
373.11124	0.4
373.23578	0.6
465.21075	1.7
495.22052	0.5
523.40057	0.7
525.23621	1.3
535.28784	12.1
536.28967	0.5
607.30841	1.6
635.34393	0.5
667.43793	0.6
691.40118	0.5
759.43298	0.6
829.50696	100.0
830.50928	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.7
63.92102	0.3
65.03956	0.4
67.05183	0.4
67.05508	5.2
69.03432	3.0
69.07065	1.1
71.01359	0.7
71.04995	0.7
73.02916	3.8
79.05491	3.5
81.03422	1.5
81.07056	4.5
83.04976	1.0
83.08609	0.6
85.02907	4.1
85.06568	0.3
86.50595	0.3
87.04469	0.4
91.03965	2.3
91.05471	3.3
93.07043	3.9
95.04975	0.5
95.08615	3.1
97.02893	4.0
98.20740	0.7
99.04457	0.7
101.02390	1.5
103.03948	0.6
103.94431	0.3
105.07034	2.9
107.04948	0.5
107.08597	2.8
109.02908	0.6
109.06518	0.3
109.10136	1.8
117.06982	0.5
119.08600	1.1
121.10155	1.1
123.08072	0.4
123.11712	0.7
125.97461	0.3
127.03925	0.9
131.08601	1.0
133.10139	2.3
135.11732	0.7
139.80838	0.3
145.10149	0.8
147.11705	0.4
151.11209	0.8
169.80798	0.3
184.07410	0.4
185.04315	0.5
243.08395	3.2
285.41876	0.3
313.17847	0.4
331.18832	2.3
335.25839	0.4
350.33926	0.3
355.42456	0.3
371.17004	0.3
387.21445	0.7
451.19312	0.4
519.29407	4.7
549.26691	5.5
549.34467	0.5
809.48151	0.8
827.49139	100.0
828.49292	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	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.9
67.05514	3.7
69.03426	3.4
69.07076	2.4
70.56657	0.8
70.56992	1.1
73.02918	2.8
77.49123	0.5
79.05495	5.0
81.03419	1.6
81.07056	4.3
83.05006	0.5
83.08625	0.8
85.02904	3.7
86.09720	1.3
91.03972	2.0
91.05481	3.9
93.07043	4.1
95.04976	1.2
95.08613	2.9
97.02875	2.8
97.06525	0.8
98.20886	0.6
99.04495	0.5
101.02396	1.3
105.07019	3.9
107.04976	1.2
107.08607	1.4
109.10159	1.4
116.07115	0.5
117.07056	1.2
119.08577	3.4
121.10179	1.6
124.99997	1.1
127.03933	1.3
129.07036	0.7
131.08591	1.3
133.10136	2.3
135.11711	1.0
135.18126	0.5
145.10170	1.3
147.11725	1.3
159.11760	0.8
179.14517	0.5
184.07336	4.5
185.04269	0.6
185.07747	0.7
203.05244	0.8
229.14410	1.1
243.08386	2.9
275.20200	0.5
301.08963	1.0
313.27411	0.8
314.27805	0.9
315.10733	0.9
315.19275	4.1
335.49329	0.4
371.17380	0.5
371.21893	1.2
371.88327	0.6
373.10931	0.6
465.20837	1.2
468.37766	0.5
533.27191	8.8
535.28815	7.9
546.06329	0.5
605.29523	1.1
689.39093	0.7
827.49182	100.0
828.49457	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	827.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.9
71.50422	1.0
75.49937	1.1
75.59863	1.0
77.77419	0.9
81.07063	1.2
82.96246	0.9
86.09699	1.5
104.54982	0.9
143.87370	0.9
163.29399	0.9
184.07379	3.6
261.02805	1.1
367.71014	0.9
626.32178	0.9
793.30139	1.1
827.47046	100.0
828.47626	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	826.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.3
60.08151	0.6
61.02927	8.9
64.46138	0.5
65.03905	1.4
67.05505	55.4
69.03391	1.9
69.07066	5.5
69.25603	3.9
71.04977	3.0
71.07361	0.5
71.08634	15.6
73.02922	2.9
74.35660	0.4
79.05457	1.9
81.03388	1.1
81.07053	13.7
83.08620	8.6
84.08123	1.1
85.02909	11.3
85.06508	2.1
85.09743	0.6
85.10183	8.0
86.09691	2.9
87.04465	1.0
87.09978	0.5
89.06025	1.7
91.03960	7.8
91.05477	3.4
93.07049	3.0
95.08605	14.8
97.02892	6.1
97.10183	2.4
99.04438	0.8
99.08074	0.8
103.07569	0.9
107.08562	1.4
109.10155	60.3
110.10463	0.7
111.08081	2.2
111.11732	0.7
116.07072	0.6
119.08563	4.3
123.11681	2.1
124.99957	2.0
125.09546	0.5
127.03917	2.7
127.11186	0.5
130.08595	1.7
137.09608	2.3
137.13266	0.9
145.04973	2.9
155.10663	4.6
162.07610	0.5
163.06046	3.7
173.11728	14.1
184.07326	8.4
229.14345	100.0
230.14731	1.6
239.23666	1.9
239.42294	0.5
257.24744	1.7
313.27362	73.4
314.27698	2.4
316.81323	0.5
322.32306	0.6
373.18732	0.7
467.37341	64.5
468.37964	2.2
468.83191	0.5
481.80304	0.6
611.41418	0.7
826.47809	1.8
843.24500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.4
67.05511	5.8
69.03418	1.8
69.07072	4.9
70.06590	0.5
73.02916	2.2
79.05493	4.6
81.03423	2.0
81.07059	4.6
83.04990	0.6
83.08630	1.0
84.08148	1.9
85.02911	2.7
86.09718	0.8
91.03953	1.3
91.05479	6.0
93.07048	3.3
95.01347	1.5
95.04948	1.3
95.08615	3.6
97.02909	2.3
97.06526	1.2
99.04478	0.8
101.02368	0.9
105.07035	5.1
107.04949	2.0
107.08588	1.0
109.02855	0.8
109.10159	2.0
117.07037	2.1
119.08577	3.0
130.08624	3.1
131.08582	2.1
133.10097	2.5
135.11705	1.0
145.10147	2.1
147.11708	1.1
149.09673	1.6
149.13283	0.7
154.12401	0.5
159.11743	0.8
161.13206	0.7
163.11206	0.8
179.14348	1.2
184.07347	3.0
203.05183	0.7
229.14409	1.9
232.68697	0.5
243.08348	3.0
260.55405	0.5
275.20044	1.0
275.30023	0.6
292.63321	0.6
313.27319	0.7
315.19363	5.3
371.21997	2.2
467.37622	1.0
496.02814	0.5
533.27240	17.4
534.27515	1.1
605.03162	0.5
663.42511	1.0
754.62866	0.6
825.47546	100.0
826.47522	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	825.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.2
60.08165	0.4
61.02924	5.0
61.51579	0.2
65.03939	0.3
67.05505	5.9
67.30910	0.2
69.03433	3.4
69.07070	1.4
70.06581	0.6
71.01350	0.5
71.04996	0.6
73.02917	4.3
79.05489	4.4
81.03402	1.8
81.07059	5.4
83.04991	0.6
83.08624	0.7
85.02908	5.0
86.09716	1.7
87.04462	0.5
89.64563	0.2
91.03957	3.0
91.05475	3.2
93.07043	4.3
95.04984	0.6
95.08605	4.2
96.08972	0.3
97.02889	4.8
97.06551	0.5
97.10163	1.4
99.04461	0.9
101.02372	1.7
103.05470	0.2
105.07034	2.0
107.04969	0.4
107.08595	2.3
108.08891	0.3
109.02888	0.8
109.10146	1.6
115.03928	0.4
116.07121	0.8
117.07047	1.2
119.08577	2.9
121.06548	0.5
121.10171	1.3
123.11721	0.4
125.00020	1.4
125.09662	0.6
127.03926	1.4
131.08606	1.3
133.10159	0.9
135.08075	0.5
135.11671	0.9
141.06895	0.2
145.10149	0.6
147.11693	0.3
149.09637	0.4
149.13280	0.5
155.08603	0.4
159.08073	0.4
159.11705	0.4
161.13312	0.3
169.10342	0.2
177.49655	0.2
183.83548	0.2
184.07333	5.0
185.04272	0.6
189.11383	0.2
203.05440	0.4
203.23099	0.2
243.08423	1.9
261.22388	0.3
275.20193	0.4
276.20407	0.3
299.16388	0.6
301.08969	0.3
329.17230	14.3
330.17679	0.4
335.25836	1.6
336.26282	0.8
350.24197	0.3
369.15475	0.3
385.19843	0.7
426.45316	0.3
427.19284	0.2
493.35275	0.3
519.29425	3.8
547.25055	2.4
609.45575	0.3
610.45593	1.3
653.99554	0.3
781.77545	0.2
825.47546	100.0
826.47888	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	825.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.8
65.03942	0.7
67.05507	6.5
68.05837	0.3
69.03431	3.2
69.07076	2.5
70.06574	0.5
71.01365	0.4
71.04983	0.5
71.50196	0.4
71.50668	0.4
73.02919	3.4
79.05493	6.5
80.05843	0.8
81.03410	1.4
81.07055	6.0
83.05013	0.7
83.08633	1.8
85.02905	4.0
85.73741	0.4
86.09741	0.5
87.04472	0.4
91.03956	2.3
91.05485	5.6
93.07047	6.2
95.04949	0.6
95.08620	4.6
96.13072	0.4
97.02885	3.7
97.06564	0.8
97.10176	3.7
99.00887	0.5
99.04480	0.5
101.02396	1.3
105.04529	0.4
105.07026	2.8
107.05029	0.5
107.08604	4.4
108.08973	0.6
109.02871	0.9
109.06539	0.7
109.10159	2.0
116.07111	0.8
117.07053	1.7
119.08587	4.8
120.08999	0.5
121.06552	0.6
121.10152	1.4
123.11749	0.6
124.99964	0.4
125.09665	2.1
127.03963	0.7
131.08603	1.2
133.10139	1.3
135.08023	0.8
135.11731	1.7
143.08606	0.9
145.06503	0.4
145.10138	1.3
147.11739	0.7
149.09576	0.5
149.13284	0.6
159.08047	0.8
159.11693	0.7
161.13335	0.9
169.10187	0.3
171.10292	0.4
173.13275	0.5
184.07394	1.6
189.11241	0.8
203.05241	0.5
227.12848	1.6
228.13112	0.6
228.18037	0.4
243.08356	2.2
275.20245	1.3
276.20486	1.0
299.16330	1.0
300.48578	0.4
329.17258	9.5
330.17767	0.5
335.25894	3.3
336.26205	2.4
349.23871	1.6
350.24216	1.7
369.15424	0.5
381.42023	0.4
385.19864	0.8
506.34601	0.4
519.29602	2.4
547.25238	4.4
609.45135	1.0
610.45441	4.3
760.28369	0.4
825.47534	100.0
826.47937	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68349	2.0
61.02930	4.8
61.93310	2.2
65.03934	7.6
67.05505	94.8
69.03427	12.0
69.07064	25.6
69.17294	15.6
69.17715	8.5
70.06600	7.0
71.05001	3.9
77.03924	3.0
79.05492	93.4
81.03420	8.1
81.07054	82.5
81.07538	4.7
83.04976	6.0
83.08619	30.9
85.02903	6.5
85.06548	4.3
86.50657	2.1
87.04476	3.6
90.92715	2.0
91.03981	3.1
91.05481	57.3
91.22441	2.1
93.07042	68.3
95.04958	7.5
95.08603	45.7
95.09175	3.7
97.02869	4.8
97.06558	3.6
97.10168	63.6
105.07028	54.2
105.41180	2.4
105.63988	2.2
107.04956	7.8
107.08591	100.0
109.02909	2.9
109.06511	5.6
109.10159	29.9
111.08075	4.7
114.28635	2.1
115.05450	2.6
116.07107	7.0
117.07016	16.0
119.08582	28.7
121.06520	4.1
121.10137	27.3
123.08077	2.1
123.11706	6.4
125.00125	2.0
125.09630	59.7
127.03955	2.9
129.07018	5.3
131.08569	24.5
133.10130	32.1
135.08073	9.7
135.11736	17.1
143.08591	8.1
143.10661	2.8
145.06532	2.2
145.10141	23.5
147.11708	17.3
149.09612	8.3
149.13292	6.1
153.09123	4.1
157.10133	6.3
159.11707	15.7
161.13255	12.3
163.11168	2.4
163.14815	2.8
165.70119	2.1
169.10143	2.4
171.10182	6.5
171.11688	7.9
173.11720	3.9
173.13248	9.9
175.11189	2.5
175.14792	3.5
176.77177	2.2
183.11751	2.8
184.07423	4.8
185.13228	4.2
187.14861	3.0
189.11211	35.9
197.13249	3.9
199.14883	3.5
211.14806	2.1
227.12782	99.0
228.12952	3.0
239.17950	4.8
243.21118	4.9
245.13890	4.3
257.19067	16.3
259.20621	7.7
261.22086	15.3
275.20065	67.0
277.21637	3.3
322.12839	3.0
329.17365	3.9
331.22760	6.0
333.24225	5.3
335.25818	82.3
336.26019	4.2
338.61185	2.4
349.23743	61.2
350.24097	3.2
351.25229	3.1
389.18118	7.9
440.88062	2.5
505.35028	10.0
517.40405	3.7
535.41510	3.2
547.25519	3.2
609.45111	80.0
610.44946	7.2
616.80383	2.4
627.46265	15.8
825.47382	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	5.5
60.01251	4.1
67.05510	58.2
69.07063	17.6
69.63699	16.0
69.64115	9.8
70.40233	4.5
71.08566	4.1
73.76432	3.6
79.05495	57.8
81.03452	5.1
81.07059	57.7
82.50923	5.2
83.08620	11.3
86.09716	16.4
89.23362	4.0
91.05489	59.3
93.07047	55.0
95.04949	8.0
95.08607	41.2
97.02892	6.2
97.06510	5.6
98.21568	4.1
105.07021	44.2
107.08604	32.9
109.06529	4.3
109.10155	17.1
117.07044	18.3
119.08582	35.5
121.10152	20.1
123.07985	4.6
125.00007	9.2
125.09531	4.2
128.06200	5.7
129.06982	15.6
131.08569	31.6
133.10144	29.4
135.08119	3.7
135.11731	15.2
135.64122	4.6
141.07018	9.8
143.08568	20.5
145.10121	28.8
147.11668	16.3
155.08531	11.8
157.10141	14.0
159.11673	24.4
161.13272	12.2
167.08516	5.1
169.10133	14.9
171.11736	13.7
173.13290	8.1
175.14857	7.7
179.36359	4.2
181.10150	4.8
183.11691	15.0
184.07338	50.1
185.13283	9.8
187.14854	8.0
195.11658	5.3
197.13255	12.3
199.14871	10.5
209.13266	9.7
211.14767	6.9
225.16231	7.5
227.17967	4.7
229.19667	4.7
296.94211	4.9
323.23892	5.2
340.02414	4.8
517.40430	10.8
535.41382	6.9
539.37537	5.9
570.35590	5.1
591.43829	5.2
609.45142	100.0
824.50122	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.9
65.03927	3.0
67.05506	83.7
69.03432	10.5
69.07068	25.9
69.25005	14.1
70.06593	22.1
71.04987	4.9
73.02927	2.8
77.03919	2.0
79.05495	84.8
81.03413	5.5
81.07058	72.0
82.07364	2.0
83.04985	7.9
83.08620	27.5
85.02892	7.1
85.06538	3.5
86.09685	1.8
87.04453	3.0
91.05480	46.5
93.07048	70.4
93.07638	3.5
95.04958	5.2
95.08607	49.0
97.02896	3.6
97.06528	4.7
97.09554	3.0
97.10172	51.5
99.04472	2.3
103.05461	1.8
105.04514	1.7
105.07040	45.2
106.00887	1.6
107.04937	5.9
107.08597	79.9
108.08882	1.7
108.45334	1.6
109.06512	3.8
109.10154	28.7
111.08060	2.6
116.07085	30.3
117.07024	11.4
119.06093	2.1
119.08582	29.2
121.06526	2.0
121.10155	25.0
123.11696	7.5
125.09628	45.2
126.89510	1.5
127.03913	2.9
128.06239	2.4
129.06992	2.7
131.08582	19.4
133.10133	23.8
135.08073	8.2
135.11684	19.0
137.09616	2.1
141.07016	2.0
143.08571	5.2
143.10617	1.9
145.10126	22.6
147.11681	17.8
149.09590	8.8
149.13252	9.3
153.09067	3.8
155.08504	2.8
157.10129	3.1
159.11723	13.1
161.13251	6.7
163.11232	2.3
163.14813	4.7
171.10222	3.8
171.11650	3.8
173.11806	2.0
173.13258	6.2
175.14836	3.1
177.12698	2.6
177.16324	1.8
183.11707	4.5
184.07347	4.4
185.13268	3.8
187.13309	1.7
187.14833	3.7
189.11211	22.4
197.13196	2.1
213.16452	2.8
227.12798	49.9
228.13116	1.7
229.19336	1.8
239.18025	2.8
241.19427	1.8
243.15678	1.8
243.21063	4.3
245.13754	5.9
257.19046	13.5
259.20517	3.4
261.22144	18.5
275.20065	37.9
277.21613	2.5
313.21774	1.8
317.24792	4.0
329.17337	8.9
331.22665	6.1
333.24304	3.8
335.25803	100.0
349.23746	45.1
351.25479	3.4
389.18066	4.2
487.33768	2.2
505.35294	23.7
519.28760	2.3
609.45148	92.5
610.45276	4.5
627.46436	8.5
636.27820	1.8
649.38910	6.0
825.47565	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15913	1.4
61.02934	2.9
65.03934	5.2
67.05508	86.6
69.03428	9.0
69.06738	2.3
69.07073	28.9
69.50476	9.7
71.04977	4.7
73.02924	1.7
79.05496	73.5
81.03436	10.4
81.07061	88.0
83.04977	10.8
83.08634	15.3
85.02888	4.3
85.06551	4.2
91.05485	51.5
93.07050	74.7
95.04980	7.0
95.08612	58.3
97.02883	3.7
97.06535	11.7
97.10174	5.1
99.04478	2.3
99.08089	3.2
103.05457	1.7
105.04517	2.3
105.07037	34.6
106.88769	1.4
107.04950	5.9
107.08595	41.0
108.25973	1.6
109.06521	5.9
109.10152	22.5
111.08077	4.6
113.09686	2.0
115.05428	2.0
117.07021	15.5
119.08582	24.7
121.06528	2.6
121.10146	24.0
123.07185	1.3
123.08078	4.9
123.11694	7.4
125.09607	3.9
127.03959	1.7
129.05486	1.9
129.06995	6.7
131.08565	19.9
133.10144	21.2
135.08115	2.9
135.11702	18.4
137.09642	3.6
137.13235	1.5
141.06967	1.7
143.08560	6.3
145.10126	16.2
147.11673	13.1
149.09627	8.2
149.13269	15.1
151.11223	2.4
155.08560	3.1
157.10153	6.4
159.11696	13.8
161.13287	7.9
163.11194	6.0
163.14769	3.6
169.10100	2.6
171.11694	2.9
173.04462	3.3
173.13295	7.9
175.14833	3.9
177.12788	3.5
177.16367	1.8
179.14323	2.0
181.12175	2.6
183.11728	2.4
184.07344	6.4
185.13298	4.1
187.14813	2.2
191.14264	2.2
195.13829	5.2
197.13234	2.6
199.14832	2.2
227.12724	2.0
239.17995	2.5
243.21069	3.4
255.15842	5.9
257.19125	8.5
259.20544	2.4
261.22192	13.1
267.16010	2.7
269.17508	23.4
273.18323	1.9
275.20062	20.7
293.21097	2.1
309.20514	1.5
317.24689	2.1
335.25812	100.0
336.26233	3.7
349.19745	2.6
349.23749	22.9
367.24924	3.4
392.84787	1.6
413.21542	1.9
437.33865	1.7
489.35684	2.2
515.37268	14.8
529.38959	63.4
530.38885	2.6
547.28802	1.4
569.41809	6.4
609.45258	20.9
627.45880	5.2
753.48993	1.6
824.54736	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	824.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93183	2.6
61.02923	4.0
67.05507	75.0
69.03410	8.3
69.07065	22.1
70.06580	11.4
70.78744	4.6
70.79078	2.7
71.01355	2.7
71.04987	9.5
79.05489	54.2
81.03417	94.6
81.07055	78.0
83.04967	16.2
83.08617	42.0
85.02908	5.6
85.06513	4.5
86.09689	10.0
91.03949	3.1
91.05478	56.8
93.07041	57.7
95.04965	34.0
95.08607	34.7
97.02896	3.3
97.06523	11.2
97.10174	14.5
105.07039	48.7
107.04950	17.4
107.08590	36.0
109.06513	16.3
109.10159	44.9
111.04473	3.6
111.08076	11.4
115.05476	4.6
116.07108	6.6
117.07001	15.3
119.04962	3.5
119.08577	39.6
120.08073	3.1
121.06491	6.6
121.10148	22.6
123.08089	4.0
123.11676	4.3
125.09658	13.1
129.07030	19.1
129.10292	2.5
131.08554	25.6
133.06522	5.3
133.10115	28.2
135.08037	7.1
135.11708	13.6
137.05966	4.0
137.09604	6.3
141.06966	2.8
142.07779	4.5
143.08543	8.0
144.43842	2.6
145.10106	12.5
147.08038	7.9
147.11691	22.6
149.09576	15.2
149.13277	6.7
151.11241	5.1
153.09094	3.8
155.08554	4.8
155.10883	2.4
157.10129	21.0
159.11716	9.2
161.13234	3.9
163.11176	11.6
165.12744	5.3
169.10173	3.6
171.11710	6.0
173.09642	3.2
173.11707	7.0
173.13226	6.1
175.11191	15.2
183.11673	4.5
184.07391	5.9
185.13222	4.3
187.11119	4.6
189.11211	6.6
193.12254	33.8
197.13248	3.6
201.12761	3.1
207.06589	3.5
211.13286	6.4
227.12801	9.2
229.14326	27.5
231.13890	3.2
250.15297	2.7
255.15855	13.5
257.18750	3.6
267.15900	100.0
268.16220	4.2
269.17447	9.4
275.20065	25.3
293.21002	6.0
349.23846	20.0
349.27417	2.7
349.29474	2.4
367.24805	18.7
369.24414	3.9
387.25281	3.7
403.24814	4.7
421.25790	44.9
443.27771	10.6
447.27426	18.0
461.28955	64.9
465.28357	29.3
467.31512	3.8
475.30676	3.3
493.31555	30.8
511.32416	3.3
541.35297	57.4
542.35431	4.0
559.36328	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	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.4
57.07058	2.0
61.02893	1.3
62.10277	1.1
65.03926	3.7
67.05506	65.1
69.03424	9.6
69.07069	36.6
69.39611	2.0
69.40025	6.0
71.04972	1.8
77.03895	1.3
79.05495	57.9
81.03423	6.7
81.07057	58.7
83.04976	5.3
83.08621	14.4
85.02914	2.1
85.06540	1.7
91.05487	34.6
93.07042	50.9
95.04965	11.8
95.08611	38.5
95.09091	0.8
97.02898	11.1
97.06529	5.8
97.10169	15.1
105.04522	1.5
105.07034	24.6
107.04962	7.5
107.08599	28.0
109.06529	3.3
109.10142	19.7
111.08092	3.4
117.07002	10.9
119.04967	1.1
119.08575	19.3
121.06509	4.3
121.10149	16.8
123.08064	4.8
123.11726	3.9
125.09637	10.1
128.06242	1.4
129.06975	3.5
131.08572	13.7
133.06505	4.4
133.10170	10.6
135.08026	3.4
135.11685	10.4
137.09605	1.7
143.08540	3.0
145.06465	1.4
145.10126	8.5
147.08061	6.1
147.11707	8.0
149.09616	2.3
149.13258	5.3
157.10159	2.2
159.11668	4.3
161.09587	3.8
161.13269	3.5
163.14856	1.5
165.12790	1.4
169.10069	1.7
171.10249	1.6
171.11629	1.6
173.13240	3.5
175.11191	2.0
175.14877	1.4
177.12782	2.2
187.14824	1.9
189.11212	2.7
189.12701	1.5
205.12135	1.4
210.15558	1.2
223.13304	21.2
227.12819	3.6
243.21152	2.2
245.19095	1.9
249.14943	2.9
261.22223	7.9
262.95624	1.3
273.18506	10.6
291.19547	100.0
292.19922	2.4
317.24744	3.4
319.60306	1.3
335.25797	90.3
336.26236	2.5
347.22168	3.2
365.23221	46.6
471.33252	1.1
545.38287	3.7
625.44647	86.9
626.44434	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	0.9
57.03440	6.7
57.07072	1.8
58.92287	1.0
59.66072	1.0
61.02910	0.9
65.03934	3.7
67.05506	70.4
69.03416	4.4
69.06727	1.4
69.07072	17.0
69.19188	11.5
71.05000	5.5
77.03919	1.3
79.05493	53.9
81.03429	6.5
81.07058	71.8
83.04985	9.5
83.08617	5.6
85.02899	1.8
85.06544	7.1
91.05482	57.7
93.07047	49.6
93.74551	0.9
95.04977	8.1
95.08609	32.7
96.84966	1.0
97.02873	1.6
97.06510	6.3
97.10167	2.5
99.04446	2.3
99.08092	1.3
103.05453	2.0
105.04518	2.3
105.07036	48.8
107.04300	1.0
107.04974	5.8
107.08600	40.2
109.06524	7.1
109.10156	39.7
110.10473	1.2
111.08070	3.4
113.05982	1.9
115.05420	1.2
117.07027	10.8
118.88817	1.0
119.08575	15.4
121.06512	5.8
121.10143	18.5
123.04436	1.1
123.08072	2.9
123.11704	9.1
125.09637	1.7
127.07582	2.5
129.06990	3.1
130.47569	1.2
131.08568	14.3
133.06468	3.3
133.10133	58.5
135.08058	7.4
135.11703	11.1
137.09592	2.7
142.07707	1.0
143.08586	5.0
145.10143	9.9
147.08029	3.5
147.11711	7.7
149.09624	5.3
149.13248	4.5
151.11183	25.7
157.10065	2.8
159.07999	1.2
159.11678	6.6
161.09622	5.4
161.13229	4.8
163.11150	2.0
163.14850	2.3
169.12273	5.7
171.11707	4.6
173.09805	1.1
173.13245	4.5
175.11177	2.4
177.09044	2.7
177.12762	2.2
177.16313	1.1
179.10596	1.5
181.12300	1.3
184.07385	1.2
185.13234	1.7
186.62254	1.1
187.14780	2.2
190.62119	1.0
201.16417	1.3
215.12721	3.0
227.17999	1.7
243.20963	2.5
245.18979	3.6
251.12723	2.6
253.14363	100.0
254.14574	1.2
255.17322	1.7
259.20547	1.5
261.22174	11.8
263.20007	3.3
270.54846	1.0
271.15225	1.1
273.15549	1.2
273.18475	21.9
276.78644	1.1
291.19543	22.5
292.10391	1.1
309.20602	2.7
317.24725	1.9
333.24310	1.8
335.25806	52.9
336.26071	2.9
347.22147	7.7
365.23236	31.0
366.23660	2.0
386.59204	1.2
439.31885	2.4
457.32816	1.6
513.35541	5.9
529.35602	1.8
531.36755	15.1
534.25568	1.0
607.43817	4.8
625.44641	50.9
626.45361	2.4
809.61664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	12.3
57.07068	2.9
65.03925	5.5
67.05505	99.9
69.03444	6.6
69.06734	2.1
69.07072	24.2
69.55392	6.9
69.55802	2.8
71.04988	6.7
77.03925	2.1
79.05495	73.5
81.03426	7.8
81.07057	100.0
83.04983	23.4
83.08626	11.3
85.02898	2.4
85.06538	7.9
85.10207	1.4
86.09689	2.2
89.26731	1.2
91.05484	75.8
93.07047	73.4
95.04971	15.2
95.08608	48.9
97.02869	1.6
97.06515	7.7
97.10159	4.9
99.04455	2.1
99.08071	2.0
103.05499	2.9
105.04513	2.6
105.07035	62.7
107.04961	11.0
107.07888	3.1
107.08598	59.0
109.06517	8.8
109.10157	59.5
111.04424	1.4
111.08050	4.9
111.73599	1.2
113.05979	1.4
115.05450	2.8
117.07024	16.2
119.08578	26.3
121.06490	9.4
121.10151	21.6
123.08083	6.3
123.11695	12.4
125.09606	3.5
128.06177	3.2
129.06976	5.5
130.07806	1.3
131.08569	23.6
133.06528	7.1
133.10133	77.6
135.08069	10.8
135.11710	14.2
137.09581	4.4
139.07501	1.6
143.08531	7.1
145.06496	2.9
145.10117	15.7
147.08043	5.7
147.11668	7.7
149.09602	9.9
149.13295	6.1
151.07542	1.3
151.11171	32.6
155.08499	3.1
157.10124	5.3
159.08040	4.3
159.11691	9.5
161.09625	13.0
161.13225	5.4
163.11147	2.5
165.09103	1.7
169.10135	3.1
169.12227	5.8
171.11713	6.7
173.09604	2.2
173.13226	5.4
175.11136	3.6
175.14798	1.2
177.09084	3.1
177.12682	2.3
184.07315	3.2
185.13190	3.8
187.14880	2.4
189.12714	2.1
199.11084	1.3
203.14243	1.7
215.12787	4.4
223.54233	1.5
227.17957	2.2
243.21175	2.5
245.19112	6.9
251.12820	4.1
253.14354	82.4
255.17407	5.0
261.22113	9.6
263.20056	4.0
271.15308	3.1
273.18530	39.6
275.20068	3.0
291.19571	32.8
309.20569	2.2
317.24615	2.0
323.11996	1.7
333.24472	1.8
335.25827	68.7
336.26114	2.7
339.75342	1.4
347.22147	11.4
358.64948	1.4
363.25793	1.4
365.23221	47.1
366.23532	1.7
367.91699	1.3
439.31860	1.9
457.33014	2.4
513.35999	7.8
531.36859	12.0
607.43433	6.3
625.44659	71.7
626.44965	6.2
643.46320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	7.8
57.07072	3.0
65.03930	3.3
67.05184	2.9
67.05508	42.6
68.06477	2.1
68.68423	1.9
69.07070	37.3
71.04991	2.9
71.08624	2.6
71.50434	3.7
79.05077	3.4
79.05492	46.3
81.03417	8.2
81.06594	4.0
81.07059	57.2
83.04963	7.9
83.08613	8.4
85.06554	3.6
88.40712	1.9
91.05481	66.5
92.06235	1.8
93.06480	3.7
93.07045	49.1
95.01319	9.1
95.04979	10.9
95.08607	33.4
97.06538	23.2
97.10168	3.0
101.98297	1.8
105.04519	2.4
105.07033	100.0
107.04961	18.3
107.08589	24.4
109.06519	4.8
109.10168	12.4
111.08053	2.1
115.05454	2.3
117.07011	20.4
118.24554	2.1
119.08585	52.6
121.06452	3.3
121.10140	14.7
123.08044	3.9
123.11713	3.7
125.09669	2.1
129.06998	9.4
130.07828	2.2
131.08557	31.8
133.10136	50.2
135.11649	11.6
137.09616	2.5
143.08525	9.0
145.10130	25.6
147.08038	3.2
147.11691	31.8
149.09608	6.9
149.13234	7.8
151.11176	2.4
157.10149	5.0
159.11685	20.5
161.09613	3.1
161.13272	19.6
163.11194	4.7
169.10114	3.2
171.11674	7.3
173.13237	8.9
175.11157	2.8
175.14780	7.7
177.12764	4.3
179.14261	9.3
183.11636	2.9
184.07341	3.2
185.13266	6.1
187.14857	3.1
196.66959	2.0
197.13295	3.0
199.14867	3.0
215.17847	2.9
231.21059	3.6
241.19479	18.9
257.19019	5.3
259.20618	24.8
275.20065	63.9
293.21176	3.9
313.21445	2.2
315.23322	12.9
333.24249	56.4
349.23715	46.9
351.09180	2.2
424.73981	2.0
607.43567	98.8
608.43579	5.4
625.44116	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	820.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
57.07076	96.2
58.07437	0.6
59.05001	29.0
63.37370	0.7
66.93066	0.7
67.05504	1.5
69.03439	0.7
69.07069	3.0
69.86314	3.4
71.05001	0.8
71.08631	98.7
72.08978	0.9
73.02911	1.8
73.06554	2.7
79.05497	1.6
81.07066	1.9
83.08177	0.8
83.08590	3.5
85.02971	0.9
85.10183	92.8
86.09689	1.6
87.04467	16.8
89.06031	100.0
89.31209	0.6
91.05502	1.2
95.04985	1.1
95.08577	1.7
97.10159	1.7
99.11727	9.5
101.06012	1.2
101.09663	2.1
103.07543	1.3
107.07058	1.3
107.69176	0.7
113.06019	0.9
115.07554	1.1
117.09140	9.0
129.09071	0.9
130.08626	1.7
131.07024	5.9
131.10664	0.8
133.08604	77.2
134.08942	0.9
141.16379	10.4
159.10159	0.9
161.11714	1.1
175.09645	5.9
177.11224	29.1
178.11537	0.7
184.07326	4.9
199.20566	19.7
200.20886	1.0
219.12230	1.7
221.13750	4.8
223.15266	0.7
224.01759	0.6
235.15404	0.9
239.14922	2.0
240.23114	0.9
257.24741	6.9
265.16425	2.2
267.18149	1.0
283.17395	1.8
309.18927	1.8
334.65720	0.8
353.21494	0.9
415.25266	1.0
503.30289	1.0
508.39435	0.7
547.33203	5.4
587.35956	1.0
820.46594	5.2
820.58887	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	820.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
57.07077	58.4
59.05001	12.7
67.05499	1.8
69.03438	1.0
69.07082	2.5
69.07396	0.5
69.41906	3.5
71.04993	0.8
71.08633	40.7
72.76345	0.4
73.02927	1.1
73.06564	4.6
79.05486	1.4
81.03432	0.6
81.07028	2.4
83.08621	1.0
85.06586	0.5
85.10183	34.1
86.09705	1.4
87.04470	19.8
89.06032	100.0
90.06339	0.8
91.05476	2.0
91.59344	0.5
93.07047	1.5
93.95393	0.5
95.08624	2.1
97.06557	0.5
97.10180	1.1
98.20670	0.9
99.11723	4.9
103.07596	6.4
105.07024	1.1
107.07066	1.1
107.08628	1.0
111.11729	0.8
113.06002	0.5
113.13287	2.1
115.07550	0.7
117.09113	5.9
125.00024	0.9
130.08652	2.0
131.07034	6.3
133.08604	65.9
135.10155	1.0
141.16426	0.8
147.11638	0.7
155.17940	3.3
157.10081	0.7
161.11794	1.2
175.09706	3.9
177.11221	25.9
184.07327	3.6
213.22073	2.9
219.12291	1.2
221.13831	5.2
223.15363	0.7
239.15001	0.8
239.58540	0.5
257.24792	3.4
259.20468	0.6
265.16479	2.0
283.17667	1.2
291.19638	1.2
309.19009	1.1
327.20270	0.8
353.21851	1.3
362.53354	0.7
365.23145	0.6
501.27020	0.6
547.33234	0.8
591.35596	3.6
623.43121	0.7
631.39478	0.8
803.57562	1.0
820.59253	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	820.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.9
67.05498	32.4
69.55279	36.8
78.71118	5.5
79.05485	18.1
81.07027	40.1
91.05474	16.9
93.07041	23.3
95.08577	26.0
98.20766	11.5
105.07012	9.4
107.08572	13.2
109.10142	9.7
119.08575	10.5
121.10115	7.5
123.11698	7.5
130.00916	5.7
133.10124	7.7
153.08604	6.0
184.07320	9.3
261.22195	9.6
289.48990	6.8
335.25793	100.0
336.26093	13.7
337.27118	11.9
355.34662	6.0
595.47015	10.8
769.27759	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	820.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
57.07067	1.7
61.06342	1.0
65.03959	1.1
67.05505	23.5
68.36828	0.9
69.03427	2.1
69.06738	1.6
69.07075	18.9
70.22103	3.8
71.08643	2.7
73.02863	1.2
77.03908	1.0
79.05024	0.9
79.05494	20.7
81.03431	5.6
81.06589	2.3
81.07055	32.1
81.07533	1.7
83.04971	4.4
83.08611	5.4
85.06526	1.1
85.10186	1.2
86.09702	3.7
89.06038	1.1
91.05486	35.7
93.07047	19.0
95.01344	6.4
95.04957	6.3
95.08612	18.7
97.06532	40.8
97.10169	2.1
103.05467	1.4
105.07035	49.4
105.25487	1.0
107.04954	13.9
107.08581	12.3
109.06522	3.3
109.10155	5.9
115.05464	2.0
117.07023	8.3
119.08582	28.0
121.06495	3.8
121.10140	4.4
122.57999	1.0
123.04448	2.4
123.08065	4.3
123.11720	1.0
125.00016	2.7
125.09596	1.8
129.07002	1.5
131.08565	13.9
133.06656	1.2
133.10136	28.3
135.08063	2.9
135.11694	5.1
137.09610	3.7
139.07506	2.5
141.07008	2.2
143.08607	2.4
143.74579	1.0
145.06499	1.5
145.10127	10.3
147.11674	11.8
149.09616	7.0
149.13248	2.9
151.11241	1.4
159.11658	8.3
161.09570	1.1
161.13271	3.4
163.11215	4.2
165.09126	2.2
169.10136	2.1
171.11652	1.7
173.13255	2.5
175.14767	1.4
177.12738	2.3
179.14319	11.8
183.11781	1.2
184.07347	11.9
187.11198	3.9
197.13286	1.4
229.19510	1.8
231.49698	0.9
239.17928	1.7
241.39319	1.0
247.20537	2.9
255.23134	1.7
257.19046	5.2
275.20074	68.9
276.20407	2.7
279.15955	1.5
293.21173	5.3
335.25494	1.7
349.23740	43.6
350.24152	2.4
623.43073	100.0
624.43335	6.9
641.44055	2.8
802.51294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.9
57.07069	3.3
59.04987	1.7
65.03925	4.2
65.69994	1.1
67.05505	61.0
69.03437	7.2
69.07069	15.5
71.04971	2.0
71.08634	2.7
77.03901	1.4
79.05491	60.8
81.03423	2.6
81.07056	55.5
83.04967	5.6
83.08615	34.1
85.06519	2.9
85.10193	1.5
87.04468	1.5
91.05480	57.7
93.07043	46.0
93.16267	1.1
93.57751	1.1
95.04954	4.4
95.08607	28.4
97.06505	3.4
97.10167	70.9
98.10477	1.1
98.37595	1.2
101.09624	2.4
103.05452	2.0
105.04505	1.4
105.07034	17.5
107.04970	2.6
107.08590	46.0
109.06496	2.5
109.10155	17.6
111.08070	3.5
115.05434	6.8
117.06240	2.1
117.07021	32.8
119.08582	76.4
121.06498	3.2
121.10134	12.3
123.11737	2.4
125.09628	66.5
128.06274	1.9
129.07007	3.9
131.08578	13.0
133.06543	1.7
133.10132	7.3
135.08054	14.6
135.11708	8.3
141.06998	1.7
141.08998	1.1
142.07799	1.3
143.08556	9.8
143.10599	2.5
145.06487	32.4
145.10127	7.5
147.08041	7.0
147.11682	5.2
149.13260	5.8
153.09106	7.8
155.08588	3.5
157.10110	5.3
159.08046	10.9
159.11659	7.0
161.09615	3.2
161.13251	3.1
163.07518	4.1
163.14777	2.8
169.10114	3.4
171.10187	10.8
171.11555	2.5
173.09610	3.7
173.13287	3.7
175.14786	1.4
179.14256	1.2
183.11575	1.4
184.07350	3.2
185.09680	1.3
187.14853	2.2
189.11206	37.9
197.13240	1.5
209.13277	1.3
215.48141	1.1
219.17320	1.3
225.16408	2.2
227.12769	100.0
228.12967	1.3
243.17346	3.5
243.21078	5.7
245.13850	3.7
253.15862	4.5
261.22162	16.3
271.16919	68.5
272.17252	2.0
289.17972	16.2
317.24704	2.7
327.19601	2.5
335.25787	48.3
336.26254	1.9
345.20618	15.7
363.21640	18.7
413.30109	1.5
431.31436	1.6
487.34073	4.2
505.35239	24.6
605.42029	27.1
606.42480	2.7
623.43091	58.7
624.43042	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	820.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.5
57.07067	4.3
59.05001	1.8
65.03923	4.5
67.05505	63.5
69.03431	9.3
69.07069	19.5
71.04977	2.0
71.08611	2.1
75.28584	1.4
79.05491	69.4
81.03410	2.2
81.07054	57.1
83.04976	4.8
83.08620	31.3
86.09661	1.5
87.04471	1.8
91.05480	54.0
93.07046	52.1
95.04955	5.5
95.08612	29.4
97.06536	1.5
97.10168	76.4
98.20804	4.0
101.09637	1.7
102.27194	1.5
103.05474	2.6
105.07032	19.2
107.04953	3.0
107.07883	2.4
107.08595	43.3
107.09308	2.7
109.06517	1.9
109.10155	17.2
109.27827	1.6
110.13830	1.4
111.08083	3.5
113.09621	1.8
115.05466	4.8
117.07023	36.3
119.08584	75.8
121.06494	3.0
121.10122	14.8
123.11694	2.5
125.09628	62.3
128.06183	2.6
129.06982	4.5
131.08556	12.8
133.10146	7.8
135.08046	12.5
135.11708	13.1
141.07025	2.1
142.07707	2.1
143.08542	6.9
143.10684	3.8
145.06483	27.9
145.10126	10.9
146.01477	1.5
147.07994	4.3
147.11673	5.3
149.13252	6.3
153.09061	4.4
155.08546	3.3
157.10104	4.9
159.08061	10.6
159.11668	6.0
159.49471	1.6
161.09589	1.7
161.13252	4.6
163.07516	2.0
163.14867	1.8
169.10106	2.4
171.10136	7.5
171.11636	2.7
173.09550	2.7
173.13261	2.8
175.11247	1.7
181.10124	1.6
183.11693	1.6
184.07381	4.5
185.09592	1.6
187.14873	2.1
189.11201	45.3
201.16254	2.0
227.12772	100.0
228.13133	2.0
233.22478	1.9
243.17493	3.4
243.21059	6.7
245.13840	2.7
253.15849	3.1
261.22150	22.6
271.16922	68.0
272.17151	1.7
289.17920	15.5
290.18567	1.9
317.24814	3.5
327.19409	1.5
335.25827	58.8
345.20670	17.1
347.56702	2.1
363.21698	24.5
413.30051	1.9
458.94714	1.6
487.34036	6.6
505.35144	31.3
527.94171	1.6
586.03632	1.9
605.33301	2.8
605.42041	38.4
623.43036	71.9
624.43323	2.8
689.50525	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	820.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03205	1.0
57.03442	12.0
57.07077	49.6
59.05001	1.2
60.08146	1.3
61.02931	10.3
61.55648	0.8
65.03934	1.3
67.05508	30.6
69.03413	1.8
69.07076	5.7
71.08627	2.1
73.02908	4.3
79.05078	1.2
79.05496	16.8
79.59876	1.0
81.03403	1.1
81.06599	1.4
81.07060	26.6
83.04993	1.2
83.08609	3.7
85.02901	12.6
85.06538	1.2
85.10173	1.6
86.09702	3.3
89.06032	5.8
91.03958	11.3
91.05477	11.0
93.06501	1.6
93.07047	21.8
95.04972	2.1
95.08611	24.3
97.02893	8.6
97.06531	1.1
97.10168	2.0
98.21606	2.3
99.04452	1.1
99.08067	1.3
101.02383	0.8
101.05934	1.0
103.07585	1.6
105.07025	6.0
107.08597	13.3
109.10161	16.9
111.11707	1.0
117.07026	3.7
119.08582	7.7
121.10152	10.3
123.11690	4.1
125.00020	2.6
125.09615	1.6
127.03893	3.1
127.11205	19.6
131.08562	5.1
133.10107	6.2
135.11734	9.0
135.88428	1.0
137.13223	1.3
145.04945	5.3
145.10118	6.9
145.12207	5.7
147.11639	2.7
149.13274	5.8
159.11668	4.1
161.13258	3.6
163.06042	7.9
163.14833	4.1
173.13206	4.6
175.14871	1.0
177.16360	2.1
184.07355	11.4
185.25432	1.0
187.14781	2.5
189.11348	1.2
201.14867	100.0
202.15236	2.1
202.48088	0.9
204.17068	1.1
233.22620	1.7
243.21065	7.7
261.22141	28.2
271.16907	1.9
299.97751	0.9
317.24759	5.0
335.25806	63.4
336.26141	2.0
353.27048	1.2
363.21555	1.0
387.32886	1.7
444.87582	1.1
461.36264	33.0
462.36575	2.0
479.37329	10.4
480.37698	1.2
623.43036	1.8
778.51227	1.0
820.49054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.7229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	18.5
59.04993	4.1
60.08154	7.6
67.05507	20.1
69.07069	28.2
69.84792	5.5
69.85189	2.8
71.07360	2.4
71.08639	11.1
79.05491	7.1
81.07059	43.7
83.08629	24.0
85.10163	7.4
86.09706	36.1
87.10023	6.9
91.05489	4.8
93.07053	14.7
95.08614	66.9
97.06514	4.2
97.10177	9.5
98.98479	4.7
104.10715	5.8
105.07017	10.1
107.08595	27.0
109.06506	3.1
109.10155	56.9
111.08025	1.9
111.11720	4.3
112.91911	1.6
113.64225	1.9
117.07062	1.6
117.33797	1.8
119.08587	10.1
121.10147	28.3
123.08102	2.1
123.11715	40.7
125.00022	28.9
128.15405	1.6
129.09140	2.7
133.10143	12.3
135.11699	18.8
137.09631	2.9
137.13269	28.5
145.10129	3.1
147.11679	8.4
149.09639	2.1
149.13251	15.4
151.14819	7.7
159.11592	1.7
161.09496	1.8
161.13280	10.5
163.11209	4.2
163.14833	12.7
165.12805	1.7
165.16385	3.7
167.10640	2.6
173.13271	1.9
175.14751	3.4
177.16397	9.6
179.14297	5.1
179.17943	3.1
181.12224	7.0
184.07347	100.0
185.07726	14.4
186.07791	6.2
191.14381	2.9
191.17918	4.0
193.12267	4.0
193.19504	7.4
195.13718	4.1
197.15424	3.4
205.15994	1.7
205.19493	6.0
209.15332	10.2
211.90891	2.0
219.21114	2.9
223.16922	5.8
233.22679	1.9
237.18457	3.3
247.24123	2.7
249.18445	3.2
251.20258	1.9
261.25809	6.1
263.20032	3.1
265.21555	3.0
267.26825	4.4
277.21600	5.3
291.23090	4.5
305.24835	2.1
317.24844	2.9
331.26187	3.6
331.55396	1.7
333.27884	1.9
341.30563	18.8
361.31076	2.7
443.38879	37.5
703.11224	1.7
818.56464	2.3
819.44458	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	818.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.1
57.07071	3.6
67.05508	67.5
69.07063	15.7
72.01595	2.9
79.05492	44.3
81.07056	57.4
83.08621	10.0
86.09711	6.0
91.05476	26.1
93.07041	46.5
95.08611	44.5
97.10160	4.6
102.38145	3.1
105.07031	19.6
107.08604	25.3
109.10135	20.8
117.07013	9.8
119.08569	19.4
121.10140	24.7
123.11692	9.2
131.08557	12.7
133.10118	11.1
135.11681	14.0
145.10133	7.3
147.11674	8.4
149.13229	8.3
159.11679	9.4
161.13245	7.7
163.14832	4.9
173.13261	10.2
175.14833	6.4
184.07353	10.3
205.31039	3.2
213.79381	3.3
229.11375	3.6
243.21109	5.8
259.20554	7.6
261.22110	21.4
275.73694	3.4
319.78033	3.2
333.24118	6.0
335.25809	100.0
336.26013	6.6
337.27432	6.0
389.16016	3.2
423.36972	3.8
595.46912	12.9
613.48254	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	818.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.7
57.07078	100.0
59.04725	2.3
59.05004	41.3
69.07065	1.8
71.08633	75.0
81.07033	1.9
83.08619	3.2
85.10183	63.5
86.09706	2.1
87.04488	8.0
87.97387	1.5
89.05495	2.1
89.06032	37.8
94.57265	1.5
95.08583	1.6
97.10135	2.8
99.08144	1.5
99.11745	11.5
101.09640	3.7
113.13258	4.2
117.09148	18.8
125.00010	2.3
133.08598	25.7
155.17969	10.8
176.01160	1.7
177.11256	10.7
184.07268	8.1
213.22139	15.3
221.13884	1.8
271.26294	21.3
293.38678	1.3
415.25262	5.3
457.76941	1.5
631.88806	1.5
818.62012	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	818.505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.4
61.02933	2.6
65.03946	1.5
66.51526	0.7
67.05503	24.0
68.05030	8.4
69.03427	3.8
69.07063	6.2
70.06594	24.2
71.04993	1.9
71.50816	0.9
73.02911	2.9
79.05494	19.7
79.65527	0.7
80.05027	2.6
81.03413	6.8
81.07055	19.7
82.06601	1.5
82.07398	0.9
83.04990	2.1
83.08623	3.3
84.08138	1.3
84.72107	0.6
85.02917	2.8
85.06551	1.2
86.09726	1.5
91.03955	1.6
91.05476	15.9
93.05789	1.0
93.07042	18.6
94.06583	2.3
95.04952	4.3
95.08601	13.7
95.09176	1.1
96.08127	2.0
97.02907	3.0
97.06522	1.8
97.10186	1.0
98.06037	0.9
100.07603	5.8
105.07030	10.8
106.06562	4.8
106.07227	0.8
107.07355	1.4
107.08591	9.2
108.08139	4.1
108.08817	0.6
109.06536	1.7
109.10161	6.3
110.09747	1.4
111.08101	1.7
112.07630	0.7
114.05528	11.2
116.07087	1.3
117.07022	4.4
118.06576	2.4
119.07332	1.6
119.08592	6.0
120.08105	9.4
121.06554	0.7
121.10165	4.5
122.09708	3.0
123.04417	1.5
123.11724	1.2
125.09624	1.2
127.03916	0.8
128.07095	5.8
129.07030	1.9
131.08566	5.7
132.08138	2.3
133.08977	1.8
133.10152	6.1
134.09654	15.2
135.10474	2.8
135.11743	2.0
136.07628	1.3
136.11250	3.2
137.09604	1.1
140.07106	1.5
143.08577	1.8
145.10173	2.5
146.09671	2.9
147.08017	0.8
147.11700	2.5
148.11201	7.9
149.09561	1.0
149.13278	1.3
151.11244	1.4
152.10741	0.9
154.08626	4.5
155.08485	0.9
157.10112	1.3
159.11746	0.9
161.13309	0.9
163.11226	0.9
164.07047	11.8
166.08725	1.5
168.06541	0.9
171.11679	1.0
173.13283	1.9
174.12779	0.7
174.55341	0.8
176.14334	0.8
177.07916	1.4
178.08636	7.8
179.09430	1.5
180.10202	20.1
180.11710	1.2
184.07385	1.6
190.08661	1.2
191.14392	1.4
192.10268	1.7
194.08102	3.6
194.11813	1.4
204.10182	0.7
206.11867	1.5
230.19093	1.1
232.20735	1.4
248.20267	0.8
253.14384	6.0
258.18491	5.0
260.20279	2.0
267.16040	4.2
270.18539	0.6
273.18478	0.9
274.18188	1.3
276.19598	21.0
277.17929	0.8
278.21185	4.5
279.06570	0.6
286.18030	1.6
291.19669	2.3
302.17624	3.6
304.19070	55.8
305.19455	1.7
316.22806	1.8
322.20105	22.7
334.23715	9.0
335.26108	1.4
350.23480	1.8
365.23361	2.0
378.22775	7.4
396.23831	15.4
445.26581	1.3
461.19290	0.9
464.17853	0.9
557.34869	3.5
558.29413	1.4
571.32336	0.8
594.45264	3.0
613.72736	1.0
638.44427	3.4
656.45190	86.9
657.45508	4.4
818.50470	100.0
819.50732	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	3.0
57.07012	0.8
58.44973	0.7
61.02848	2.6
61.03123	0.9
62.01738	0.6
64.65278	0.6
65.03876	1.5
67.05416	21.4
67.05814	2.4
68.04938	6.1
69.03340	3.1
69.06980	4.5
69.20490	7.0
70.06504	20.5
70.06930	2.4
71.04917	1.3
72.08053	0.8
73.02824	2.1
79.05397	19.6
80.04921	2.7
81.03321	8.2
81.06961	20.6
81.07469	1.9
81.87833	0.7
82.06499	1.0
83.04885	2.9
83.08523	3.8
84.08071	1.7
85.02806	2.3
85.03264	0.7
85.06451	1.4
85.43291	0.7
86.09628	1.3
90.26167	0.8
91.05375	18.3
93.05709	1.4
93.07042	14.6
94.06458	2.3
94.07032	0.7
95.04858	4.6
95.08500	11.2
96.04411	0.9
96.08016	1.2
97.02871	3.4
97.06432	1.2
97.10095	1.2
100.07615	4.6
101.02326	0.9
102.25079	0.8
103.05363	1.1
105.04441	0.7
105.07031	11.1
106.06565	4.9
107.04815	2.1
107.07355	0.8
107.08599	10.7
108.08006	3.3
109.06419	2.1
109.10150	6.7
111.08026	1.5
113.04797	0.7
114.05532	9.8
116.07002	1.2
117.07033	5.1
118.06413	2.4
119.07229	0.9
119.08582	6.3
120.08092	10.0
121.06391	1.4
121.08823	0.8
121.10151	3.9
122.09532	2.4
123.04337	1.0
123.07973	1.4
123.11600	1.3
128.07079	5.6
129.07019	3.2
131.08563	6.2
132.07999	2.4
133.06410	1.2
133.08748	2.2
133.10008	7.8
134.09647	13.1
135.07962	1.0
135.10371	1.6
135.11549	1.8
136.07446	0.9
136.11115	2.0
137.09514	0.8
142.07671	0.8
143.08408	1.4
145.10115	3.5
146.09517	2.2
147.10373	0.9
147.11568	2.5
148.11201	8.0
149.09535	1.1
149.13147	1.0
150.12762	0.8
151.11063	2.8
152.06934	0.9
154.08601	4.5
157.10025	1.5
159.11624	1.1
160.11127	1.6
161.09462	0.8
161.13199	1.2
162.12672	0.7
163.11156	0.8
164.07076	10.3
166.08565	1.6
171.11641	1.6
173.13177	1.1
175.11035	1.4
177.07744	1.7
178.08617	5.8
179.09314	1.1
180.10204	22.7
184.07281	1.1
190.08607	1.1
192.10201	1.5
193.12128	3.1
194.07999	2.6
194.11708	2.4
206.11685	1.0
211.13112	0.9
227.12672	0.8
230.18947	0.9
253.14334	7.5
258.16248	0.7
258.18570	6.8
260.19958	2.8
267.15894	4.3
273.18399	3.0
274.18213	1.5
276.16730	1.2
276.19583	19.4
278.21191	3.8
286.18033	1.1
291.19458	2.0
302.17487	3.3
304.19073	47.7
305.19308	1.0
316.22461	0.9
320.18295	1.0
322.16483	1.4
322.20142	21.6
323.20523	0.9
334.23703	5.9
335.25735	1.7
350.23080	2.0
365.23282	3.2
378.22873	4.8
394.22232	0.8
396.23807	26.1
424.73734	0.7
429.21130	1.0
445.25760	1.2
463.26660	1.9
539.33850	0.7
557.34894	6.6
558.28809	1.1
575.35724	2.7
594.44910	2.4
607.31805	1.0
610.44812	0.9
638.44415	5.1
656.45203	95.5
657.45630	6.6
800.42926	0.8
818.50458	100.0
819.50793	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	818.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
57.94971	1.2
61.02922	3.0
65.03936	1.1
67.05505	17.2
69.03424	3.2
69.07066	5.7
70.06573	3.0
70.74439	1.1
70.74780	2.1
71.05006	1.1
79.05490	17.8
81.03415	2.9
81.07054	14.5
83.04990	2.7
83.08612	10.0
84.08148	1.3
85.02907	4.7
91.03947	3.5
91.05480	16.7
93.07048	8.6
95.04954	2.1
95.08598	6.4
97.02866	1.8
97.06556	1.1
97.10169	16.1
99.04423	1.1
103.05457	7.3
105.07026	11.7
107.04946	2.6
107.08611	8.2
109.06523	1.1
109.10178	4.0
109.30142	0.9
111.08119	1.6
115.05489	4.7
117.07020	22.5
119.08570	7.7
120.08108	1.2
121.06502	2.0
121.10150	2.4
123.08036	1.1
125.09626	18.6
128.06219	1.7
129.07011	10.4
130.05043	1.0
130.08650	1.1
131.04977	1.1
131.08554	14.2
133.06485	4.4
133.10124	3.7
135.08055	5.6
135.11668	1.3
141.06947	4.6
142.07761	1.0
143.08578	4.7
145.06511	5.2
145.10112	5.0
147.04306	1.1
147.08095	1.9
149.09695	2.1
153.06941	1.2
153.09103	2.6
155.08566	5.9
157.06517	3.3
157.10139	2.8
157.79810	0.9
159.08092	3.3
159.11681	2.3
167.08553	2.4
169.10101	4.7
171.08025	2.6
171.10201	1.4
171.11658	3.1
172.84468	1.1
173.09628	1.5
173.13316	1.3
181.10158	1.4
183.11707	1.1
185.09636	1.6
185.13150	1.4
187.11113	1.2
187.14777	6.3
189.11206	8.5
193.10352	1.1
195.11624	1.6
197.09595	1.6
197.13315	7.1
199.11177	1.3
213.12738	1.8
215.14291	25.2
221.13336	1.4
227.12695	14.0
233.15424	1.2
237.12729	1.8
241.12195	1.2
245.13727	1.6
249.10068	1.0
271.16971	1.7
327.89786	1.1
339.23062	1.9
348.27817	1.0
349.21643	4.3
367.22632	8.8
385.23779	7.5
403.24878	2.2
441.26343	50.1
442.26572	3.0
459.27405	100.0
460.27707	4.1
477.28461	11.5
629.50006	1.0
780.75964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
57.07064	0.5
58.06622	0.4
59.04996	0.2
60.08163	6.3
67.05490	0.4
69.07051	0.4
69.07480	0.1
70.06593	1.2
71.06993	0.3
71.07372	4.4
71.08616	0.4
79.05486	0.5
81.03380	0.2
81.07052	0.7
83.04995	0.2
83.08620	0.3
86.09702	31.7
87.10033	0.3
91.05484	0.4
93.07038	0.5
95.04972	0.2
95.08590	0.5
97.10155	0.2
98.98464	3.6
104.10736	2.8
105.06982	0.2
107.04893	0.2
107.08611	0.3
109.06490	0.2
109.10155	0.3
116.07088	1.3
119.08578	0.4
121.10120	0.3
125.00000	21.3
135.11678	0.3
137.05974	0.4
143.01144	0.2
145.10074	0.3
163.11143	0.3
184.07332	100.0
185.00642	0.1
185.07742	0.8
209.11812	0.3
227.12836	0.2
252.03799	0.2
283.15421	0.8
289.18024	0.3
313.27371	1.4
317.36530	0.1
381.22711	0.6
445.52905	0.2
521.38379	1.2
529.55524	0.1
619.45764	0.5
636.46320	0.2
798.53607	0.9
816.53802	6.3
817.54028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.6
57.07086	1.5
65.03947	3.7
67.05508	36.8
68.80132	0.9
69.03429	1.6
69.07071	11.7
70.06592	2.1
71.04981	1.3
77.03930	1.4
79.05495	29.1
81.03450	2.2
81.07056	33.0
83.04990	2.2
83.08608	5.7
86.09721	2.4
91.05482	18.3
93.07047	28.6
95.04969	5.1
95.08611	22.5
97.10187	4.2
103.05484	2.1
105.03407	2.1
105.04532	1.1
105.07034	13.0
107.05000	2.8
107.08590	14.0
109.06562	1.6
109.10177	8.0
115.05469	2.0
117.07022	6.3
117.79490	1.0
119.04978	1.1
119.08566	6.8
121.10151	7.6
123.04433	88.7
123.08059	1.3
123.11727	2.4
125.00023	1.3
125.09586	1.7
129.07021	2.3
131.04980	1.9
131.08582	6.6
133.06519	1.2
133.10132	5.6
135.04456	5.1
135.08058	1.3
135.11728	4.5
137.02454	2.2
137.13397	1.2
139.03926	1.3
143.08588	1.5
145.06464	1.5
145.10162	4.0
147.04401	7.0
147.11699	2.8
149.06001	2.6
149.13283	2.3
151.03923	2.0
157.10121	1.8
159.04497	1.3
159.11728	3.2
161.06029	3.9
161.09688	2.0
161.13371	2.5
163.03897	6.4
165.05569	1.5
169.10205	1.0
171.04463	5.8
173.06033	4.5
173.13332	1.9
175.03929	6.7
175.07570	1.7
176.04724	3.8
177.05460	6.4
178.07874	1.2
179.08568	1.1
181.06592	1.2
184.07422	3.4
185.05975	1.9
187.03885	8.7
187.07570	2.3
189.05455	7.6
189.09097	1.0
191.07072	2.9
197.05994	2.3
199.03944	3.2
199.07501	2.2
200.04686	6.8
201.05479	9.3
203.07042	2.9
203.08739	1.3
207.08107	1.8
211.03970	2.8
211.07530	1.5
213.05440	6.9
213.09151	1.2
214.06392	1.2
215.03488	1.4
215.07091	4.4
215.10588	1.1
223.07689	3.0
227.07091	2.7
227.12888	1.6
229.05106	1.7
234.06856	2.3
235.07465	6.6
235.11143	1.6
239.07242	2.4
243.21138	1.3
249.09242	1.4
251.07121	2.9
252.07748	6.0
253.08144	1.0
255.06525	2.1
261.22180	3.2
263.07065	8.0
265.04993	1.1
265.08569	1.8
267.06622	2.3
271.06161	3.0
273.14926	1.9
277.08670	1.5
279.06531	34.2
279.09583	2.1
280.07309	4.8
281.08261	3.4
283.06015	7.7
283.13229	2.2
284.06564	1.1
285.07666	2.7
285.22110	1.1
291.06656	3.4
292.07132	1.3
293.08176	3.3
295.06177	4.3
295.09515	1.2
297.07681	3.8
299.12857	1.5
301.14523	4.2
305.08273	3.3
307.06107	9.7
307.09531	1.7
308.06802	70.4
309.07547	26.9
311.09363	1.9
311.12756	1.5
313.14307	7.1
317.13858	2.7
320.07016	1.2
321.07626	8.6
322.08249	5.5
323.09235	15.6
323.12900	2.6
325.14334	1.9
329.14072	4.2
331.15662	1.9
333.07635	7.5
335.05566	2.2
335.09109	8.5
335.25797	46.4
336.26144	1.5
337.10651	1.2
337.27750	1.6
339.16101	1.5
341.13840	16.1
347.09341	1.9
349.07080	1.4
349.10922	3.6
351.08884	1.5
353.13791	2.8
359.09314	1.3
361.10727	1.1
385.16846	2.3
397.16345	1.2
405.17224	1.6
417.17120	3.3
419.14844	2.3
433.16553	8.5
435.18008	9.3
445.16318	7.8
447.17996	2.4
451.17801	1.5
461.15952	14.1
463.17554	100.0
464.18091	3.3
465.19095	1.4
475.17200	1.3
479.16940	7.5
481.18506	2.4
493.18726	1.9
501.19202	6.8
519.20337	12.9
535.19788	2.7
537.21185	15.1
543.36292	2.0
553.20648	8.8
601.35992	1.3
663.39014	3.1
675.39136	4.1
693.40454	1.5
723.39209	2.5
779.40515	1.1
797.42590	26.8
798.42377	1.5
815.43616	61.2
816.43536	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	815.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.7
65.03957	2.4
67.05507	34.0
69.03421	1.2
69.07063	6.6
69.51546	6.5
70.06605	1.9
77.03922	1.5
79.05495	22.2
81.03419	2.4
81.07055	27.9
83.04994	1.8
83.08617	4.0
84.38754	1.0
86.09710	2.2
91.05489	14.2
93.07045	18.4
93.78564	1.0
95.04988	4.4
95.08603	24.1
97.06566	1.7
97.10180	3.4
97.46283	1.0
105.03468	1.2
105.04530	1.1
105.07014	7.8
107.04977	2.2
107.08588	11.3
109.06516	1.7
109.10152	7.5
111.08088	1.3
115.05431	2.0
117.07058	4.6
119.08578	8.2
119.75644	1.2
121.09460	1.1
121.10123	5.9
123.04431	96.6
123.11688	2.3
124.04750	1.3
125.09653	2.6
129.07025	3.1
131.08601	4.6
133.10133	5.3
135.04446	3.2
135.11716	4.8
137.02354	2.3
139.03911	1.9
143.08589	1.9
145.06564	1.3
145.10143	4.3
147.04427	5.8
147.11748	3.8
149.05971	2.2
149.13330	1.9
157.06432	1.4
159.04445	2.0
159.11795	2.1
161.06029	3.9
161.13289	2.0
163.03906	8.9
171.04396	6.0
173.06039	3.9
173.13318	1.5
175.03931	7.9
175.07660	2.0
176.04752	3.6
177.05460	7.7
177.09219	1.3
179.08607	1.1
181.06552	1.4
183.08145	1.1
184.07355	5.9
185.06039	2.8
187.03905	9.4
187.07478	1.4
187.14865	1.4
189.05478	6.9
191.07164	1.5
195.08078	1.7
197.06142	2.0
199.03987	3.1
199.07672	1.7
200.04715	7.6
201.05449	10.1
203.07068	2.2
207.08075	1.6
211.04016	2.1
211.07594	1.7
213.05460	5.7
215.03465	1.5
215.07004	1.7
217.05028	1.3
223.07495	1.5
225.09224	1.9
227.07132	3.1
228.04170	2.3
229.04884	1.9
234.06793	1.3
235.07526	5.4
237.05524	1.5
239.06996	1.9
239.10727	1.4
251.07135	3.7
252.07655	5.1
255.06528	2.2
261.22134	3.3
263.07001	7.9
265.08704	1.1
269.08078	1.3
271.06082	3.0
271.13297	1.4
273.14871	1.5
277.08728	2.2
279.06522	38.9
279.09616	2.0
280.07297	5.8
281.08075	2.4
283.06009	8.1
283.13376	1.8
285.07639	3.0
291.06543	2.1
293.08179	4.2
293.11478	1.1
295.06122	3.7
295.09717	1.7
295.13379	1.1
297.07712	3.2
299.12750	1.5
301.14392	4.2
305.08023	1.3
307.06122	8.1
307.09360	2.0
308.06787	65.9
309.07565	29.1
311.09354	2.6
311.12903	2.3
313.14328	6.5
317.13943	2.3
319.09933	1.5
321.07532	9.6
322.08411	6.0
323.09201	15.4
323.12817	1.6
325.14426	3.7
329.14114	3.3
331.15558	3.7
333.07416	6.8
335.05731	1.6
335.09268	10.0
335.25806	31.7
337.10492	1.5
337.27655	1.3
341.13828	22.2
341.17471	1.6
343.15222	1.5
347.09320	1.8
349.10797	2.1
351.08621	2.4
353.13947	3.6
369.17087	1.8
371.15167	1.4
405.17307	1.5
417.17212	4.8
433.16409	9.3
435.18094	11.1
445.16364	10.9
447.17780	1.7
451.17563	2.3
461.15982	17.3
463.17517	100.0
464.17978	4.9
465.19122	2.3
479.17130	4.2
481.18625	2.3
501.19174	2.7
519.20325	8.0
535.19769	3.9
537.21167	15.4
543.36487	1.1
553.20703	8.1
663.38934	1.9
675.39264	3.5
679.38422	1.4
723.38696	2.3
797.42548	25.5
798.43292	3.1
815.43591	62.0
816.43945	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	813.4913
Annotation	Glabrin C
Peak:m/z	Relative Intensity
67.05501	1.5
69.44929	9.0
70.28259	1.4
86.09700	1.7
89.06055	2.4
98.21535	2.1
102.53086	1.2
105.22671	1.3
109.12074	1.2
125.73007	1.3
184.07361	7.2
219.04349	1.3
223.73888	1.2
302.02634	1.2
346.47818	1.3
632.92963	1.2
771.48004	1.3
813.49207	100.0
814.49548	4.3
819.93457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06361	0.1
58.06611	0.4
59.07393	0.2
60.08164	6.3
69.21194	0.7
69.21624	0.4
70.06591	0.2
70.75216	0.1
71.07373	4.6
81.07034	0.3
86.09704	32.2
87.10070	0.3
91.05450	0.2
93.07047	0.1
95.08600	0.2
98.98464	4.2
104.10739	3.2
107.08675	0.1
109.13756	0.1
125.00002	21.8
137.06009	0.4
145.61569	0.1
154.30708	0.1
184.07335	100.0
185.07678	0.7
260.11948	0.1
360.33267	0.1
502.32635	0.1
520.33954	0.3
534.28265	0.1
705.43787	0.1
796.51434	0.6
814.52197	7.4
815.52313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
65.03940	2.0
67.05505	29.1
68.99786	1.1
69.07063	7.9
70.06587	1.7
71.04977	1.0
71.49898	1.1
72.26006	0.9
74.09697	1.2
74.98280	1.0
76.36892	0.9
79.05494	24.9
81.07059	25.8
83.08624	2.2
86.09722	1.0
91.05479	17.8
93.07040	22.2
95.04974	3.3
95.08607	18.8
97.10138	1.6
103.05513	1.1
105.07019	10.0
107.04950	1.3
107.08600	10.0
109.06502	1.2
109.10165	6.1
115.05533	1.0
117.07001	4.2
119.08585	8.0
121.02905	1.0
121.10146	7.7
123.04433	16.4
123.11729	1.4
125.21238	0.9
128.06357	0.8
129.07005	2.1
131.04953	1.8
131.08571	5.9
131.09406	0.9
133.10120	5.1
135.04407	5.7
135.11699	3.6
137.02325	1.2
137.09662	1.0
143.08516	1.3
145.06493	1.6
145.10141	3.7
147.04378	6.1
147.11720	3.0
149.05980	1.9
149.09674	1.0
149.13260	1.7
151.03922	2.4
151.11189	0.9
153.07033	1.8
157.10176	1.0
159.04468	1.5
159.11742	1.9
161.06021	4.7
161.13304	2.2
162.03137	3.6
163.03896	14.2
163.11104	0.9
165.05460	1.0
171.04465	3.6
173.05994	5.3
175.03902	9.1
175.07639	1.7
176.04698	2.7
177.05511	6.1
178.07852	1.1
181.06477	2.1
184.07397	1.9
185.06027	1.9
187.03918	9.3
187.07608	2.2
189.05515	8.5
189.07050	1.4
191.07007	1.5
197.06013	1.4
199.04025	1.3
199.07629	1.9
200.04741	2.2
201.03882	1.3
201.05415	6.0
201.09097	1.0
203.07054	2.3
205.06639	1.3
207.08156	1.3
209.09659	1.1
211.07605	3.0
213.05515	3.0
213.09007	1.0
215.07101	2.8
215.57463	0.9
217.10156	0.9
217.12288	1.2
219.08177	1.5
221.05934	1.1
223.07585	3.1
224.08234	1.6
225.05455	1.2
225.09181	2.6
227.07048	2.7
229.04956	1.9
233.06076	1.4
234.06779	1.9
235.07619	3.6
237.05544	2.6
239.06992	1.6
239.10542	1.2
241.08595	1.1
247.07610	2.8
248.08345	1.2
249.08957	1.1
251.06956	4.8
252.07878	3.7
255.06609	1.5
259.07660	1.2
259.20615	2.5
261.05490	1.5
261.09235	1.6
261.22235	2.0
262.06360	1.7
263.07062	9.1
264.07825	2.3
265.08707	2.2
265.12555	1.1
267.06842	1.2
274.06100	1.3
275.07053	2.6
275.10675	0.9
276.07907	1.5
277.05194	1.0
277.08612	2.2
279.06534	19.7
279.09628	1.5
280.07376	2.8
281.08096	2.1
283.06171	3.0
283.13431	2.2
285.07602	1.0
287.07242	1.7
289.05060	2.2
290.05817	3.0
291.06519	18.7
292.07349	2.1
293.08057	4.7
295.06161	2.1
297.07605	1.0
299.12747	1.5
301.14432	4.2
303.06421	4.3
304.07190	1.1
305.08069	2.7
306.05334	3.6
307.06006	23.2
308.06775	47.0
309.07507	13.7
311.09421	1.1
311.12878	1.6
313.14407	1.4
317.08279	2.0
317.13989	3.7
318.05402	2.1
318.08942	1.3
319.06158	1.6
320.06876	1.5
321.07587	18.8
322.08469	2.2
323.09216	3.1
329.13904	2.8
331.06140	4.9
331.15585	1.1
333.07587	5.8
333.24265	2.4
334.08258	1.3
335.05743	1.5
335.09250	3.7
335.25833	36.0
336.06445	1.1
336.26251	1.8
337.06693	1.1
341.14124	4.7
345.07446	1.6
346.08511	2.0
347.09302	2.4
347.15045	1.2
349.07257	2.7
351.67892	1.0
361.10776	1.8
363.08594	1.2
373.16348	1.2
381.24274	1.2
385.16510	2.2
387.15906	1.5
405.16888	6.2
415.15244	7.9
417.17438	1.2
423.46652	1.0
433.16495	26.2
435.18280	1.4
443.14917	9.7
445.16873	1.8
451.17624	4.7
459.15182	1.1
461.15970	100.0
462.16473	3.5
463.17523	13.0
463.23721	1.1
479.16986	9.3
493.18295	1.1
499.17545	2.1
517.18488	4.9
535.19659	22.3
536.19647	1.6
537.21777	1.5
553.20734	8.7
557.15991	1.1
616.17969	2.6
703.36676	1.9
721.37311	3.5
777.40497	1.9
795.41040	17.6
813.42041	48.5
814.42767	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	813.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
57.07071	2.2
64.75486	1.1
65.03944	2.5
67.05505	28.1
68.99796	1.7
69.03390	1.1
69.07068	7.8
70.06593	2.6
71.05005	1.7
75.07442	1.1
79.05492	22.1
81.03438	2.7
81.07053	25.6
83.08620	2.5
86.09711	2.4
91.05483	16.6
93.07050	24.0
95.04957	4.7
95.08605	21.5
97.10188	2.3
98.21567	4.3
103.05429	2.7
105.07034	11.2
107.04948	2.9
107.08585	9.6
109.10148	4.9
115.05445	1.9
117.07040	4.5
119.08602	8.7
119.91421	1.1
121.10172	6.5
123.04434	23.4
128.06235	2.0
128.07111	1.7
129.07019	2.1
131.08588	3.9
133.10150	4.7
134.03645	1.6
135.04453	5.2
135.11694	5.2
137.02301	1.8
143.08551	1.9
145.06459	2.3
145.10129	3.4
147.04387	6.6
147.11664	2.4
149.05998	2.6
149.13312	1.6
151.03900	2.2
157.10147	1.6
159.11665	2.6
161.06023	4.7
162.03140	2.4
163.03900	11.3
171.11661	1.7
173.05986	3.7
175.03934	7.1
176.56972	1.2
177.05470	4.7
178.07774	2.0
179.08582	1.4
181.06490	1.7
183.07884	1.4
184.07367	1.2
185.06058	2.3
187.03922	7.2
187.07535	2.0
189.05481	10.8
189.09111	1.3
191.07051	2.6
191.08598	1.3
195.08084	3.0
197.05873	2.0
199.03932	1.7
199.07666	2.3
200.04691	1.4
201.05505	5.9
201.09286	1.5
203.07024	1.6
207.07994	1.4
211.07660	2.6
213.05510	3.3
213.09108	1.7
215.07072	3.0
219.08325	1.7
221.05957	1.5
221.09695	2.1
223.07545	2.9
227.07182	2.1
227.10768	1.2
229.05078	1.4
230.66399	1.3
233.05783	1.4
234.06766	1.4
235.07509	4.9
237.05446	1.7
237.09177	1.8
239.07153	1.9
241.08965	1.3
247.07526	3.5
249.09132	2.3
251.07097	7.1
251.10701	1.9
252.07817	4.6
253.08629	2.3
255.06499	2.0
259.20636	2.6
261.05283	1.7
261.09427	1.6
261.22314	2.7
263.07004	9.2
265.04871	2.1
265.08447	1.8
267.06500	2.3
267.13794	1.6
271.06219	1.8
275.07059	3.3
277.08594	1.4
277.21762	1.4
279.06534	14.5
280.07272	4.5
281.08008	2.3
283.06042	3.0
283.13266	1.2
289.05084	1.7
291.06494	18.3
292.07187	1.4
293.08124	3.9
299.12775	1.7
301.14359	4.5
303.06549	4.1
304.07297	1.9
305.08023	3.0
306.05304	4.3
307.06012	22.9
308.06787	43.0
309.07504	14.1
311.12637	1.6
313.14328	2.7
315.06552	1.6
317.13870	3.5
319.06198	2.5
320.06711	1.8
321.07562	19.0
322.08252	2.0
323.09225	4.5
329.13983	2.1
331.05969	3.7
332.06726	1.7
333.07486	3.7
333.24313	1.7
335.09073	3.9
335.25790	29.2
336.06412	2.5
339.15997	1.9
341.13910	3.0
342.05048	1.4
345.07516	2.0
347.09390	2.3
349.07043	2.4
381.24399	1.5
389.13623	1.5
391.15613	1.7
405.16965	6.9
405.24374	2.0
415.15454	9.0
417.17194	1.7
433.16489	22.7
443.14850	9.4
445.16498	3.4
451.17508	2.9
461.15961	100.0
462.16162	5.0
463.17554	10.9
479.17014	8.1
489.19275	1.5
499.17587	2.7
509.47205	1.2
510.55255	1.4
517.18390	4.2
535.19568	18.7
537.21045	1.6
553.20343	5.6
554.20868	1.4
675.63031	1.6
721.37225	3.4
752.17242	1.7
760.26215	1.4
795.40826	14.4
813.41986	39.2
814.42023	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	812.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07115	0.1
58.06620	0.5
59.07386	0.1
60.08168	7.2
60.34204	0.1
65.36658	0.1
67.05500	0.3
69.42657	0.5
69.43089	0.4
70.06578	0.1
71.07377	4.2
79.05489	0.2
81.07036	0.2
86.09709	34.0
87.10021	0.2
87.41481	0.1
91.05482	0.1
95.08604	0.4
98.98470	4.3
104.10747	3.0
116.99480	0.1
125.00008	23.5
126.12581	0.1
137.05963	0.5
147.28947	0.1
172.72044	0.1
184.07346	100.0
185.07738	0.9
215.12801	0.2
313.27319	0.2
369.64450	0.1
453.35919	0.3
499.40607	0.1
518.32465	0.2
531.42334	0.1
611.43420	0.2
760.02020	0.1
774.02191	0.1
794.49231	0.6
812.50629	5.6
813.50757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06624	0.4
59.04979	0.2
59.07374	0.1
60.08165	6.2
67.05492	0.4
69.07066	0.2
70.06606	0.2
71.07375	4.1
71.50250	0.2
79.05470	0.2
81.07060	0.4
86.09708	32.2
87.10033	0.4
91.05485	0.2
93.07040	0.3
95.08604	0.4
98.98470	4.1
104.10751	2.4
105.07040	0.3
107.08618	0.2
109.10140	0.3
113.68668	0.1
119.08575	0.3
121.10139	0.1
125.00008	21.2
126.00304	0.1
131.08531	0.2
131.24661	0.1
143.01027	0.1
159.11641	0.1
171.84348	0.1
184.07346	100.0
185.07683	1.2
186.07768	0.2
200.72981	0.1
214.25658	0.1
222.78096	0.1
231.54259	0.1
263.20123	0.1
270.88376	0.2
281.20685	0.2
313.27127	0.1
335.25671	0.2
453.90079	0.1
550.31232	0.2
615.45752	0.3
794.52527	0.2
812.54224	3.9
813.52954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.4
57.06796	0.8
57.07076	16.7
61.02925	8.9
65.03941	0.8
67.05503	18.6
69.03427	1.3
69.07070	6.4
70.06579	0.9
71.04983	0.8
71.08628	12.7
72.84777	0.4
73.02910	2.6
75.13136	0.5
79.05489	2.1
81.03409	1.6
81.06593	0.7
81.07051	9.3
83.08616	4.7
85.02901	10.4
85.06544	0.8
85.10185	7.7
86.09711	3.3
89.06030	1.4
91.03944	6.8
91.05480	1.1
93.07045	4.1
95.08604	100.0
96.08911	1.1
97.02895	5.2
97.06523	2.8
97.10164	2.2
98.20744	1.3
98.98460	0.6
99.04444	0.7
99.08076	0.6
103.03959	0.6
103.07576	0.6
105.07027	1.5
109.10150	4.2
113.09682	0.4
115.03948	0.6
116.07096	1.0
123.08024	2.8
123.11715	1.9
124.99994	1.8
127.03922	3.0
131.68298	0.5
141.09096	7.3
145.04950	3.7
159.10170	8.7
163.06033	3.5
184.07336	10.1
215.12779	79.1
216.13077	1.0
239.23744	1.6
257.24475	1.0
313.27353	69.7
314.27728	1.9
330.48196	0.5
354.02512	0.6
453.35748	47.7
454.35849	1.9
812.50616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62402	0.4
57.03434	1.5
58.61326	0.4
61.02931	4.6
65.03938	0.5
67.05503	5.0
69.03436	3.1
69.07066	1.7
69.76210	0.8
69.76611	2.0
71.01346	0.5
71.04993	1.5
73.02929	3.4
79.05494	4.6
81.03423	4.7
81.07066	4.4
83.04984	1.0
83.08620	1.3
85.02906	4.5
85.06536	0.6
87.04481	0.5
91.03954	2.1
91.05482	4.3
91.33884	0.4
93.07029	4.7
95.04984	1.5
95.08623	1.8
97.02904	3.3
97.06543	1.4
99.04472	0.8
101.02393	1.7
103.05515	0.4
105.07035	2.4
105.17422	0.4
107.08553	2.0
109.02891	0.9
109.06533	0.6
109.10201	1.3
111.08064	0.5
117.07072	0.7
119.08585	2.4
121.06520	0.5
121.10171	2.4
123.08050	0.6
123.88791	0.4
126.05787	0.4
127.03975	1.4
129.07021	0.9
131.08595	1.6
133.10149	2.2
135.11714	1.2
147.11717	1.8
149.09663	1.9
149.13249	0.5
157.10158	1.0
159.11784	0.4
175.11209	1.0
185.04262	0.9
193.12247	1.2
203.05382	0.8
225.14812	0.8
243.08348	3.0
251.12540	0.6
267.16068	0.8
279.19373	0.4
283.15173	3.5
288.83234	0.4
333.20401	1.7
339.17795	0.7
405.02423	0.5
419.63998	0.4
439.19614	0.9
453.21030	2.3
469.20728	1.7
488.93008	0.5
501.23044	12.9
502.23514	1.0
551.28217	6.3
713.37170	1.3
779.41382	0.6
811.44452	100.0
812.44696	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	811.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.4
61.02935	5.9
67.05508	17.1
69.03427	10.4
69.07069	4.9
69.31594	8.7
71.01350	1.0
71.04980	4.1
72.81528	1.0
73.02905	3.9
77.04844	1.1
79.05497	26.8
81.03419	17.0
81.07061	18.9
83.04972	6.5
83.08609	2.9
85.02923	10.5
85.06535	2.5
91.03950	3.5
91.05485	26.1
93.07046	23.1
93.07627	1.3
94.07418	1.1
95.04970	9.7
95.08614	12.4
96.39796	1.0
97.02905	8.0
97.06527	3.0
97.10171	1.0
99.04471	2.4
101.02387	2.9
103.05441	1.5
105.04507	1.7
105.07034	19.0
105.10580	1.2
105.69704	1.1
107.04943	4.5
107.08591	7.7
109.02859	3.7
109.06518	2.3
109.10159	3.6
111.04492	1.8
111.08107	1.2
115.05442	1.2
117.07014	7.4
119.04951	1.6
119.08582	11.4
121.06516	1.6
121.10130	4.8
123.04406	2.0
123.08129	2.1
125.09665	1.3
127.03939	5.5
128.06221	2.1
129.07013	10.4
131.04959	1.5
131.08640	6.2
132.66634	1.1
133.06493	1.9
133.10152	7.1
135.08087	2.4
135.11691	2.4
137.09604	1.2
141.06989	2.0
141.23491	1.2
143.08574	5.6
145.06506	2.0
145.10098	4.8
147.07999	1.6
147.11697	9.7
147.22581	1.3
149.09613	2.8
155.08627	1.9
157.06561	1.3
157.10071	3.5
159.08022	1.9
161.09656	1.8
161.13278	4.0
163.11180	1.5
168.91476	1.1
169.10149	2.4
171.08037	2.2
171.11697	9.2
173.04433	2.4
173.13303	1.1
175.07509	1.3
175.11232	1.4
177.10905	1.1
185.09666	1.2
187.11145	1.2
189.12753	5.1
193.04950	1.2
193.12306	2.1
207.12018	1.4
207.13802	7.5
225.14926	1.6
243.08394	4.1
269.15366	4.2
281.17514	19.0
283.15140	4.4
287.16370	4.0
306.62631	1.4
326.87216	1.4
333.20425	1.4
361.20139	1.8
420.25241	1.1
425.21710	1.5
453.20944	4.8
461.80725	1.0
469.20551	1.5
487.30551	15.3
488.30804	1.6
501.22992	12.0
501.30978	2.0
551.28326	5.0
567.33093	3.0
613.33350	1.6
631.34979	3.0
713.36810	3.9
811.44568	100.0
812.44824	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	810.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
58.06610	0.3
58.61274	0.2
60.08164	7.0
67.05493	0.6
69.07059	0.4
70.06596	0.4
71.07374	4.5
78.27537	0.2
79.05497	0.3
81.07068	0.5
83.08635	0.2
86.09707	32.7
87.10048	0.3
93.07066	0.3
95.08630	0.3
98.98458	4.4
102.57156	0.2
104.10744	3.1
105.07034	0.3
112.90408	0.3
125.00005	22.0
184.07339	100.0
185.07669	0.8
335.25854	0.3
435.95364	0.3
471.76779	0.2
640.20636	0.2
722.82465	0.3
810.52844	4.3
811.51251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.2
57.30144	0.5
59.23331	0.4
59.98963	0.4
61.02923	3.8
67.05194	0.5
67.05506	3.7
69.03435	3.3
69.07073	1.9
69.72782	2.8
71.04980	1.8
73.02925	3.2
79.05492	3.8
81.03410	4.8
81.07053	3.6
83.04967	1.3
83.08634	1.0
85.02925	3.4
86.09705	0.7
87.04457	0.6
91.03960	2.9
91.05481	5.1
93.07047	3.5
95.04972	2.0
95.08620	2.6
97.02901	3.9
97.06557	1.2
98.21537	0.5
99.04461	0.7
101.02397	1.4
103.03966	0.5
105.07041	3.8
106.84998	0.6
107.04951	1.5
107.08592	2.6
109.02892	0.9
109.06532	0.8
109.10149	1.0
117.07031	0.8
119.08540	2.2
121.06544	0.7
121.10141	2.5
123.04498	0.5
123.08113	0.6
127.03900	0.9
129.07083	0.8
131.08589	1.8
133.10147	2.6
145.10132	0.8
147.11737	1.9
149.09651	1.4
151.11266	1.1
157.10190	1.7
175.11208	1.3
184.07451	0.5
185.04216	0.8
193.12305	2.6
242.47632	0.5
243.08305	3.7
259.07996	0.5
267.15991	0.9
274.90753	0.5
283.15247	2.2
313.17749	0.8
315.10666	0.7
331.18857	2.9
339.17813	0.5
351.29730	0.5
437.18552	0.6
451.19742	1.0
469.20746	0.7
501.23047	12.4
502.23651	0.9
531.25653	1.8
549.26764	3.2
573.24976	1.4
609.37573	0.5
711.35876	2.9
740.36090	0.9
791.27258	0.4
791.41705	10.5
809.42755	100.0
810.43195	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	809.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.05014	1.4
61.02935	5.1
67.05511	3.8
69.03440	3.9
69.07072	2.5
69.33845	2.7
69.34273	2.1
70.18357	0.6
71.04996	1.2
73.02927	3.2
79.05500	4.8
81.03425	4.6
81.07057	4.8
83.04989	0.8
83.08625	1.2
85.02906	4.1
87.04485	1.1
91.03963	2.4
91.05487	4.0
93.07029	2.8
95.04966	1.3
95.08643	1.3
97.02889	4.6
97.06525	0.9
97.10220	1.4
99.04477	1.3
101.02410	1.2
103.61966	0.5
105.07059	2.3
107.08626	2.3
109.02877	0.5
109.10181	1.7
110.40335	0.6
119.03846	0.5
119.08637	2.3
121.10152	2.5
127.03941	1.2
129.07024	1.0
131.08615	1.5
133.10138	2.0
147.11708	1.5
148.96660	0.6
149.09651	2.0
157.10112	0.7
165.60046	0.6
175.11348	0.6
193.12309	2.0
203.05362	0.7
223.13353	1.4
235.13373	0.6
243.08430	3.6
267.15765	0.8
283.15277	2.5
291.19418	1.1
331.18762	1.0
339.17844	1.1
451.19833	0.6
501.23044	12.9
501.30249	0.7
502.23734	0.7
549.26685	5.8
711.35077	0.7
732.10602	0.6
809.42932	100.0
810.43256	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	21.0
57.07066	5.6
59.05012	3.4
61.02923	3.8
65.03926	3.4
66.83721	2.0
67.05505	79.2
69.03439	2.7
69.07068	24.2
70.43622	2.4
70.73358	2.1
71.04977	4.0
71.08630	3.6
72.64826	1.9
74.78777	2.5
79.05495	66.9
81.03448	2.9
81.07056	78.0
83.04996	3.1
83.08600	11.7
85.10225	2.1
86.09711	3.5
89.06044	3.0
91.05478	42.7
93.06483	4.5
93.07042	65.7
95.04969	5.0
95.07992	2.8
95.08606	60.0
97.02885	5.5
97.06513	5.1
97.10174	4.2
97.54988	2.0
99.08076	2.5
105.07027	43.1
107.08587	33.2
109.06519	3.4
109.10155	22.1
115.69925	2.2
117.07017	18.0
117.17513	2.0
119.08568	26.8
121.10143	28.3
123.08088	2.6
123.11678	3.8
125.00008	2.4
129.07037	5.0
131.08559	22.3
133.10118	22.2
135.11681	19.9
143.08533	5.0
145.10152	16.4
147.11685	15.2
149.13307	9.8
151.11171	2.8
157.10141	5.5
159.11703	14.1
161.13277	8.4
163.14832	3.5
164.19029	1.9
166.53119	1.9
171.11745	5.3
173.13272	8.0
175.14850	4.0
184.07315	13.6
185.13229	5.0
187.14851	8.2
194.85355	2.0
197.13454	2.3
199.14894	2.7
201.16446	3.0
205.15863	3.1
219.17290	2.1
239.18140	2.4
241.19597	7.4
243.21216	2.2
259.20541	19.2
261.22064	6.5
275.20047	2.5
277.21738	15.6
293.21002	2.0
333.24200	15.8
335.25800	100.0
336.26083	3.8
337.27319	2.5
347.25430	2.5
351.25266	29.4
529.38922	4.8
593.45404	3.7
611.46753	40.2
667.53223	2.8
688.67944	2.3
808.52100	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	808.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	18.3
61.37873	3.5
65.03957	4.4
67.05505	100.0
69.03410	5.5
69.07069	28.1
70.75521	7.6
71.04980	3.7
79.05496	79.6
81.03417	4.7
81.07054	75.5
83.08620	10.9
85.06554	5.0
91.05479	82.7
93.07050	97.7
95.04983	7.8
95.08611	62.4
97.06512	4.5
97.10147	5.7
99.08115	4.9
103.05479	3.5
105.07030	69.3
107.08591	51.5
109.06475	4.8
109.10143	23.9
117.07029	21.8
119.08581	58.6
121.10136	36.3
123.11747	4.2
129.07021	11.6
131.08557	29.9
133.10117	45.4
135.11717	24.2
135.77925	3.5
143.08591	15.1
145.10136	27.7
147.11694	40.3
149.13245	11.9
157.10141	13.1
159.11717	24.1
160.12047	3.7
161.13293	22.5
163.14835	7.9
170.10921	3.5
171.11711	12.4
173.13274	14.1
175.11205	4.2
175.14828	10.2
183.11725	5.1
184.07356	8.7
185.13297	8.4
187.14848	7.1
197.13345	4.3
199.14771	5.3
201.16312	4.4
231.21162	5.7
241.19516	22.1
257.19101	9.3
259.20599	51.5
261.22110	13.4
295.08063	3.8
331.22812	3.9
333.24210	48.1
335.25806	98.9
335.29852	4.7
337.27335	6.5
519.41602	8.3
593.45483	8.8
611.46649	49.4
642.65594	3.7
823.72479	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	807.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.3
67.05489	23.9
68.17979	7.2
69.03436	12.7
69.07051	12.1
70.06569	22.9
71.49921	9.0
72.08129	7.7
79.05492	9.3
81.03410	17.2
81.07047	10.0
84.08138	17.5
85.02895	13.8
86.09716	14.8
88.65748	7.0
91.05505	36.0
93.07030	33.0
94.06573	32.5
95.04965	13.9
95.07343	19.9
95.08605	7.5
96.08141	42.7
97.02886	10.9
99.04463	8.3
105.07030	14.3
107.04916	6.7
108.04466	10.3
108.08121	57.0
109.02851	18.4
109.06536	7.5
110.09674	84.6
114.21783	6.7
120.08111	63.9
122.06020	30.3
122.09669	10.0
123.06794	6.6
123.08068	9.3
127.03918	19.1
133.10120	16.6
136.02264	6.2
136.07561	37.8
137.05986	12.9
137.09596	9.8
138.09128	83.8
146.05945	9.5
148.07564	23.1
149.09569	6.6
150.09094	13.2
160.03934	34.3
161.05971	9.0
163.07518	6.9
164.07074	9.1
166.08630	91.4
167.07085	16.5
177.05466	8.0
191.14304	10.1
207.06389	9.7
208.09793	7.9
211.08743	9.5
211.12303	9.5
213.10251	9.1
223.08640	10.4
225.10225	42.4
226.10951	22.6
227.08289	8.2
227.11714	16.8
235.08829	9.4
236.09433	13.5
237.10175	31.1
237.13882	13.0
238.10954	23.6
239.08084	24.9
239.11784	79.6
240.12616	23.4
248.10365	8.8
249.10068	18.6
250.10953	22.7
251.08260	10.9
251.09103	9.8
251.11794	79.9
252.08841	9.3
252.12563	19.6
253.09755	30.8
253.13350	59.9
254.10442	27.1
254.13689	6.5
255.11244	11.0
263.11691	43.3
264.12497	8.8
265.09692	27.0
265.13306	71.9
266.10345	20.1
267.11316	58.4
267.14340	10.6
268.11813	7.4
271.10730	18.0
277.09726	10.7
278.10565	13.5
279.11270	43.9
281.12875	96.0
283.10748	18.1
283.14185	7.4
285.12286	38.9
286.12976	8.0
291.11456	13.9
292.12036	8.3
293.12781	41.9
295.10840	9.4
295.14270	16.1
297.12363	13.9
298.12970	9.7
299.13956	40.4
307.10895	11.0
307.14459	9.2
309.12360	76.1
310.12787	8.3
311.13879	43.6
321.12311	15.7
327.13297	58.5
337.11465	9.5
339.13248	11.1
341.14975	79.6
351.13470	13.5
353.14844	32.0
358.15451	7.8
369.14493	49.1
371.15997	24.8
383.16043	8.5
411.15503	33.1
413.17181	24.8
414.17664	9.2
415.80817	7.3
425.16959	18.2
429.16571	20.2
435.15509	10.3
441.16534	9.5
443.18011	13.1
453.16592	68.3
460.18307	7.5
462.19882	8.6
465.16739	12.6
467.18073	8.0
471.17706	53.3
473.18967	24.4
474.20316	19.4
483.17529	9.5
485.18787	9.3
492.21558	13.4
503.19931	18.3
506.22958	10.4
513.18439	18.6
515.20062	28.2
522.22137	33.4
531.19476	15.2
533.21277	17.6
534.22260	34.5
556.20660	11.6
562.21252	10.4
574.21924	18.9
586.22119	19.9
588.23334	20.1
592.22687	19.6
594.24561	67.1
595.24982	11.1
600.23138	24.2
604.22363	18.0
606.24432	60.1
618.24567	44.6
622.23438	10.7
624.25470	84.8
636.25623	100.0
654.25977	23.5
693.28369	12.9
707.30542	16.8
721.28485	10.4
725.32019	53.1
739.28644	9.3
743.32208	10.5
753.31708	15.5
757.30389	13.3
771.31812	9.8
807.42480	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	806.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	48.8
59.05002	10.9
65.24443	0.5
67.05495	1.6
69.07067	1.4
71.08633	43.3
73.02919	1.3
73.06551	4.6
73.41105	0.6
79.05463	0.8
81.07071	1.0
83.08607	1.2
85.10182	38.9
85.16296	0.6
86.09724	0.7
87.04470	19.4
89.06031	100.0
90.06371	0.7
91.05505	0.6
91.07599	1.1
91.73794	0.5
95.04951	0.6
95.08624	0.6
97.10196	0.9
99.11732	4.5
103.07587	6.3
107.07060	1.9
113.06007	1.1
117.09147	5.0
124.99986	0.9
130.08635	2.0
131.07048	6.1
131.10632	0.7
133.08604	71.4
134.08936	0.6
135.10150	0.8
141.16347	3.3
141.43552	0.5
161.11720	1.9
175.09677	4.5
177.11223	25.4
184.07344	3.1
186.49672	0.5
199.20567	3.8
219.12259	2.1
221.13875	5.5
223.15416	0.7
237.13420	0.6
238.42235	0.6
239.14894	1.1
243.23187	3.6
263.15024	0.6
265.16559	1.5
283.17377	1.1
309.19003	1.6
327.20041	0.7
353.21698	1.0
371.22754	0.8
412.33368	0.6
468.48502	0.5
582.55115	0.6
591.35938	2.9
615.00378	0.5
806.57520	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	807.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	17.9
69.03436	12.9
69.07069	8.5
69.99900	5.9
70.06573	27.7
71.50165	6.5
79.05482	11.4
80.05014	8.3
81.03415	20.3
81.07059	13.7
82.42264	5.7
83.08636	9.0
84.08148	11.0
85.02917	11.8
86.09709	16.9
88.50967	6.2
91.05508	29.0
93.07047	24.9
94.06576	37.7
95.07335	22.4
95.08599	13.3
96.08134	35.8
97.02870	9.3
100.11273	9.6
103.05504	6.5
105.07011	11.9
107.04965	7.1
107.08654	8.1
108.04503	9.2
108.08125	71.4
109.02877	14.7
109.08941	8.1
109.10143	6.7
110.09692	76.2
119.04971	8.8
120.05251	5.9
120.08113	58.1
121.06551	7.7
121.10210	5.4
122.06052	30.4
123.04480	7.8
124.07611	5.9
127.03912	16.4
129.10223	10.3
133.10095	9.2
135.08127	6.1
136.07581	37.9
137.05983	13.8
138.09148	100.0
146.06042	6.6
148.07587	34.3
150.09151	6.8
152.07100	10.8
160.03972	19.5
166.08640	74.8
167.07069	15.2
172.04033	11.3
175.03812	9.3
175.54260	6.7
177.05458	13.4
181.04955	8.0
190.04948	7.8
201.10298	6.0
204.06602	14.8
207.06615	7.5
207.13626	6.0
209.10793	7.5
210.14899	7.6
211.12299	11.2
213.10291	17.1
223.08734	9.2
223.12355	9.4
225.10217	57.7
226.10970	17.1
227.11841	23.4
235.08762	13.7
235.12279	7.2
236.09352	8.9
237.10257	32.6
237.13867	11.1
238.11061	28.0
239.08112	24.3
239.11784	88.1
240.12587	18.6
241.13425	15.4
249.10255	15.0
250.10953	17.2
251.08113	8.4
251.09125	8.6
251.11797	79.0
252.09097	7.5
252.12488	14.6
253.09744	26.5
253.13423	57.2
254.10503	23.0
254.14153	6.7
263.11722	43.0
264.12616	9.9
265.09750	29.2
265.13330	62.5
266.10565	17.3
266.14044	7.6
267.11282	49.9
268.12000	7.4
269.12839	7.7
276.94092	7.3
277.09851	8.1
278.10452	11.0
279.11276	57.0
280.11948	13.5
281.12891	74.2
283.10748	22.7
283.14020	9.0
285.12338	35.9
291.11209	16.6
293.09790	8.1
293.12683	34.0
295.10809	10.9
296.11441	7.5
297.12317	25.2
299.13925	31.5
307.10837	12.6
309.12360	67.5
310.12933	12.5
311.13806	41.2
312.14459	9.8
319.10782	10.3
321.12381	18.2
323.14111	7.1
325.11874	18.6
326.12466	10.4
327.13434	52.3
339.13409	17.0
341.14981	69.4
351.13403	16.5
353.14893	18.9
357.14532	9.1
358.15436	7.7
369.14526	40.1
371.16061	21.1
383.15820	7.2
401.16995	8.2
411.15524	33.2
413.17157	16.4
416.19998	13.7
416.25403	7.8
425.16809	10.0
429.16583	15.2
435.15543	13.8
441.16684	14.3
442.17923	8.8
443.18045	21.0
448.18661	7.6
453.16519	56.4
460.19034	7.4
467.18332	8.7
471.17801	64.2
473.19263	13.7
474.20099	9.6
481.16293	10.6
483.17831	8.9
485.19382	11.3
487.16943	7.0
492.20905	16.5
497.19321	7.5
503.20398	9.3
506.22855	11.2
513.18787	13.2
515.19977	16.3
522.04169	8.0
522.22784	35.6
531.19550	14.9
533.21472	13.6
534.22223	26.8
556.20654	8.7
562.22064	11.0
574.21826	18.6
586.21576	22.1
588.23260	21.4
592.22772	30.8
594.24426	54.7
600.23431	21.7
601.85693	6.7
604.22699	19.8
606.24335	61.5
618.24445	33.2
622.24188	11.5
624.25580	94.0
634.23785	20.1
636.25439	77.7
642.26318	8.1
652.24677	17.4
654.26318	30.0
666.25903	7.6
707.30072	12.3
721.28119	10.9
725.31915	51.9
739.29431	9.8
753.30988	16.4
757.30518	21.9
771.30573	8.6
776.31226	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	806.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.7
57.07081	2.0
60.13408	1.4
61.02915	3.1
67.05508	35.7
69.03406	1.5
69.07078	9.8
71.05002	1.6
71.49766	1.5
72.49244	1.3
74.44909	1.7
78.20699	1.4
79.05495	23.4
81.07061	31.3
83.08597	5.7
85.02889	2.8
85.86788	1.5
91.03938	2.1
91.05483	14.0
93.07042	25.8
95.08613	24.9
97.02928	2.3
97.10182	3.0
99.08145	1.8
105.07045	10.4
105.07663	1.7
107.08601	12.3
109.10157	10.2
116.52155	1.8
117.07049	3.5
119.08593	9.6
121.10144	11.9
123.11729	4.5
131.08574	7.8
133.10147	8.0
135.11667	8.0
137.13239	1.9
145.10129	5.6
147.11688	6.1
149.13283	4.1
151.16109	1.4
159.11722	6.0
161.13292	4.0
163.14766	2.2
173.13249	5.3
175.14824	3.5
179.14284	1.4
187.14813	2.2
241.19464	2.7
243.21114	5.0
249.37489	1.7
259.20627	5.7
261.22134	15.3
311.79294	1.5
317.24680	2.8
331.26395	2.0
333.24258	2.1
335.25800	100.0
336.26099	3.3
337.27341	5.2
387.28772	4.1
521.29547	1.7
595.47375	16.2
613.48004	3.9
665.50922	6.3
749.32880	1.7
763.11090	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	806.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	12.0
57.07059	4.3
65.03952	3.0
67.05508	68.9
69.03405	1.4
69.07063	14.8
69.36808	13.5
78.85239	1.6
79.05494	51.3
81.07057	56.2
83.04977	1.8
83.08624	8.5
85.02898	4.8
85.06562	2.0
90.91596	1.8
91.05484	26.7
93.06486	3.2
93.07047	48.3
95.01309	3.5
95.04949	3.4
95.08609	53.3
97.06528	2.9
97.10160	2.5
99.08109	2.0
102.14907	1.5
105.07026	20.5
107.08598	29.2
109.10155	24.4
113.02354	2.5
117.07015	7.1
119.08591	14.6
120.77013	1.5
121.10139	22.5
121.38514	1.9
123.08108	2.1
123.11698	7.4
129.06992	1.5
131.08585	15.4
133.10143	15.4
135.11694	15.9
137.09583	1.7
137.13223	1.9
141.01917	3.0
143.08594	2.0
145.10114	10.2
147.11678	8.8
149.13249	10.1
157.10139	2.4
159.11697	7.1
161.13263	7.6
163.14836	6.0
171.11688	2.7
173.13278	7.4
175.14799	2.8
187.14796	4.2
241.19711	2.2
243.21059	7.2
259.20535	6.5
261.22208	18.3
263.23682	2.0
303.22961	2.1
304.03305	1.7
317.24738	2.2
333.24170	4.5
335.25809	100.0
336.26089	3.2
337.27274	7.5
511.29050	3.5
595.47052	11.9
613.48053	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	806.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	10.0
57.07069	5.3
59.04969	4.3
67.05500	63.5
69.03434	4.5
69.07056	21.0
69.14864	40.4
70.72433	3.6
71.08638	5.4
77.31681	3.2
79.05490	52.7
81.07053	55.3
83.08614	9.6
84.52905	3.1
85.02911	4.6
86.09714	6.5
87.99801	3.0
91.05478	42.5
93.07050	57.9
95.04955	8.4
95.08611	44.8
97.06522	7.0
97.10157	3.7
104.77670	3.9
105.07019	43.0
107.04965	17.5
107.08583	27.8
109.06540	4.4
109.10143	17.3
111.74807	3.6
113.09569	2.9
117.07009	15.9
119.08572	35.3
121.10133	15.1
123.08066	5.7
131.08540	12.7
133.10107	25.6
135.08051	8.6
135.11719	8.4
137.09604	4.9
145.10074	17.5
147.11682	9.6
149.09650	4.0
159.11688	10.1
161.13275	6.9
171.11673	6.0
173.13292	5.7
175.14822	6.1
181.80540	3.5
184.07393	18.9
187.23260	3.9
246.79454	3.4
275.20071	56.8
331.26398	4.5
335.25793	80.2
349.23764	23.1
362.93097	3.8
387.29080	4.5
520.30859	4.0
609.45056	100.0
665.50903	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	806.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	17.0
57.07067	1.7
61.02931	1.5
65.03931	2.8
67.05510	53.8
69.03426	5.8
69.07070	19.1
69.37100	5.9
69.37537	5.0
70.06612	1.5
71.05000	7.6
73.02899	2.3
75.29858	1.6
77.70316	1.3
79.05495	46.0
81.03421	79.4
81.07056	62.9
83.04985	9.6
83.08617	24.6
85.02897	4.6
85.06543	4.4
89.36090	1.4
91.05485	46.4
93.07044	42.6
95.04971	28.9
95.08616	21.8
96.05344	1.5
97.02892	4.6
97.06536	11.4
97.10165	9.7
98.21481	2.1
99.08094	2.8
101.06018	2.0
103.05473	1.8
105.04515	2.1
105.07034	34.2
107.04973	11.1
107.08603	31.4
109.02856	2.7
109.06512	6.6
109.10165	11.0
109.10815	1.5
111.04461	2.5
111.08080	7.8
115.05456	4.5
117.07015	15.2
119.08591	28.8
121.06520	7.5
121.10151	16.8
123.04485	2.7
123.08073	4.3
123.11698	4.3
125.09642	5.8
127.03942	1.9
128.06252	2.1
129.07018	13.1
131.08578	24.8
133.06497	4.6
133.10129	23.0
135.08061	4.9
135.11684	8.9
137.09596	4.2
141.07005	2.5
142.07771	3.6
143.08591	5.5
145.06528	3.2
145.10144	10.2
147.08078	4.6
147.11691	14.9
148.26010	1.5
149.09605	10.8
149.13284	10.5
151.11214	3.7
155.08560	3.5
157.10129	12.8
159.08051	2.2
159.11707	9.5
161.09589	2.3
161.13284	1.9
163.11189	6.8
165.12755	3.1
169.10226	1.9
171.08182	1.6
171.11679	4.3
173.13316	4.0
175.11189	9.1
177.12784	4.0
181.10263	1.4
183.11707	4.0
184.07356	4.7
185.13248	4.0
187.11198	1.9
187.14812	2.5
189.11235	2.8
193.12242	19.7
195.13831	3.1
197.13252	1.9
201.12746	1.7
205.12233	2.7
209.11702	2.2
217.15834	1.4
227.12796	7.2
229.14310	3.3
231.13914	1.7
249.14896	3.1
253.14359	1.9
255.15968	10.0
257.19156	3.3
259.17123	1.6
267.15933	70.9
268.16251	1.5
269.17487	32.0
273.14850	1.7
275.20065	14.1
277.14420	1.7
293.21140	2.0
301.14435	2.5
349.23752	13.9
355.97745	1.6
367.24759	4.2
369.24210	4.6
387.25357	2.1
417.26724	2.1
421.25592	4.2
443.27734	9.1
447.27344	16.0
461.28989	100.0
462.29413	5.6
467.31229	1.9
475.30762	2.0
479.30048	2.5
493.31580	10.4
501.32147	2.0
523.33972	1.8
527.29761	1.5
541.35297	28.7
542.35760	2.2
559.36517	12.7
583.36359	2.1
807.40955	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	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	25.1
57.07074	12.5
58.07413	1.7
59.05009	8.4
60.08155	1.5
61.02942	2.0
61.12618	1.5
62.45801	1.4
65.03933	4.6
67.05506	81.7
69.03427	5.2
69.07072	13.4
69.33209	13.7
69.80776	1.6
71.04995	4.7
71.08632	8.8
72.08954	1.6
73.02921	1.5
76.77547	1.4
79.05025	1.5
79.05495	56.8
81.03423	4.8
81.07059	58.4
81.07536	3.3
83.04969	3.3
83.08625	9.7
84.77477	1.5
85.02919	2.8
85.06554	13.4
85.10186	9.4
86.09710	6.0
89.06018	10.2
91.05484	43.7
91.06027	3.2
93.07048	46.8
93.07639	2.3
95.04971	62.3
95.08610	39.5
97.02879	1.9
97.06540	6.9
97.10168	4.6
99.04475	1.7
99.11750	1.8
103.05489	2.7
105.07034	29.0
107.04942	13.2
107.08603	32.1
109.06527	65.9
109.10164	14.9
111.08093	4.4
113.06000	28.1
114.18093	1.6
114.96722	1.6
116.06225	2.0
117.07002	16.1
119.08589	19.2
121.06516	5.5
121.10160	15.1
123.08086	5.5
123.11681	3.7
124.99999	6.3
125.09650	2.2
127.03930	1.7
128.06242	2.2
129.07019	9.1
130.07834	2.3
131.08582	21.6
133.06493	2.2
133.08627	5.1
133.10114	8.8
133.99127	1.7
135.08058	44.1
135.11682	14.4
137.06000	2.1
137.09619	2.6
141.06912	2.6
143.08572	10.0
145.10106	13.5
147.08018	8.1
147.11687	3.9
149.09619	6.2
149.13283	4.4
157.10097	5.9
159.08141	1.8
159.11697	7.6
161.09622	8.7
161.13272	2.4
163.11179	3.8
169.10094	2.3
171.11705	4.9
173.13284	4.8
175.14784	2.2
177.11267	2.3
177.12785	3.4
183.11790	2.0
184.07349	16.3
187.11237	2.0
187.14902	3.0
199.14772	4.1
201.12871	1.9
209.13344	2.0
217.15869	10.4
227.17873	1.9
237.16367	1.5
245.19003	3.6
245.31877	1.5
255.17484	3.2
273.18488	36.9
277.22189	1.7
291.19553	100.0
292.19720	2.2
309.20407	3.3
313.36612	1.5
317.77740	1.7
335.25812	90.1
336.26324	2.2
347.22360	9.9
365.23141	14.0
550.85620	1.8
584.44678	1.8
607.43652	12.4
625.44635	67.8
626.45361	4.3
805.32776	2.5
805.47040	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	804.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
57.07078	100.0
59.05003	29.0
60.08176	0.8
67.05516	4.7
69.07079	3.0
69.13847	7.7
71.08633	64.4
73.06535	1.6
79.05507	2.8
81.07072	3.7
83.08633	1.5
84.35337	0.6
85.06595	1.2
85.10185	62.6
86.09709	4.7
87.04473	8.2
89.06034	46.1
91.05499	2.2
93.07074	2.3
95.04982	3.7
95.08633	1.7
97.06564	0.8
97.10149	3.5
98.98506	1.3
99.08128	0.7
99.11737	13.3
101.09685	1.9
105.07053	1.6
107.05032	0.8
107.08637	1.3
109.06551	2.8
111.11736	1.1
113.06042	2.1
113.13291	5.1
117.07039	0.7
117.09141	11.2
119.08634	0.8
121.10249	0.9
125.00039	4.2
129.06993	1.0
131.07100	2.2
131.08588	1.6
133.08604	33.6
135.08092	2.4
135.11758	1.5
149.82361	0.6
149.93431	0.8
155.17923	7.6
163.26399	0.7
175.09755	1.9
177.11252	12.6
177.12718	1.0
184.07347	15.9
213.22133	12.3
219.12364	0.9
221.13927	2.5
251.74367	0.7
265.16513	1.4
271.26309	14.4
273.18625	1.1
289.18320	1.0
291.19522	5.5
329.30945	0.7
335.26074	2.9
361.98874	0.7
394.65311	0.7
400.07336	0.8
415.25720	0.8
423.29208	0.7
459.28036	5.2
464.55728	0.7
517.32910	0.9
625.44836	2.5
793.27893	0.8
804.60773	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	804.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.1
57.07075	100.0
58.78669	1.0
59.05000	53.4
60.08164	2.1
67.05486	4.1
69.03419	1.9
69.07059	5.0
69.86665	1.1
70.43374	1.1
71.08630	98.5
71.50323	1.1
71.50812	1.6
72.08965	1.2
73.06516	1.1
79.05482	4.7
81.03391	3.9
81.07050	5.3
83.08622	5.9
84.08894	1.2
85.10181	97.6
86.09702	9.1
87.04479	8.6
89.06030	47.6
90.43237	1.0
91.05461	2.2
93.07038	5.7
95.08602	3.8
97.10145	3.9
99.11726	12.7
101.05950	1.4
101.09654	3.6
103.07597	1.6
105.07034	3.0
105.79436	1.2
107.08591	2.4
109.10149	1.7
113.05991	1.9
114.95958	1.4
117.09131	22.2
119.08572	1.6
121.10120	1.3
125.00006	6.6
130.08633	2.3
131.07011	3.7
131.08566	2.3
133.08603	32.2
133.10143	1.4
139.14923	1.2
141.16377	11.1
147.11635	1.7
173.09607	1.5
175.09660	2.3
177.11230	12.0
184.07339	29.5
184.58888	1.0
199.20564	23.1
221.13669	2.0
239.14925	1.6
242.04567	1.3
257.24747	30.1
291.19406	1.6
315.28824	2.2
335.25668	2.7
336.26202	1.4
371.22733	1.8
415.25323	8.3
719.60498	1.4
804.61035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.1
59.05000	1.3
65.03945	1.8
67.05505	34.0
69.03434	7.8
69.07068	19.6
69.29359	7.7
71.04984	4.1
73.74755	1.0
79.05493	24.1
81.03419	65.9
81.07054	28.8
83.04985	7.7
83.08618	18.2
85.02905	2.3
85.06536	1.5
91.04908	1.6
91.05482	29.6
91.06027	2.0
93.07040	23.8
95.04968	26.1
95.08614	12.5
97.02890	8.5
97.06534	4.7
97.10176	13.1
98.63674	1.1
105.07033	21.4
107.04956	9.6
107.08600	17.2
109.06522	5.7
109.10148	12.6
111.04449	2.6
111.08083	6.5
115.05429	2.3
115.42816	0.9
116.95799	1.0
117.07008	8.4
117.07714	1.3
119.04952	2.4
119.08581	14.9
121.06472	6.3
121.10144	8.9
123.08081	4.1
123.11723	2.5
125.09630	9.5
128.06232	1.8
129.07013	10.5
131.08588	12.1
133.06511	5.8
133.10132	9.6
135.08076	2.7
135.11708	2.6
137.06044	1.1
137.09619	3.7
142.07790	2.4
143.08574	4.1
143.10730	0.9
145.06488	1.6
145.10098	7.7
147.08049	8.0
147.11650	5.5
149.09656	6.0
149.13312	2.0
151.11197	3.7
153.09186	1.2
155.08539	1.5
157.10112	10.8
159.08115	1.0
159.11708	2.3
161.09676	2.6
161.13190	1.5
163.11206	3.2
165.09184	1.0
165.12793	2.2
171.10161	1.3
171.11728	1.5
175.11172	6.7
184.07350	2.4
185.13234	1.5
189.11147	4.8
191.10841	1.2
193.12238	13.1
194.12534	1.0
195.13770	1.5
199.11252	1.2
201.12764	1.3
205.12323	2.0
209.80409	1.0
211.13229	1.4
212.88538	1.1
219.13815	4.0
223.13290	14.9
227.12724	8.1
228.73245	1.0
249.14812	5.4
249.72659	1.1
253.14383	9.6
267.15918	71.6
268.16187	1.1
273.18469	9.0
287.19934	1.4
291.19556	70.6
292.19897	2.8
299.94672	1.2
309.20419	1.1
313.21655	2.0
347.22247	1.2
365.23230	46.8
366.23700	1.7
387.08533	1.0
389.23083	2.1
445.25452	5.1
447.28821	1.1
459.27484	4.0
463.26718	2.3
465.30167	1.2
477.28333	3.7
483.31039	2.0
483.48987	1.1
529.35406	1.6
539.33667	8.1
557.34741	100.0
558.34961	4.9
575.36395	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	804.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	10.3
57.07077	1.2
61.02873	1.3
65.03933	4.4
67.05504	64.2
69.03432	7.7
69.07072	18.6
71.04996	6.3
78.91678	1.2
79.05494	43.6
81.03418	85.8
81.07057	64.8
82.50199	1.2
83.04985	16.1
83.08620	16.6
83.71916	1.1
83.78835	1.1
85.02890	2.6
85.06558	5.8
86.09728	1.5
91.05482	59.0
93.07044	36.3
93.26491	1.3
95.04967	34.0
95.08609	19.6
97.02857	3.7
97.06534	7.4
97.10171	4.4
99.04466	1.6
99.08086	1.7
105.07034	56.0
107.04959	11.7
107.08595	37.2
109.02860	1.8
109.06518	11.3
109.10153	49.7
111.04436	2.9
111.08091	6.8
113.06017	2.7
113.99983	1.6
115.05424	1.6
117.07030	9.7
119.04869	1.8
119.08573	24.8
121.06512	11.6
121.10136	10.3
123.04436	2.8
123.08054	7.4
123.11723	7.8
125.09649	2.5
127.07540	2.3
128.06218	2.6
129.07018	11.5
131.04887	1.5
131.08557	16.2
131.40363	1.1
131.65378	1.2
133.06506	8.5
133.10133	70.1
135.08044	6.8
135.11679	6.6
137.09613	4.4
142.07785	3.4
143.08566	5.2
145.06497	1.6
145.10106	10.1
147.08037	7.1
147.11722	7.2
149.09587	9.7
149.13234	1.4
151.07602	1.4
151.11183	28.7
157.06560	1.6
157.10147	9.9
159.08081	2.5
159.11682	3.7
161.09657	10.4
161.13316	1.9
163.11214	4.3
169.10196	2.0
169.12245	3.5
171.08057	1.5
171.11685	3.7
173.09645	2.9
175.11264	7.9
177.12727	1.9
179.10652	3.1
184.07321	4.6
185.09709	1.5
185.13216	2.1
187.11156	2.2
191.14203	1.3
193.10471	1.4
193.12239	25.5
195.11722	2.1
195.13927	1.4
199.11137	1.3
205.12209	2.4
211.11002	1.3
211.13188	2.2
215.12817	3.9
227.12727	3.1
229.14220	2.0
245.19078	3.0
251.12726	2.2
253.14354	100.0
254.14771	1.9
255.17352	1.7
261.18570	1.2
263.20114	3.0
267.15915	72.0
269.17444	4.4
273.18488	19.1
287.20007	7.3
291.19528	22.5
292.10803	1.4
309.20633	2.6
335.25974	1.5
343.22604	2.2
347.22229	6.7
365.23260	32.8
366.23352	1.7
389.23181	4.8
421.25873	2.8
445.25833	19.0
447.28864	3.1
457.25897	1.7
461.25192	2.5
463.26865	27.9
465.30014	5.2
475.27005	1.7
483.30698	3.9
539.33636	17.3
557.34735	96.1
558.34882	3.2
575.35590	6.5
599.35333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.7
57.07078	52.9
59.04999	5.1
61.02921	5.2
63.15838	2.3
65.03951	2.4
67.05507	62.6
69.03423	7.3
69.07072	29.6
69.16237	4.2
69.16640	21.0
70.06583	3.3
71.04980	7.3
71.08632	38.4
77.31697	2.3
79.05500	41.0
81.03419	8.3
81.06596	5.0
81.07059	79.1
81.86475	2.3
83.05013	11.5
83.08611	23.3
85.02926	4.5
85.06522	3.2
85.10172	18.0
86.09707	5.6
89.06036	6.2
91.05470	30.5
93.07050	43.2
95.04958	8.7
95.08614	44.5
97.02897	4.0
97.06543	12.1
97.10173	7.9
99.08092	4.4
101.09650	2.7
105.07024	25.1
107.04972	5.1
107.08603	29.4
109.06507	5.0
109.10161	19.9
111.08067	4.3
116.07079	3.9
117.07014	10.5
119.08574	17.0
121.06506	5.4
121.10171	14.8
123.08092	3.2
123.11698	7.0
124.99965	2.8
129.06984	3.3
131.08595	16.2
133.10136	19.5
135.11693	15.6
137.09552	3.0
137.13287	2.8
145.10136	11.2
147.11661	12.1
149.09627	10.5
149.13284	11.1
157.10179	5.7
159.11687	10.0
161.13171	3.6
163.11205	9.6
169.10194	2.7
173.13251	4.0
177.12772	6.3
179.14352	3.1
184.07326	15.1
195.13797	8.1
239.17926	3.4
255.15961	17.7
257.19000	6.5
257.24771	2.5
268.94717	2.1
269.17453	36.7
275.20120	19.6
293.21112	2.8
313.27390	100.0
349.23730	20.8
357.56287	2.5
413.21835	3.0
493.38861	16.4
507.40466	92.6
508.40872	5.6
547.43481	5.5
561.41595	3.7
587.46765	26.7
605.47498	8.7
651.44189	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	802.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	7.1
59.04971	1.9
65.03957	3.6
67.05503	40.8
69.03418	12.7
69.07054	11.1
70.06561	2.6
71.04997	4.1
71.08881	2.3
71.09204	2.7
79.05485	42.1
81.03416	66.6
81.07054	29.7
83.04979	9.1
83.08616	38.7
85.02901	3.8
85.06564	2.8
91.05473	51.7
93.07040	24.7
95.04958	23.0
95.08612	7.4
97.02888	3.1
97.06526	4.6
97.10168	61.4
103.05507	2.1
105.07028	20.4
107.04966	8.1
107.08585	27.5
109.06518	3.9
109.10150	9.7
111.08059	8.2
115.05397	4.9
117.07017	29.4
119.04869	2.5
119.08577	69.8
120.08845	2.4
120.88210	2.1
121.06512	6.1
121.10149	6.1
123.07967	1.9
123.11694	2.4
124.24805	2.2
125.09623	58.1
126.09967	2.0
128.06174	2.5
129.06995	11.5
130.08638	2.2
131.08595	10.5
133.06499	4.8
133.10147	8.1
135.08061	13.2
135.11707	2.2
141.07047	2.8
142.07762	3.4
143.08586	8.4
143.10739	2.0
145.06464	26.5
145.10123	5.9
147.08032	9.3
147.11699	7.2
149.09645	3.9
153.09105	11.7
155.08511	3.1
156.51788	2.1
157.10120	10.6
159.08031	8.1
159.11606	2.1
161.09563	2.6
163.07582	3.1
167.08484	2.4
169.10143	2.6
171.10138	3.2
173.09589	4.9
175.11201	7.3
189.11215	35.9
193.12256	40.4
209.25197	2.1
225.16393	3.5
227.12775	95.9
228.13101	2.4
243.17580	3.9
258.63547	1.8
261.18253	2.2
267.15909	44.2
271.16925	48.1
289.18005	16.9
290.47421	2.1
296.83664	2.3
311.19989	5.3
345.20642	17.3
363.21664	22.2
419.24380	25.3
437.25208	28.3
437.79947	2.2
537.32123	43.0
538.32654	2.9
555.33136	100.0
556.33240	4.6
775.30463	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	800.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85735	3.2
57.03415	10.2
57.07079	42.9
59.04993	9.6
67.05172	6.8
67.05503	55.0
69.03436	5.6
69.07058	19.9
69.42725	28.6
70.06607	6.7
71.04969	5.7
71.08632	20.4
79.05489	30.9
79.10734	3.1
81.03419	4.0
81.07056	54.1
83.04958	9.6
83.08604	14.1
85.10166	12.6
86.09732	17.7
87.10023	3.7
89.06034	6.6
91.05486	41.3
93.07056	31.6
95.04971	11.0
95.08602	32.7
97.06547	5.4
97.10159	6.4
98.20782	8.4
105.07048	37.5
107.04947	7.8
107.08595	30.1
109.06456	5.3
109.10163	45.5
116.07051	8.4
117.06977	4.5
119.08593	11.5
121.06502	4.8
121.10125	8.2
123.08009	4.2
123.11692	13.6
125.00001	15.9
131.08543	11.9
133.06458	8.7
133.10141	61.1
135.08032	9.9
135.11664	5.3
143.08565	7.1
145.10098	6.3
147.08156	4.0
149.09642	7.4
151.11180	25.6
157.10132	5.9
161.09590	6.8
169.12193	4.4
175.11267	5.3
177.46800	3.9
184.07320	49.5
185.07671	5.8
215.12750	5.1
245.19048	10.6
251.12914	7.5
253.14365	99.9
273.18494	34.9
291.19528	30.2
313.24039	6.8
313.27393	68.1
347.22049	14.2
365.23190	53.7
509.38339	13.2
585.44855	6.6
603.46252	100.0
604.46399	4.4
628.45709	5.6
639.08746	4.0
645.48950	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	800.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.9
57.07078	35.1
59.04998	8.7
60.08163	3.8
62.36829	2.2
67.04866	2.1
67.05167	4.6
67.05502	26.4
69.03432	7.6
69.07072	32.3
71.06210	3.7
71.07378	3.2
71.08630	24.5
77.84446	2.2
79.05492	19.8
81.03420	3.9
81.07054	26.3
83.04980	2.9
83.08625	15.2
85.10192	12.8
86.09702	22.8
87.04465	2.2
87.10043	4.2
89.06030	5.5
91.05466	12.9
93.07037	12.7
95.04967	7.7
95.08613	21.6
97.02896	9.6
97.06551	3.5
97.10188	12.7
98.98473	2.6
101.35017	2.3
105.07022	11.9
107.04951	6.8
107.08575	13.2
109.10166	13.2
114.75153	2.1
116.07125	4.4
117.07030	6.6
117.09178	3.5
119.08578	7.8
121.06479	2.6
121.10136	5.9
123.08036	3.3
123.11694	3.5
124.99982	14.2
125.09635	9.2
129.07083	3.7
131.08578	8.6
133.06499	4.3
133.10159	5.9
135.08005	3.2
143.08595	2.7
145.10126	6.7
147.08081	4.8
149.13351	2.3
157.10158	3.3
159.11736	2.4
161.09723	3.2
175.11256	2.5
184.07341	53.3
185.07710	8.7
186.07800	2.7
189.11252	4.1
193.12202	2.2
223.13350	20.2
227.12805	4.9
249.14886	3.8
257.24631	2.5
273.18497	12.6
291.19547	100.0
310.91632	2.5
313.27359	83.5
347.22177	4.4
365.23260	51.2
365.27414	4.5
366.23578	3.9
514.09430	2.4
523.40100	4.7
550.23181	2.7
603.46222	84.1
604.45941	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	800.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.9
57.03426	2.2
57.07079	7.5
57.51897	0.6
59.05011	0.7
60.07939	0.6
60.08173	6.4
67.05186	1.3
67.05509	12.1
69.03426	1.0
69.07072	3.7
71.07375	4.9
71.08639	4.4
71.50341	0.8
79.05493	6.1
81.03422	1.8
81.07058	13.1
83.04971	1.7
83.08634	3.2
85.06535	1.1
85.10185	2.4
86.09711	30.2
89.06014	0.8
91.05492	10.8
93.07057	7.3
95.04951	2.1
95.08621	6.0
97.06523	0.9
97.10181	1.3
98.98460	2.4
104.10734	2.2
105.07034	7.6
107.04965	1.8
107.08611	6.3
109.06522	1.8
109.10166	9.4
117.07047	1.4
119.08582	2.0
121.06531	0.8
121.10130	1.3
123.11729	1.4
124.99102	1.1
125.00008	20.5
129.06990	0.7
131.08553	2.2
133.06490	0.9
133.10138	13.9
135.08051	1.4
135.11699	1.6
145.10112	1.6
147.11612	0.9
149.09576	1.7
151.11195	6.1
161.09618	1.3
169.12225	0.9
175.11234	0.7
177.09187	0.9
184.07347	100.0
185.07721	1.3
253.14363	34.3
254.14798	0.9
263.20013	1.9
273.18597	4.6
291.19507	5.4
309.20609	0.9
313.24249	0.6
313.27377	16.1
347.22174	2.1
365.23239	7.4
509.38541	6.7
535.49756	0.7
585.45428	1.5
603.37372	1.2
603.46271	17.5
782.44043	0.7
782.57428	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	799.533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
58.35407	0.7
61.02933	6.1
67.05510	6.4
69.03429	2.5
69.07073	1.6
70.70028	1.5
71.01337	0.8
71.04976	0.7
73.02919	4.5
79.05504	3.1
81.03410	1.6
81.07059	5.8
83.08632	1.7
85.02910	5.8
86.09715	0.9
87.04437	0.6
91.03962	4.2
91.05473	1.6
93.07053	3.7
95.08620	4.4
97.02880	4.3
97.10268	0.6
99.04491	0.9
101.02362	2.8
105.07021	0.9
107.08603	1.9
109.02921	1.1
109.10187	1.9
115.03922	0.7
119.08529	1.0
121.10178	1.8
127.03912	1.9
131.08633	0.8
147.11772	0.8
184.07396	2.3
230.13759	0.6
237.30522	0.6
243.08464	1.7
250.41499	0.6
427.94113	0.8
443.32498	0.6
519.29321	7.6
521.30798	5.9
799.53302	100.0
800.53583	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	798.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
57.07077	0.8
58.06642	0.6
60.08165	6.2
67.05506	0.6
67.84698	0.1
69.07069	0.4
71.07378	3.2
71.08635	0.5
71.47305	0.2
72.84299	0.2
79.05499	0.4
81.07059	0.8
83.08636	0.3
85.10162	0.2
86.09708	29.6
87.10038	0.3
87.27518	0.2
91.05499	0.6
93.07050	0.3
94.62177	0.2
95.08616	0.6
97.10182	0.3
98.98467	3.6
104.10740	2.2
105.07012	0.2
107.08597	0.3
109.10140	0.7
117.07055	0.2
119.08555	0.9
125.00008	21.6
133.10112	0.2
139.42044	0.2
184.07344	100.0
185.07741	1.1
186.07886	0.3
201.14847	0.4
227.12819	0.5
289.17816	0.2
311.25894	0.2
313.27444	0.8
389.92609	0.2
439.37747	0.3
452.27237	0.2
529.15656	0.2
601.44666	1.0
615.93323	0.2
780.55328	3.4
781.55859	0.2
798.52429	0.2
817.49420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.4
61.02924	5.6
67.05505	5.2
69.03432	3.9
69.07067	1.1
69.31187	3.0
71.01360	0.5
73.02919	4.2
79.05492	3.7
81.03416	2.0
81.07058	5.8
83.08614	0.5
85.02900	5.4
86.09696	0.5
87.04480	0.6
91.03951	3.2
91.05460	2.2
93.07047	4.6
95.08596	4.8
95.88418	0.4
97.02891	5.3
97.10186	0.4
99.04473	1.0
101.02361	2.0
103.03937	0.5
105.07024	1.6
107.08588	2.4
109.02863	0.6
109.10149	2.1
117.07031	0.4
118.99518	0.4
119.08569	0.9
121.10147	2.0
123.11782	0.7
127.03943	0.9
131.08546	1.0
133.10147	0.9
135.11736	0.9
145.10176	0.4
149.13190	0.4
184.07343	0.5
185.04268	0.9
203.05345	0.6
243.08432	1.5
243.20450	0.4
335.25760	0.5
423.58832	0.4
519.29279	13.0
520.29236	0.7
568.88892	0.4
630.62598	0.4
709.90540	0.5
797.51685	100.0
798.52063	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	798.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.8
57.06838	1.0
57.07080	12.1
59.04996	2.6
60.08166	1.4
61.02903	0.9
65.03944	0.9
67.05505	19.7
69.03440	4.5
69.07072	8.9
69.44975	3.7
69.45398	1.3
71.05000	1.0
71.07371	1.1
71.08633	7.5
75.86562	0.7
79.05495	17.9
81.03411	0.7
81.07053	17.9
83.04984	3.7
83.08618	20.7
85.02875	0.7
85.06530	1.6
85.10178	4.9
86.09696	5.7
89.06018	1.0
91.05477	20.8
93.07030	9.3
95.08606	8.7
97.10169	39.2
98.98454	0.9
101.09635	0.8
103.05473	0.7
105.07023	2.9
107.04945	1.6
107.08593	16.5
109.06484	0.9
109.10158	6.7
111.08088	1.8
115.05465	3.5
117.07021	18.7
119.08582	37.9
121.06493	1.8
123.11716	0.9
123.93990	0.6
125.00016	3.9
125.09631	39.0
128.06229	0.9
129.07004	1.7
131.08571	3.2
133.06462	0.7
135.08041	6.6
135.11652	0.8
143.08586	4.6
143.10623	1.9
145.06490	16.7
145.10147	2.1
147.08054	3.0
153.09158	3.3
155.08569	1.4
157.10100	2.8
158.07410	0.7
159.08054	5.9
161.09633	1.6
163.07523	2.1
169.10088	1.3
171.10240	3.5
171.11502	0.9
173.09656	1.6
183.11685	1.1
184.07335	18.2
185.07771	0.8
186.07716	0.7
189.11217	26.9
211.14824	0.8
225.16393	1.2
227.12779	100.0
228.13087	1.4
235.14841	1.3
239.23846	1.1
241.19026	0.7
243.17474	2.1
253.15897	1.8
268.70087	0.7
271.16916	37.3
272.17249	1.4
289.17999	9.3
313.27350	23.2
327.19434	0.7
345.20651	8.8
352.44528	0.7
363.21628	11.4
483.36728	10.9
484.36539	0.7
583.43567	17.2
584.44318	0.8
601.44586	34.3
602.44733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.7
58.06635	0.5
60.08164	6.4
67.05499	0.3
69.37033	1.1
71.07372	3.7
76.66411	0.1
79.05508	0.2
81.07054	0.2
86.09703	30.9
87.10033	0.2
95.08598	0.2
98.98460	4.0
104.10739	2.4
105.07019	0.2
119.08575	0.2
125.00002	20.9
136.24542	0.1
143.01028	0.1
184.07335	100.0
185.07707	1.3
186.07802	0.2
261.50360	0.2
520.33667	0.3
778.53802	3.5
779.52856	0.2
796.52301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.7173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
57.03428	1.2
57.07077	23.7
58.06598	1.1
59.04990	1.0
59.20147	0.6
60.08171	3.1
67.05507	13.2
69.03432	0.7
69.07069	34.3
69.25365	2.7
69.25796	2.7
70.06593	0.8
71.04999	1.2
71.07360	2.5
71.08630	13.2
72.04507	1.1
72.08161	3.0
78.30553	0.5
79.05501	5.0
81.06593	1.3
81.07057	19.5
83.04968	1.7
83.08619	29.0
84.08121	1.1
85.06535	1.6
85.10179	6.2
86.06072	4.9
86.09705	23.2
87.04466	0.6
91.05482	1.6
93.07040	10.7
95.07990	0.9
95.08604	18.6
97.06522	5.3
97.10165	21.6
98.98454	2.4
99.08088	1.1
100.07609	6.3
101.25044	0.6
104.10748	1.5
105.07014	1.3
107.08601	8.1
109.10157	9.4
111.08080	7.0
111.11724	7.7
114.09175	7.2
119.08571	1.3
120.71995	0.5
121.10141	9.4
123.11706	3.9
125.00000	14.5
125.09631	3.5
125.13251	2.5
128.10747	3.7
133.10159	1.1
135.11705	10.3
137.13248	1.9
139.11215	3.1
142.12257	1.7
147.11694	0.9
149.13263	6.9
151.07529	0.9
151.14819	1.2
153.12744	1.8
156.13850	1.8
163.14803	3.7
165.16382	1.0
167.14311	1.2
170.15350	1.1
171.10226	0.6
177.16394	1.3
181.15854	0.8
184.07343	59.8
184.16949	1.9
185.07686	0.7
191.17993	1.4
198.18538	1.4
200.31851	0.6
205.19490	1.1
208.67044	0.6
212.20090	1.6
221.22610	0.7
223.20454	0.7
226.21715	1.4
240.23190	1.6
247.24149	1.4
254.24847	0.9
265.25281	0.7
268.26282	1.0
282.27899	1.1
289.41037	0.6
303.30478	11.5
321.31512	22.3
337.27402	2.6
338.34164	100.0
339.34424	3.9
382.78107	0.6
766.98950	0.7
796.54449	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	795.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75997	0.4
57.03450	1.9
59.04989	0.4
61.02924	4.4
67.05499	3.6
69.03434	2.8
69.07059	1.7
69.42376	1.1
69.42798	1.7
70.06582	1.1
71.01352	0.5
71.04990	1.2
73.02905	3.1
79.05494	4.3
81.03419	3.9
81.07064	4.3
83.04993	0.7
83.08615	1.1
85.02901	4.4
85.06553	0.5
86.09709	0.5
87.04462	0.4
91.03950	2.4
91.05474	4.7
93.07047	3.9
95.04962	1.3
95.08609	3.2
97.02887	3.8
97.06541	0.7
99.04482	1.4
101.02390	1.8
101.83567	0.4
103.03895	0.4
105.07019	3.7
107.04983	0.5
107.08588	2.6
109.06523	0.5
109.10185	0.7
111.08064	0.6
117.07059	0.7
119.08591	2.8
121.10125	2.1
127.03932	1.4
129.05484	0.8
129.07027	1.1
131.08560	1.5
133.10129	2.0
135.11696	1.0
136.08138	0.4
145.10152	0.5
147.11720	1.7
149.09631	1.0
157.10164	0.8
161.13356	0.6
175.11165	0.8
184.07390	0.6
185.04184	0.4
193.12294	1.3
200.12872	0.4
225.15044	0.6
243.08411	3.4
259.20551	0.4
283.15097	4.2
301.08997	1.7
317.20972	0.8
329.41254	0.4
339.17743	1.0
371.16425	0.4
381.18991	0.7
385.17136	0.4
386.09470	0.5
441.21014	0.6
465.21115	0.9
469.20438	0.5
501.23065	10.8
502.23608	0.6
510.90540	0.4
529.22717	0.9
535.28772	6.9
539.33514	0.5
573.25189	1.3
601.29041	0.5
782.41724	0.5
788.51300	0.4
795.45007	100.0
796.45081	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	795.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	0.7
64.81447	0.7
69.22414	4.3
69.22821	1.4
71.10154	0.5
76.47102	0.5
79.75769	0.5
83.08630	0.6
83.73742	0.6
86.09710	2.1
87.04472	2.4
88.93934	0.5
95.08629	0.8
98.21521	1.7
123.04417	0.7
125.00024	1.9
128.61050	0.7
130.35626	0.6
139.39209	0.6
157.03844	0.6
184.07356	6.7
209.03241	0.7
214.71584	0.6
223.08980	0.6
231.67807	0.7
393.00290	0.7
435.21402	0.6
535.26849	1.2
760.12775	0.7
795.42816	100.0
796.43390	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	795.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15549	0.8
56.90918	0.8
57.03444	1.9
57.07059	3.0
61.02934	4.5
65.03947	2.4
67.05511	4.9
69.03436	4.1
69.07060	2.7
70.06600	9.6
71.08613	1.1
71.50505	1.1
72.14480	0.8
73.02914	3.8
79.05486	5.1
81.03423	4.9
81.07053	6.9
83.04993	0.8
83.08627	1.8
84.08102	1.2
85.02915	4.5
86.09693	3.2
88.07635	8.0
91.03941	1.3
91.05478	4.0
93.07022	2.9
95.04970	1.7
95.08609	2.8
97.02899	5.1
97.06469	0.9
97.10149	1.2
101.02380	1.6
102.09190	5.5
105.07025	3.2
107.08601	2.3
109.02905	1.3
109.10134	1.2
111.04485	0.9
117.07015	1.3
119.08549	2.9
121.02848	1.1
121.10137	2.7
125.00012	1.7
125.09594	1.3
127.03953	1.4
127.29449	1.0
131.08551	2.1
133.10132	2.7
135.11559	0.9
139.03880	1.5
140.06084	0.9
143.08490	1.0
149.02356	25.6
149.03459	1.9
149.09665	1.2
150.02687	5.7
150.03767	1.5
151.11136	1.1
157.10139	1.2
163.03932	1.5
184.07318	8.5
185.04213	1.1
188.75354	0.8
193.04956	13.5
194.05296	4.6
200.20099	17.7
201.20453	6.8
222.22662	0.9
237.07600	3.1
238.07933	1.2
243.08426	3.7
283.67926	0.8
291.19519	1.7
292.04794	0.9
315.67422	0.9
331.18716	2.2
338.35440	0.9
359.07632	1.0
385.09436	0.9
433.72607	1.0
443.18930	6.4
467.19128	1.0
469.20554	2.0
487.21677	5.5
526.24176	1.1
549.26599	4.9
578.13562	1.4
619.96271	1.1
621.15820	1.1
622.15771	4.1
648.97797	1.0
715.14545	0.9
747.58423	0.9
777.40607	2.3
795.42322	100.0
796.43030	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	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.3
57.07074	5.6
59.04994	1.3
61.02921	4.1
65.03944	4.0
67.05506	100.0
69.03429	2.0
69.07069	36.1
70.79607	2.7
71.04994	2.7
71.08636	2.6
73.02911	2.0
79.05492	50.4
81.07056	98.5
83.04973	2.0
83.08616	15.6
84.92832	1.2
85.02895	3.9
85.06538	1.7
85.10178	1.7
86.09694	1.5
87.04476	2.6
91.05482	26.5
93.07041	54.0
95.04974	3.8
95.08607	76.2
97.02896	2.2
97.06532	4.2
97.10175	7.0
99.08077	2.2
100.27884	1.4
105.07026	23.4
106.36156	1.2
107.08590	29.6
107.09308	1.8
108.78179	1.2
109.06564	2.0
109.10155	27.5
111.08096	1.9
117.07044	6.4
119.08580	17.7
121.10146	26.0
123.08047	1.5
123.11720	11.3
131.08545	9.7
133.10152	14.2
135.11697	15.8
137.13290	5.6
143.08505	2.0
145.10132	7.9
147.11699	12.9
149.09584	2.1
149.13263	9.8
159.11658	5.9
161.13245	8.9
163.14824	7.7
167.14314	1.9
171.11786	1.6
173.13235	7.9
175.14836	4.8
177.16394	2.1
184.07370	3.1
185.13223	1.9
187.14845	4.0
189.16362	1.8
201.16406	1.9
205.15907	1.3
241.19624	1.5
243.21123	5.6
245.18916	1.4
245.22635	2.1
259.20511	3.9
261.22134	19.2
263.23666	4.1
317.24680	4.6
333.24152	2.6
335.25809	75.4
336.26093	4.0
337.27371	88.6
338.27734	2.2
339.28818	6.4
348.24118	1.5
387.66525	1.4
393.26813	1.3
444.87039	1.5
523.45184	3.8
541.46503	2.7
545.41980	1.6
597.48730	29.4
598.48987	1.4
615.49805	23.4
616.50079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.9
57.03433	0.3
57.07079	0.6
58.06604	0.3
59.04991	0.2
59.07401	0.2
60.08166	6.1
67.05500	1.0
69.07063	0.4
71.07375	4.2
79.05506	0.7
81.07066	0.8
83.08636	0.3
86.09708	31.5
87.04478	1.1
87.10040	0.4
91.05486	0.5
93.07037	0.4
95.08606	0.8
98.98464	4.0
104.10750	2.7
105.07018	0.3
105.46967	0.2
107.08614	0.3
109.10175	0.2
112.61912	0.2
117.07046	0.2
119.08582	0.2
125.00009	21.8
137.98441	0.2
143.01057	0.4
184.07344	100.0
185.07687	0.7
205.23021	0.2
222.13739	0.2
267.15909	0.3
326.15927	0.2
335.25778	0.3
377.79120	0.2
597.44116	0.2
611.46759	0.2
794.53571	4.0
795.52039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.5
59.04979	1.4
61.02923	4.1
63.49042	1.2
65.03944	1.2
67.05486	5.4
69.03096	1.3
69.03434	16.3
69.07072	7.1
69.28345	4.6
69.28773	5.0
70.06605	6.2
70.32487	1.1
71.01369	1.3
71.04969	1.4
72.08147	1.5
73.02922	15.2
79.05492	4.5
81.03410	4.6
81.07058	5.7
83.05010	1.3
83.08587	1.4
84.04496	2.0
84.08133	3.1
85.02906	14.5
86.09716	3.6
87.04484	1.6
91.05467	9.6
93.07043	5.9
95.04963	2.5
95.08607	13.4
97.02872	10.1
98.21503	2.5
103.05472	1.9
105.07028	10.0
107.04951	2.3
107.08597	11.3
109.02879	3.4
109.06551	2.0
109.10152	8.1
115.03922	3.7
115.05473	1.4
116.54114	1.0
117.07015	3.3
119.04941	5.9
119.08585	31.0
120.08062	2.3
121.02866	1.3
121.06512	4.4
121.10139	8.8
123.04426	43.1
123.08047	1.5
123.11683	3.9
127.03915	4.9
131.04938	2.8
131.08560	3.0
133.04945	3.9
133.10126	31.6
135.04399	1.4
135.08051	2.3
135.11690	11.2
137.05994	7.7
137.09598	3.7
139.03889	2.4
141.05455	3.0
145.04953	3.0
145.06497	1.8
145.10133	2.9
147.04413	18.7
147.08057	1.3
147.11693	6.0
149.06003	9.2
149.13216	3.1
151.03906	14.2
151.07411	1.5
153.05481	8.7
161.05945	4.8
163.03894	3.0
163.06239	1.5
163.07552	9.5
165.05479	100.0
166.05885	1.3
167.07048	5.7
173.05962	2.1
173.13304	3.4
175.07541	3.9
175.14825	88.1
176.15202	2.0
177.05452	16.4
179.07008	6.3
181.04956	1.6
189.05476	10.4
191.07040	36.9
193.08594	14.7
193.15898	15.5
195.06479	1.9
203.07019	3.7
205.08623	5.0
207.06543	5.6
209.08044	6.4
217.08650	1.7
219.06375	1.5
219.10175	2.5
231.06558	4.7
233.11787	1.5
243.06586	2.2
245.11732	1.6
257.11743	2.4
261.07556	3.1
267.10944	1.1
271.13248	1.8
273.07785	1.3
279.08792	2.4
285.07639	1.8
299.09000	5.6
303.05374	1.1
303.08621	6.1
313.17987	47.7
314.18237	2.1
317.10193	48.3
329.10120	1.2
331.18976	21.6
341.10205	3.5
343.11969	3.5
352.73685	1.2
359.11362	2.5
381.08063	1.2
387.14453	2.0
427.20947	1.4
431.13452	6.6
445.22113	2.0
447.21606	2.3
449.14270	7.7
457.22159	1.2
461.14264	1.7
463.23154	2.0
465.22726	9.7
475.23300	1.6
483.23807	9.8
493.24008	2.1
611.19958	1.7
615.28265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
57.07063	0.4
59.05006	0.7
61.02930	5.2
67.05508	4.6
69.03430	4.1
69.07067	1.2
69.27099	3.5
71.01366	0.8
71.04995	1.7
71.44872	0.4
73.02921	4.3
73.47747	0.3
78.53483	0.4
79.05494	4.1
81.03426	3.6
81.07057	6.4
83.08635	1.1
85.02913	5.0
87.04468	1.0
91.03959	2.8
91.05006	0.4
91.05483	2.6
93.07050	4.4
95.04995	0.8
95.08613	3.3
97.02890	4.9
97.06543	1.1
99.04424	0.4
101.02370	1.9
103.03979	0.5
105.07046	2.1
107.04942	0.4
107.08598	2.3
109.02866	0.8
109.06539	0.6
109.10155	1.4
111.08072	0.4
113.42829	0.4
115.03945	0.4
119.08627	1.4
121.10141	2.2
123.11707	0.5
127.03947	1.7
129.07027	1.0
131.08611	1.2
133.10153	1.0
135.11728	0.9
145.10143	0.6
147.11665	0.9
149.09641	1.4
157.10165	0.9
185.04274	0.5
193.12375	0.7
225.14799	0.6
233.11526	0.7
243.08385	2.0
267.15900	1.7
297.16748	12.4
353.19504	1.6
370.41461	0.4
441.21146	0.5
515.24670	10.2
519.29437	4.5
580.56342	0.5
793.47064	100.0
794.47498	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	793.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
59.05017	0.6
59.60253	0.3
61.02926	3.6
64.75555	0.3
67.05504	3.4
69.03442	2.5
69.07071	2.3
69.21752	0.4
69.45205	2.8
71.01366	0.4
71.04996	1.3
73.02918	2.8
79.05496	3.9
81.03417	3.6
81.07053	4.1
83.04998	1.1
83.08625	1.0
85.02901	3.2
85.06563	0.6
87.04513	0.7
91.03955	1.8
91.05481	4.7
93.07053	2.8
95.04975	1.5
95.08603	2.3
97.02896	3.3
97.06559	1.3
99.04444	0.9
101.02398	1.5
105.07026	3.3
107.04953	1.1
107.08600	1.6
109.02895	0.8
109.10159	0.4
111.04482	0.4
111.08120	0.5
117.07050	0.8
119.08580	2.6
121.10160	2.0
122.86398	0.4
123.08060	0.8
123.11703	0.5
127.03949	1.0
129.07027	1.0
131.08560	2.3
133.10132	3.0
135.11713	0.7
143.94876	0.4
145.06540	0.4
145.10164	0.6
147.11728	1.6
149.09642	2.2
157.10159	1.0
159.11760	0.4
165.09203	0.4
175.11118	0.8
179.14340	0.7
184.07321	0.6
193.12260	1.0
202.27132	0.4
203.05251	0.5
243.08418	3.2
243.10587	0.4
267.15988	0.9
275.20105	0.6
275.35947	0.4
283.15137	2.0
304.26788	0.4
315.19186	3.0
339.17825	0.6
353.87085	0.5
371.22021	0.8
453.21338	0.4
469.20560	0.6
483.22372	0.6
501.23007	10.5
533.27277	7.2
631.37994	0.5
793.43457	100.0
794.43683	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	793.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66637	0.7
57.03432	1.5
57.07070	0.7
61.02931	3.5
67.05501	5.3
69.03426	4.0
69.07064	2.7
69.46344	1.9
69.46765	3.5
71.04990	3.3
73.02917	2.8
79.05503	3.2
81.03411	1.5
81.07062	6.7
83.08625	1.3
85.02885	4.3
86.48898	0.7
87.04471	0.7
91.03977	1.6
91.05477	3.9
93.07057	3.6
95.05005	1.3
95.08610	1.8
97.02886	3.2
97.10184	1.5
99.04473	0.8
101.02383	1.3
105.07035	2.6
107.08582	1.8
109.02914	0.7
109.10174	1.3
119.08596	1.1
121.10123	1.5
123.04428	0.8
123.11787	0.9
123.53364	0.7
124.99963	0.6
125.09666	1.1
127.03949	1.4
131.08618	1.1
133.08658	0.8
133.10135	2.5
135.11667	0.9
145.10190	0.7
149.13185	0.7
151.11208	1.3
163.03958	0.7
184.07390	1.6
199.70346	0.6
223.13330	0.9
243.08463	2.7
257.17648	0.8
267.15628	0.8
291.19434	1.0
309.07010	1.1
313.27420	1.2
321.07440	0.8
331.18924	1.0
380.01437	0.8
388.22232	0.7
462.16583	1.6
463.17004	2.1
485.23575	7.4
537.20831	0.9
549.26685	3.6
775.41711	0.8
793.43414	100.0
794.43500	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	793.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66637	0.7
57.03432	1.5
57.07070	0.7
61.02931	3.5
67.05501	5.3
69.03426	4.0
69.07064	2.7
69.46344	1.9
69.46765	3.5
71.04990	3.3
73.02917	2.8
79.05503	3.2
81.03411	1.5
81.07062	6.7
83.08625	1.3
85.02885	4.3
86.48898	0.7
87.04471	0.7
91.03977	1.6
91.05477	3.9
93.07057	3.6
95.05005	1.3
95.08610	1.8
97.02886	3.2
97.10184	1.5
99.04473	0.8
101.02383	1.3
105.07035	2.6
107.08582	1.8
109.02914	0.7
109.10174	1.3
119.08596	1.1
121.10123	1.5
123.04428	0.8
123.11787	0.9
123.53364	0.7
124.99963	0.6
125.09666	1.1
127.03949	1.4
131.08618	1.1
133.08658	0.8
133.10135	2.5
135.11667	0.9
145.10190	0.7
149.13185	0.7
151.11208	1.3
163.03958	0.7
184.07390	1.6
199.70346	0.6
223.13330	0.9
243.08463	2.7
257.17648	0.8
267.15628	0.8
291.19434	1.0
309.07010	1.1
313.27420	1.2
321.07440	0.8
331.18924	1.0
380.01437	0.8
388.22232	0.7
462.16583	1.6
463.17004	2.1
485.23575	7.4
537.20831	0.9
549.26685	3.6
775.41711	0.8
793.43414	100.0
794.43500	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	792.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
57.07077	32.9
59.05006	15.0
61.02929	1.0
67.05512	4.0
69.03434	1.4
69.07066	2.9
71.08633	55.7
71.88139	0.7
73.02905	1.7
73.06556	5.1
76.45606	0.8
79.05498	2.0
81.03439	1.1
81.07053	4.2
83.04957	0.8
83.08608	1.9
85.02889	1.5
85.10184	30.2
87.04473	19.0
89.06032	100.0
91.05481	2.0
93.07056	2.7
94.92310	0.8
95.08620	1.6
97.10139	1.0
103.07604	7.0
105.07013	1.7
106.07412	1.1
107.05046	0.8
107.07080	1.2
107.08601	1.1
107.25037	0.7
109.06523	0.8
109.10173	1.6
109.52032	0.7
113.06031	1.2
117.09155	6.2
119.08558	2.6
121.10162	1.7
123.04456	0.8
127.14855	3.3
130.08653	2.3
131.07069	6.2
131.08543	0.9
133.08606	70.1
145.10112	1.0
147.11649	0.9
151.09567	0.8
157.10066	0.8
161.11749	1.5
171.11746	0.8
175.09727	4.5
175.11049	0.9
177.11227	27.3
184.07379	2.3
185.07780	0.9
185.19075	5.0
219.12273	1.0
221.13768	5.8
228.98781	1.1
229.21654	4.3
239.14777	0.9
265.16476	2.0
283.17538	2.6
284.63672	0.8
299.14890	1.3
300.20920	1.1
309.18890	1.3
313.27216	0.8
327.20190	1.2
335.25894	1.2
353.22263	0.9
395.74875	0.7
397.24197	1.1
400.91360	0.8
462.16486	1.5
591.36176	4.0
792.41779	8.4
792.56909	1.8
793.43439	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	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.3
57.03436	11.5
57.07076	3.4
61.02919	3.9
65.03937	2.7
67.05506	65.7
69.03430	1.8
69.07074	17.2
69.41508	11.0
71.05009	1.7
71.40913	1.3
77.03933	1.4
79.05023	1.4
79.05494	42.1
81.07056	63.0
83.08623	5.7
85.02894	2.1
85.06555	1.7
91.05482	25.7
93.07047	50.1
93.07642	2.4
95.04969	3.7
95.08611	47.1
97.02894	1.5
97.06533	2.7
97.10175	4.8
98.21561	2.7
99.08089	2.2
105.07033	19.0
107.08593	22.2
109.10162	18.3
117.07032	6.5
119.08577	16.9
120.96439	1.1
121.10141	20.4
123.11664	6.6
131.08569	13.9
133.10138	16.2
135.11693	15.4
137.13260	3.0
143.08560	3.3
145.10126	8.2
147.11691	10.5
149.13226	7.6
157.10141	1.8
159.11713	8.7
161.13243	6.7
163.14841	4.2
171.11658	2.2
173.13269	7.6
175.14864	2.3
177.16393	1.2
184.07375	6.1
185.13208	1.8
187.14882	2.5
189.16415	1.2
199.14882	2.1
201.16328	2.2
241.19572	4.3
243.21101	4.9
259.20551	6.7
261.22141	19.9
263.23868	1.4
276.90387	1.2
317.24768	2.5
321.16187	1.4
333.07550	1.2
333.24237	4.3
335.25812	100.0
336.26190	3.1
337.27448	9.4
360.39203	1.3
380.06812	1.4
416.04913	1.4
439.48114	1.3
521.43286	1.8
595.47296	12.6
613.48071	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	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05513	19.5
57.03442	14.6
57.07078	2.7
61.02925	3.7
65.03942	3.9
67.05505	78.6
69.03436	1.9
69.07068	19.6
71.04987	1.9
71.08627	1.0
73.02916	1.1
78.29829	0.9
79.05017	1.3
79.05493	51.2
81.07056	77.8
82.07381	1.4
83.04990	2.9
83.08626	9.6
85.02901	2.2
85.06551	1.9
91.03933	1.3
91.05480	30.9
93.07045	61.7
95.04975	2.2
95.08608	56.0
97.02885	2.6
97.06531	4.5
97.10157	3.7
99.08073	1.6
105.04558	1.5
105.07029	24.1
107.08597	31.2
109.06503	1.8
109.10162	28.6
111.08092	1.5
117.07018	9.2
119.07809	2.0
119.08586	23.3
121.10141	25.7
123.11700	8.2
129.07005	2.2
131.08557	15.6
133.10136	14.8
135.11684	16.6
137.09665	1.1
137.13280	4.1
139.11258	1.3
143.08586	1.9
145.10120	13.9
147.11678	10.6
149.13272	9.2
151.11115	1.3
151.14857	1.6
157.10132	3.1
157.21475	1.0
159.11681	11.2
159.12762	1.4
161.13248	7.9
163.14854	5.2
171.11700	2.8
173.13313	8.0
175.14836	3.8
177.12703	1.5
177.16356	2.3
179.31131	1.0
185.13214	2.5
187.14833	4.1
199.14868	2.5
201.16425	1.6
203.17935	1.3
215.17899	1.1
241.19556	3.0
243.21092	5.5
259.20602	7.0
261.22128	16.5
263.23654	2.5
317.24869	2.5
333.24249	4.0
335.25803	100.0
336.26141	3.5
337.27457	9.8
340.54224	1.3
445.17789	1.2
595.47180	12.3
613.48193	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	791.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05501	2.5
57.03442	2.4
57.07078	24.5
58.07404	1.7
59.05002	10.8
60.05333	0.8
61.02927	6.0
63.26469	0.4
64.12953	0.4
67.05508	6.5
69.03437	3.5
69.07076	2.0
71.01369	0.6
71.04987	0.9
71.08633	21.3
71.50093	0.7
72.08965	2.0
73.02921	4.3
73.06566	0.5
79.05490	4.5
81.03426	2.3
81.07058	5.7
82.28516	0.4
83.04964	0.5
83.08624	1.4
85.02905	6.5
85.06506	0.6
85.10183	18.9
86.09718	0.5
86.10486	2.3
87.04465	3.7
87.08098	0.8
89.06036	16.2
89.06580	0.9
90.06372	1.5
91.03957	3.0
91.05483	3.4
93.07044	4.4
95.08610	3.9
97.02896	4.8
97.10188	0.7
99.04455	1.1
99.11731	2.7
101.02386	1.9
101.09683	0.7
103.07600	0.6
105.07013	1.9
107.08615	1.9
109.02910	0.6
109.10138	2.6
115.03911	0.5
117.07021	1.0
117.09131	3.2
119.08604	1.2
121.06528	0.6
121.10139	2.1
123.11737	0.4
125.00012	0.6
127.03933	1.3
131.07068	0.8
131.08577	1.5
133.08612	10.4
133.10146	0.9
134.08916	0.6
135.11734	1.1
141.16383	2.3
145.10158	0.6
149.09776	0.4
149.13246	0.7
159.11745	0.8
177.11208	3.0
178.11542	0.6
184.07347	1.9
193.66748	0.4
199.20573	4.0
200.20990	0.9
203.05318	0.6
221.13876	0.7
243.08565	1.6
257.24783	4.0
258.25247	1.7
261.22495	0.5
295.15192	4.7
313.27484	0.5
335.25900	0.6
351.17981	0.5
459.28140	1.0
460.28574	0.7
467.37448	0.7
473.66046	0.4
513.23315	3.2
519.29248	6.2
650.75201	0.4
791.45526	100.0
792.46143	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	790.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.07079	100.0
59.04720	1.4
59.05003	21.9
61.02926	0.8
67.05502	1.5
69.03427	0.8
69.07070	3.0
71.08635	71.4
73.02910	1.3
73.06577	1.5
73.42775	0.6
79.05499	1.1
81.07043	2.3
83.08611	1.8
85.06534	1.0
85.10184	55.4
87.04470	13.1
87.33710	0.5
88.20370	0.7
89.06036	71.4
90.01898	0.9
91.05462	1.0
91.07587	0.6
93.07034	1.0
95.08611	1.5
97.10177	2.0
99.11737	11.3
101.09649	1.5
103.07603	0.8
107.07071	1.5
109.10130	0.6
111.11671	0.6
113.13277	3.9
117.09142	5.0
119.08579	0.9
130.08629	1.5
130.33630	0.7
131.07053	5.3
133.08612	52.5
151.09401	0.7
155.17960	7.7
161.11919	0.6
175.09657	4.1
177.11234	20.5
184.07303	2.7
213.22156	11.4
219.12299	1.3
221.13795	4.5
229.17296	0.7
253.23941	0.7
265.16476	1.8
271.26392	4.9
283.17477	1.1
305.16730	0.6
309.19147	0.8
327.19879	0.9
337.27267	0.7
374.08698	0.7
407.91760	0.7
459.28006	0.8
479.48581	0.7
503.30728	5.3
543.34387	0.9
768.19745	0.7
790.59479	3.0
791.45490	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	790.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05512	0.2
55.14403	0.1
56.05035	1.0
57.07066	0.1
58.06631	0.4
58.65556	0.1
59.05003	0.1
59.07392	0.2
60.08165	6.0
61.22302	0.1
65.88207	0.1
67.05504	0.8
69.07066	0.2
69.23202	0.1
69.23519	1.2
70.06602	0.2
71.07372	3.5
79.05496	0.8
79.85637	0.1
81.07052	0.8
83.08616	0.1
83.80717	0.1
85.10170	0.1
86.09705	31.1
87.10012	0.3
89.06085	0.1
91.05482	0.6
93.07049	0.3
95.08606	0.6
97.06517	0.3
98.20791	0.2
98.98465	3.6
104.10744	2.8
105.07011	0.6
107.04958	0.2
107.08572	0.4
109.10191	0.2
119.08578	0.3
121.10169	0.2
125.00004	21.2
133.10124	0.3
135.11731	0.1
143.01042	0.1
149.09552	0.2
174.08473	0.1
184.07338	100.0
185.07698	1.0
238.38100	0.1
275.20023	0.4
276.20392	0.2
335.25778	0.4
336.25961	0.3
496.33890	0.2
588.13226	0.1
609.45209	0.2
610.45575	1.0
632.32422	0.1
690.47040	1.1
754.53656	0.2
772.55658	0.8
790.55713	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	790.5881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
57.03430	2.6
57.07076	100.0
59.05001	43.5
59.92403	0.8
60.16064	0.9
61.02929	1.7
65.46365	0.9
67.05495	3.7
69.03413	2.1
69.07054	3.8
70.16801	1.8
70.17159	1.8
71.08632	98.3
72.08969	1.4
73.02917	2.1
73.06548	2.0
74.55212	0.8
79.05492	2.4
81.03415	0.9
81.07049	4.0
83.08607	3.7
85.02918	0.9
85.10183	97.6
86.09694	1.8
87.04467	13.2
89.06032	65.7
91.03945	1.1
93.07051	1.6
95.08600	2.8
97.02888	1.6
97.10134	0.9
98.21479	1.1
99.11736	11.3
101.06052	0.9
101.09663	3.7
103.07585	1.4
107.07044	1.2
107.08608	1.4
117.09139	18.0
121.10181	1.0
125.00013	1.5
130.08649	2.0
131.07042	3.1
133.08604	46.3
141.16382	10.1
147.10173	0.9
175.09682	2.4
177.11237	16.1
184.07312	6.0
191.12831	1.0
199.20575	22.7
200.20895	1.1
221.13852	3.9
257.24768	23.0
265.16498	1.2
302.24042	0.9
309.19122	1.1
327.20261	1.2
371.22855	1.7
445.31628	0.9
459.27908	6.3
519.28967	1.4
746.70660	1.0
790.39496	0.9
790.57892	3.4
791.45551	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	790.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05026	0.8
57.03429	0.1
57.07062	0.1
58.06614	0.5
59.04987	0.2
59.07393	0.1
60.08165	7.3
62.09221	0.1
67.05507	0.7
69.07044	0.2
70.06582	0.2
71.07375	4.3
71.08617	0.2
71.41268	0.2
79.05471	0.2
81.03408	0.3
81.07069	0.8
83.08597	0.1
84.08160	0.1
86.09706	35.4
87.04433	0.2
87.10036	0.2
89.06027	0.1
91.05472	0.3
93.07041	0.3
95.08597	0.4
98.98465	4.2
104.10744	3.1
105.07021	0.2
107.08591	0.2
109.10143	0.3
115.04070	0.1
119.08611	0.1
125.00005	23.8
131.08585	0.1
133.10168	0.1
137.05948	0.5
147.11578	0.2
153.50015	0.1
157.89325	0.1
166.02766	0.1
184.07339	100.0
185.07683	0.6
193.12386	0.1
214.67056	0.1
249.18658	0.1
259.49142	0.1
335.25790	0.2
337.27316	0.3
342.23050	0.1
441.43387	0.1
489.35660	0.2
496.34058	0.2
547.39880	0.4
679.36426	0.1
772.51263	0.7
773.52423	0.2
790.52313	7.8
791.52570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.2
55.05515	23.9
57.03439	8.8
61.02930	4.3
62.52818	2.2
65.03934	5.0
65.25341	1.9
67.05507	56.1
69.03441	4.0
69.07074	14.0
69.42003	16.9
71.04991	9.0
77.03895	2.4
79.05499	51.7
81.03426	43.5
81.07060	57.9
83.04980	8.2
83.08635	17.5
84.95011	2.3
85.02938	2.5
85.06552	2.6
86.09713	3.1
91.05488	47.7
93.06488	4.7
93.07047	52.4
95.04972	18.2
95.08623	32.4
95.54073	2.2
97.02898	3.4
97.06546	8.6
97.10176	10.6
97.24146	1.9
97.94691	2.1
99.08098	2.6
102.12446	1.9
103.05491	1.9
105.07032	51.1
107.04962	9.5
107.08619	25.9
109.06519	6.7
109.10171	15.2
111.08083	5.4
111.89650	2.0
115.87709	2.0
117.07038	17.2
119.08578	35.3
121.06526	3.9
121.10162	23.4
123.08081	7.4
123.11740	3.4
125.09655	11.3
128.04587	2.2
128.06230	2.8
129.06999	13.2
131.08575	23.6
133.06511	2.8
133.10149	27.8
135.08096	4.7
135.11708	10.1
137.09637	5.1
141.06969	4.6
141.49286	2.1
142.07809	4.4
143.08530	14.6
145.10118	20.1
145.87424	2.1
147.08051	3.5
147.11713	17.9
149.09636	5.8
149.13287	5.5
149.77657	2.4
151.11169	3.0
155.08557	7.3
157.10144	17.0
159.11671	15.4
161.09634	4.0
161.13280	11.1
161.23926	2.4
169.10141	8.2
171.11707	11.1
173.09676	3.6
173.13306	13.4
175.11212	9.2
175.14886	3.3
177.33757	2.1
179.08652	2.3
181.10249	3.6
183.11696	8.0
184.07370	9.1
185.13245	10.7
187.14824	5.1
189.11205	4.2
193.12323	7.3
195.11769	3.9
197.13272	4.0
199.14905	5.0
207.11746	3.1
209.13255	4.4
211.14862	4.2
213.16356	2.9
215.14330	2.6
217.15955	2.7
223.14874	2.4
227.12796	7.5
231.17393	2.4
241.19579	3.6
259.20544	12.9
267.15918	21.6
273.18811	2.5
285.22131	2.2
287.20200	2.5
299.23578	5.1
301.20090	2.9
309.22485	2.4
325.54538	2.2
333.24261	12.6
371.25626	2.9
417.26581	3.4
421.25876	8.2
433.31161	11.2
435.27698	4.0
451.31973	10.8
463.30527	3.0
469.33337	5.1
495.33752	4.1
507.34521	7.4
517.34985	9.4
525.35760	50.9
543.36853	100.0
557.38513	12.4
575.39130	9.3
648.03876	2.7
790.40222	3.6
791.37469	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	790.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
55.05513	23.4
57.03433	12.2
61.16914	1.9
65.03922	2.8
67.05133	2.5
67.05503	48.0
69.03427	12.8
69.07068	25.6
69.35580	6.7
69.36004	8.6
70.06590	5.5
71.04984	5.2
79.05492	50.5
81.02940	3.4
81.03418	70.8
81.07057	44.0
83.04995	12.7
83.08624	19.7
84.08111	2.1
85.02884	5.1
85.06537	3.9
86.09698	5.8
89.06017	2.1
91.03922	2.4
91.05486	45.0
92.05808	2.0
93.07045	38.4
95.04967	28.7
95.08600	21.4
97.02930	12.1
97.06522	9.2
97.10148	13.4
98.21590	2.6
105.07037	32.6
107.04955	12.0
107.08607	27.4
109.06523	10.5
109.10172	19.0
111.04452	4.4
111.08069	8.7
115.05425	2.9
117.07046	10.1
119.07786	2.9
119.08582	22.4
121.06502	10.3
121.10136	12.9
123.08066	7.1
123.11729	2.1
125.00026	5.3
125.09663	9.7
129.07048	11.8
131.08597	16.1
132.13219	2.2
133.06525	6.6
133.10135	29.6
135.08046	5.4
135.11659	8.2
137.09587	3.5
143.08582	4.6
145.06441	2.9
145.10115	9.0
147.08044	5.9
147.11673	11.1
149.09610	8.2
151.11197	8.1
155.08612	2.5
157.10158	10.0
159.11678	7.6
161.09660	5.2
163.11205	8.2
165.12666	4.1
171.11684	3.2
175.11169	8.7
177.12796	2.7
179.10651	2.3
184.07349	17.0
189.11295	2.4
193.12260	13.6
209.11684	5.2
211.13322	2.2
215.12900	2.8
219.13786	2.3
223.13228	11.0
225.11159	2.5
227.12900	9.6
245.19073	3.9
249.14909	5.4
253.14304	19.4
263.20044	2.4
266.85291	2.4
267.15912	73.9
268.16409	2.4
269.17578	5.5
273.18494	8.8
275.20041	2.6
283.15439	11.6
285.17007	2.6
287.20139	3.3
291.19556	61.1
301.16235	3.0
313.21649	3.9
338.86328	2.1
347.22101	4.5
349.23932	3.7
365.23245	44.4
366.23660	2.2
391.82916	2.3
403.25131	3.3
421.25928	2.5
445.25616	7.6
459.27631	5.0
463.26727	7.8
465.29785	2.6
477.28647	12.0
481.27606	2.8
483.30872	2.2
495.29248	5.8
514.31897	2.4
539.33484	9.4
557.34747	100.0
558.34760	6.4
575.35693	15.3
763.01019	2.1
790.38379	11.7
791.37274	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	789.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01630	1.5
55.01874	14.9
55.05512	18.1
57.03444	9.8
57.07077	3.1
59.04991	1.5
62.32243	1.3
65.03934	3.8
67.05508	58.7
69.03428	3.8
69.07069	30.9
71.04979	3.3
71.07370	1.3
79.05499	46.1
81.03425	7.6
81.07058	70.0
83.04983	7.7
83.08633	6.8
85.06551	2.4
86.09698	6.8
91.05486	50.2
93.07049	45.8
95.01321	4.9
95.04990	8.1
95.08610	44.2
97.06535	21.1
97.10168	2.6
103.05453	1.6
105.04554	1.8
105.07034	53.7
107.04955	12.2
107.08604	21.1
109.03664	1.4
109.06530	5.7
109.10168	13.3
111.08096	2.5
117.07047	10.7
119.08589	33.7
121.06517	1.9
121.10154	15.5
123.04478	2.0
123.08080	5.4
123.11695	3.7
124.99976	3.9
125.09651	1.9
129.07062	3.9
131.08577	17.3
133.10135	29.8
135.08041	3.9
135.11708	6.0
137.09613	3.3
139.07498	1.7
143.08582	3.6
145.10133	13.1
147.11690	10.7
149.09625	5.3
149.13278	5.8
151.11227	3.1
157.10123	3.7
159.11731	9.5
161.13286	4.6
163.11188	5.2
163.14864	1.7
165.09111	3.3
165.12965	1.4
171.11700	2.1
173.13229	3.9
175.14827	1.8
177.12759	2.8
179.14333	8.5
183.11772	1.9
184.07362	15.4
185.07660	2.0
187.11307	2.2
187.14880	2.1
219.17494	4.2
229.19412	1.5
233.15286	1.6
247.20572	2.4
257.18988	5.4
261.22061	3.5
275.20074	77.2
276.20624	1.4
279.16159	1.5
293.20963	7.3
296.92148	1.2
317.24677	1.6
335.25806	87.6
336.26181	2.8
349.23737	22.1
563.39282	1.5
609.45142	100.0
610.45563	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	789.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.4
55.05515	27.6
57.02624	3.4
57.03428	17.0
57.07064	13.3
59.04999	10.1
61.02914	4.4
67.05506	86.3
69.03418	8.1
69.07077	30.0
69.43603	9.0
69.44011	16.7
71.04999	4.5
71.08621	12.1
73.02907	7.2
79.05494	62.7
81.03404	12.7
81.06592	6.3
81.07059	100.0
83.04977	9.7
83.08607	12.4
85.02893	5.8
85.10181	8.4
86.09694	14.6
91.05479	61.0
93.07048	62.6
95.04967	11.4
95.08614	51.9
97.02888	7.5
97.06535	18.1
97.10155	7.3
98.98479	4.9
99.04465	4.7
105.07030	56.0
107.04963	16.0
107.08629	29.7
109.06528	8.3
109.10162	34.0
117.07026	18.3
119.08586	38.3
121.06546	5.0
121.10145	20.6
123.11664	8.5
124.99993	12.5
127.03915	3.8
129.07027	5.2
131.08586	29.9
133.10126	32.0
133.52686	4.4
135.08032	6.3
135.11690	13.5
143.08594	6.4
145.10106	23.9
147.11688	16.4
149.09605	9.0
149.13246	4.9
151.11209	7.5
155.08531	4.7
157.10083	5.0
159.11710	15.6
161.13335	4.9
169.10135	7.4
171.11748	7.3
173.13339	9.2
177.12769	6.8
184.07346	56.2
185.07735	4.5
187.14981	5.3
194.77901	4.1
213.18469	4.1
219.17493	9.2
222.13466	4.4
239.17862	3.9
245.37314	4.5
257.19043	10.0
261.21982	4.9
275.20044	82.8
293.20898	8.3
331.22708	4.0
335.22086	6.7
335.25830	92.9
335.29840	4.6
349.23776	39.5
491.59470	3.5
574.41998	4.2
609.36255	5.6
609.45233	81.5
627.45801	13.9
789.54797	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	788.544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05030	0.9
57.03437	0.2
57.06790	0.3
57.07077	5.6
58.06638	0.4
59.05003	2.8
59.07385	0.2
60.08165	6.7
67.05494	0.5
67.49619	0.1
68.05731	0.1
69.07067	0.3
70.06597	0.3
71.07373	4.1
71.08635	3.9
71.10458	0.3
79.05497	0.3
81.07056	0.4
83.08611	0.2
85.10187	3.2
86.09705	33.6
87.04475	0.3
87.10040	0.2
89.06026	1.4
91.05481	0.3
93.07038	0.2
95.08614	0.3
97.10165	0.2
98.98467	4.1
99.11726	0.8
101.09604	0.2
104.10751	3.3
105.07059	0.3
107.08627	0.2
109.10139	0.2
113.13272	0.2
116.07115	0.2
117.09131	0.8
117.85869	0.1
121.10117	0.2
125.00006	24.2
133.08623	0.8
136.06207	0.3
137.60367	0.1
143.01039	0.2
155.17924	0.6
164.19405	0.1
166.02655	0.1
177.11203	0.3
184.07339	100.0
185.06076	0.1
185.07677	0.7
213.22173	1.0
213.68602	0.1
237.47144	0.1
271.26318	1.3
327.19980	0.2
496.33655	0.2
658.45514	0.1
690.46997	0.8
752.51447	0.2
770.53400	0.7
788.54602	2.5
816.24701	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05038	0.8
57.07071	0.4
58.06625	0.6
59.04987	0.7
59.07375	0.2
60.08165	6.7
66.27230	0.2
67.05499	0.3
69.41500	1.4
70.06589	0.2
71.07372	4.0
71.08636	0.2
72.08958	0.2
76.13482	0.2
79.05484	0.2
80.65285	0.2
81.07046	0.4
83.08649	0.2
86.09705	33.4
87.10038	0.7
89.06055	0.4
91.05485	0.2
93.07035	0.2
98.98469	4.2
102.62329	0.2
104.10740	3.4
105.07027	0.2
108.58610	0.2
125.00004	21.6
138.90781	0.2
148.80605	0.2
184.07339	100.0
185.07695	2.3
186.07819	0.6
208.23393	0.2
233.55716	0.2
306.16861	0.2
364.91388	0.2
455.09216	0.2
460.10385	0.2
496.33749	0.3
770.54346	0.3
788.54236	6.3
789.53674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.3
55.05272	1.8
55.05510	24.6
57.03161	1.5
57.03437	18.0
57.07058	4.4
59.04995	2.6
61.02926	2.1
65.03928	2.0
67.05505	69.0
69.03419	3.8
69.07070	16.0
69.19353	8.8
69.19757	3.2
69.83276	1.1
70.85106	1.2
71.04986	5.5
78.24631	1.1
79.05015	1.6
79.05493	48.9
81.03419	86.8
81.07057	63.1
81.07482	1.3
82.03738	1.3
83.04987	6.5
83.08163	1.5
83.08624	22.9
85.02865	1.6
85.06548	2.0
86.09727	2.7
86.11581	1.2
91.05484	36.5
92.05796	1.3
93.07046	51.0
93.07641	2.4
93.52614	1.6
94.07355	1.5
95.04968	27.5
95.08605	43.8
97.02862	3.7
97.06524	4.2
97.10167	7.8
99.08051	1.7
105.07033	25.4
107.04969	6.6
107.08597	24.3
109.02830	1.4
109.06501	5.7
109.10159	20.5
111.04439	1.8
111.08074	7.4
115.05412	2.2
117.07027	8.1
119.08578	25.8
121.06503	4.0
121.09337	2.2
121.10150	25.0
123.04398	1.4
123.08089	4.3
123.11703	4.5
125.00015	1.3
125.09615	5.3
129.07024	11.7
131.08574	22.1
133.06470	3.5
133.10132	16.0
133.36493	1.2
135.08098	3.1
135.11697	15.9
137.09602	4.5
137.13202	2.9
141.06961	1.5
142.07767	2.9
143.08542	3.2
145.10123	11.8
147.08028	4.1
147.11691	17.2
149.09607	5.8
149.13231	5.9
157.10141	11.7
159.10452	1.2
159.11682	7.5
161.13292	6.3
163.11160	3.1
163.14789	3.1
165.12741	2.9
171.11650	2.6
173.13275	7.2
175.11180	10.3
175.14752	2.4
184.07359	10.7
185.13217	1.4
187.14844	2.6
189.11201	4.3
193.12228	23.0
199.14856	1.6
211.13249	1.9
227.12723	7.3
243.21080	5.4
247.16959	1.4
249.14847	2.9
261.22128	14.6
267.15924	100.0
268.16354	1.9
273.18344	1.7
279.23105	1.9
283.24048	1.5
301.25131	6.8
304.27881	1.5
304.31479	1.3
309.17145	2.2
317.24796	3.0
335.25809	80.0
336.25958	5.1
337.27280	1.4
421.25839	2.0
435.27109	3.0
435.32681	4.9
453.33765	7.1
471.34805	2.6
479.63257	1.4
517.39111	1.6
527.37360	49.7
528.37408	3.7
545.38348	41.7
546.38617	2.8
569.38495	2.9
577.40863	1.5
608.43561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
55.05514	18.8
57.03439	10.3
57.07067	1.8
65.03931	3.9
67.05508	46.1
69.03432	5.8
69.07065	11.1
69.36700	7.1
71.04993	5.9
77.03975	1.1
79.05495	35.1
81.03421	50.5
81.07061	44.3
83.04984	11.9
83.08624	16.0
85.02905	12.3
85.06537	2.6
86.09719	1.1
91.05484	29.2
93.07049	38.0
93.07637	1.8
95.04976	19.0
95.08610	27.0
97.02893	6.1
97.06535	2.9
97.10152	3.5
99.04517	1.0
99.08073	1.5
103.05495	1.0
105.04523	1.3
105.07037	19.9
107.04946	3.9
107.08592	19.4
109.02871	3.1
109.06508	3.3
109.10162	9.7
111.04427	5.1
111.08067	6.1
113.06032	1.5
115.05441	1.5
117.07012	3.9
119.08597	15.6
121.06495	1.5
121.10152	18.4
123.08052	2.0
123.11726	3.0
125.00018	1.0
125.09599	1.9
127.03901	2.1
129.05510	1.9
129.07027	6.1
131.08585	10.7
133.06519	1.5
133.10150	10.0
135.08078	1.2
135.11702	7.6
137.09561	1.1
137.13190	1.1
142.07784	1.6
145.10106	5.2
147.08046	1.4
147.11690	11.3
149.09608	4.4
149.13240	3.3
151.11177	1.1
153.12698	1.0
157.10150	8.9
159.11664	2.5
161.13263	1.6
163.11237	0.9
165.12776	2.2
173.13266	2.4
175.11205	7.7
175.14845	0.9
181.12201	1.0
184.07347	3.5
187.14821	1.1
191.10818	0.9
193.12247	26.9
199.46312	0.9
211.13298	26.2
227.12724	2.2
227.20032	1.9
229.14355	1.5
243.21037	1.4
261.22134	4.8
267.15948	15.1
283.15286	1.3
285.16980	11.2
317.24713	1.6
335.25818	55.2
336.26022	1.8
355.17465	1.8
399.32999	1.1
429.21234	14.4
453.33701	1.8
527.37354	9.8
545.38397	100.0
546.38611	5.6
689.42542	15.2
690.42853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.6
55.05510	28.9
57.03431	8.3
57.07071	2.2
59.05005	3.2
61.02921	2.8
65.03934	3.4
67.05505	72.6
68.05827	1.5
69.03432	11.9
69.07069	33.5
69.29399	12.0
71.04605	1.5
71.04996	25.9
71.08643	1.8
75.33206	1.3
79.05498	37.2
81.03407	8.3
81.07057	88.3
83.04971	5.6
83.08612	13.4
85.02893	2.5
85.06548	8.1
86.09713	5.0
87.04494	1.7
91.05488	37.5
93.07047	34.9
95.04967	12.6
95.08608	20.3
97.02901	12.1
97.06551	7.2
97.10172	15.0
103.05467	2.0
105.04553	1.9
105.07033	25.2
107.04976	6.1
107.08604	25.8
109.02881	1.7
109.06525	4.9
109.10157	20.1
111.08080	4.0
117.07038	10.8
119.08575	15.4
121.06491	3.4
121.10134	10.7
123.04449	1.8
123.08070	5.4
123.11680	11.0
125.00024	2.8
125.09609	11.1
127.07593	1.5
129.07013	3.2
131.08557	13.0
133.06482	2.7
133.10124	21.0
135.08064	3.9
135.11679	6.1
137.09665	3.8
139.11186	1.4
143.08572	4.1
143.61406	1.4
145.10124	6.1
146.15677	1.2
147.08047	6.4
147.11682	5.9
149.09631	4.6
149.13295	7.5
151.11160	8.6
155.08644	1.6
157.10124	3.3
159.08128	1.3
159.11685	7.2
161.09598	4.4
163.12398	1.5
165.09151	2.1
169.12259	2.6
171.11665	1.8
175.11166	2.1
177.12779	4.5
183.13849	3.2
184.07370	9.7
187.13347	3.7
189.11119	2.6
193.12263	1.5
195.13800	2.5
201.14856	1.7
205.12262	1.7
223.13272	22.8
225.14893	3.7
227.12831	4.0
243.15904	1.8
245.18938	1.4
249.14890	3.1
253.14394	3.9
257.17416	3.0
267.15881	3.2
269.17422	8.1
273.18512	12.5
291.19543	98.7
292.19806	2.8
301.20114	18.4
304.32175	1.4
335.25882	1.7
347.22141	3.1
365.23209	22.6
373.10452	1.4
406.18771	1.5
421.25671	1.9
435.27487	1.8
515.33539	3.1
533.34760	100.0
534.34802	4.7
541.34991	3.8
547.36218	19.9
559.36322	61.0
560.36615	2.8
591.38934	34.8
789.39294	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	788.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
55.05518	8.4
57.03438	4.8
59.04988	0.8
60.61431	0.6
65.03953	1.1
67.05508	17.5
69.03416	1.3
69.07070	12.9
69.40939	2.5
69.41371	2.6
71.04976	1.5
79.05493	16.0
79.54411	0.6
81.03418	32.1
81.07059	25.9
83.04992	4.0
83.08619	8.6
85.02891	0.9
85.06548	1.6
86.09710	1.9
91.05483	25.8
93.06480	1.3
93.07045	17.9
95.01310	3.1
95.04968	11.1
95.08598	13.6
97.02892	1.3
97.06528	6.8
97.10141	1.5
98.21494	1.1
99.08041	0.7
103.05453	0.6
105.04520	0.8
105.07030	33.9
106.07347	1.2
107.04955	8.7
107.08596	9.2
109.06530	3.4
109.10168	4.6
111.04555	0.9
111.08059	2.9
113.09648	0.8
115.05453	0.9
117.07013	5.7
119.04910	0.7
119.08582	17.7
120.08925	0.7
121.06523	1.4
121.10143	6.9
123.04423	1.9
123.08064	2.3
123.11716	1.8
125.09589	0.9
128.06190	0.7
129.07002	4.6
131.08566	12.7
133.06488	2.0
133.10129	17.4
135.08052	2.3
135.11690	3.1
137.09613	2.0
143.08540	1.7
145.06538	1.1
145.10117	6.8
147.08040	1.7
147.11679	10.0
149.09612	6.0
149.13260	1.6
151.11229	1.6
154.07890	0.6
155.08522	0.9
157.10101	5.0
159.11705	3.8
161.09705	0.7
161.13272	2.3
163.11189	2.6
163.12375	0.6
165.09142	0.9
169.10153	1.3
171.11699	1.7
173.13278	2.2
175.11197	3.4
177.12712	1.4
179.14316	3.8
183.11758	1.0
184.07330	3.0
187.11215	2.3
193.12267	5.1
209.13432	0.7
219.17500	1.2
229.19537	1.0
239.18001	1.0
246.88623	0.7
247.20573	0.9
249.14865	1.2
252.02544	0.7
257.19052	2.6
267.15912	36.3
268.16571	0.9
269.17612	1.1
275.20062	26.6
276.20428	0.9
293.21030	1.8
349.23712	16.8
447.27267	1.0
461.29025	1.8
463.12473	0.8
485.55499	0.7
533.34741	0.7
541.35266	100.0
542.35321	5.3
559.36023	2.8
564.05359	0.7
583.35956	1.1
626.45050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
55.63039	0.2
56.05036	0.9
57.03433	0.3
57.07077	0.7
58.06342	0.3
58.06621	0.6
59.04995	0.6
59.07406	0.5
60.08165	7.0
67.05496	0.8
69.07069	0.3
70.06580	0.3
70.80362	0.7
71.07372	3.9
71.08620	0.4
75.38258	0.2
79.05489	0.5
81.07051	0.8
83.08607	0.3
85.10187	0.5
86.09705	33.0
87.10020	0.3
89.06023	0.5
91.05504	0.5
93.07032	0.5
95.08615	0.5
96.29207	0.2
98.98466	4.1
98.99063	0.4
104.10736	3.1
105.07111	0.3
107.08581	0.4
109.10163	0.5
124.19469	0.2
125.00002	20.8
184.07338	100.0
185.07721	0.9
189.19156	0.2
227.26869	0.2
291.19312	0.2
299.42499	0.2
313.27341	0.4
317.17761	0.2
413.16943	0.2
449.67361	0.2
467.37433	0.4
525.40417	0.4
560.96722	0.2
764.29523	0.3
768.50763	0.3
786.38599	0.4
786.52661	6.5
787.52789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.1
55.05516	46.4
57.03442	18.4
57.07077	4.3
59.04994	7.5
61.02922	7.1
65.03934	5.7
67.05505	91.7
69.03429	32.1
69.07073	34.1
70.55583	8.8
71.01344	2.7
71.04998	8.0
71.08650	6.6
73.02914	6.8
75.39229	2.6
77.15067	2.4
79.05028	3.2
79.05494	92.2
81.03422	43.4
81.07057	100.0
81.07536	5.3
83.04974	17.8
83.08618	22.1
83.32119	2.3
85.02892	16.3
85.06498	4.3
85.41284	2.4
86.09712	9.4
89.06065	3.6
91.05486	66.1
93.07041	81.5
95.04968	23.1
95.08068	4.3
95.08614	49.7
96.08971	2.7
97.02875	22.1
97.06512	9.3
97.10163	30.0
99.04458	6.4
99.08080	4.8
101.02345	5.0
105.04539	4.4
105.07034	43.3
107.04947	18.5
107.08593	45.0
109.02885	12.0
109.06527	11.3
109.10148	23.8
111.04456	7.3
111.08109	7.0
115.05476	4.8
117.07035	26.4
119.04960	3.0
119.08585	41.6
120.70292	3.0
121.06493	6.9
121.10146	34.3
123.08066	16.5
123.11668	7.0
124.99969	5.2
125.09612	29.3
126.98905	3.0
127.03898	16.7
127.93983	2.5
128.06213	3.0
129.05534	3.9
129.07014	13.7
130.07883	3.5
131.08569	30.6
133.06487	8.2
133.10132	16.4
135.08075	11.2
135.11710	13.3
137.05963	4.6
137.09657	6.6
139.11131	3.7
141.06978	3.9
143.08591	10.5
145.06506	8.4
145.10097	20.7
147.08047	13.3
147.11687	14.6
149.05980	2.8
149.09651	7.6
149.13300	7.0
151.07527	6.1
153.09154	3.6
155.08577	4.4
157.10092	14.4
159.08046	6.3
159.11717	11.6
161.09615	11.4
161.13252	6.3
163.11174	9.5
165.09091	4.9
167.08531	3.2
169.10194	4.9
169.86519	2.8
171.08145	4.0
171.11722	7.6
173.04469	8.0
173.09615	5.4
173.13277	7.0
175.11198	7.3
175.14795	2.9
177.09235	3.1
177.12704	3.9
183.11763	3.6
184.07343	37.8
185.09651	3.2
185.13295	6.3
187.11246	4.9
187.14786	3.1
189.09502	2.6
189.11234	15.5
191.10739	3.9
193.12248	4.8
205.12315	7.3
211.13173	4.4
223.13342	11.5
225.16420	3.5
227.12732	17.1
237.16399	3.2
245.19203	3.2
261.22235	6.5
263.20169	3.2
271.16907	4.8
272.17532	3.7
273.18475	41.2
275.20224	3.6
291.19553	49.9
335.22061	5.0
335.25818	64.8
336.26096	3.9
347.22131	14.8
351.23618	3.0
365.23264	11.2
381.31656	3.4
399.21552	3.3
406.87872	2.7
417.22672	4.8
420.44592	2.9
435.23358	4.5
505.35251	3.1
522.58704	3.0
607.43402	14.3
625.44696	39.0
689.43237	5.9
769.49365	12.5
787.50146	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	786.528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
56.05040	0.9
57.07076	1.1
58.06597	0.4
59.04997	0.5
60.08165	6.4
67.05506	1.4
69.07070	0.3
69.60318	0.6
69.60745	0.6
70.06613	0.2
71.04998	0.2
71.07371	4.0
71.08632	0.6
81.07054	0.6
83.08598	0.2
85.10193	0.4
86.09708	33.3
87.04459	0.2
89.06046	0.3
91.05493	0.4
93.07050	0.4
95.04985	0.2
95.08601	0.7
98.98464	3.5
104.10744	2.7
105.07089	0.2
107.08591	0.3
109.06583	0.2
109.10171	1.0
125.00005	22.5
131.08597	0.2
135.11763	0.2
156.08989	0.2
181.24084	0.2
184.07343	100.0
185.07712	0.9
238.44598	0.2
279.02203	0.2
313.27386	0.2
363.21780	0.2
467.37381	0.8
496.34314	0.2
525.41431	0.4
674.65839	0.2
786.52606	7.9
787.53137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05269	1.3
55.05510	17.1
55.28107	0.7
57.03199	1.1
57.03441	15.9
57.07062	2.1
59.04988	2.7
61.02910	3.4
63.41040	1.0
65.03928	4.1
67.05504	100.0
68.05803	0.9
68.92469	0.8
69.03412	3.5
69.06732	1.1
69.07072	13.0
70.06596	1.3
70.22536	0.9
71.04986	4.5
79.05493	41.4
81.03416	10.4
81.07055	53.3
83.04966	3.8
83.08617	7.6
85.02908	6.3
85.06561	4.8
86.09676	1.3
91.05481	31.0
93.07040	42.5
95.04968	9.4
95.08605	35.5
97.02875	3.3
97.06544	4.5
97.10155	3.9
99.04472	1.4
99.08083	1.1
105.04554	1.7
105.07030	14.5
107.04949	6.3
107.08596	22.7
109.06536	6.5
109.10155	53.8
110.10454	1.4
111.04431	1.1
111.08102	5.1
115.05453	1.1
116.07110	1.0
117.07016	8.5
119.08574	15.6
121.06500	8.1
121.10139	15.6
123.08044	3.3
123.11723	4.2
125.09629	3.6
128.06238	1.3
129.07024	1.7
131.08559	12.5
133.10129	8.8
135.08031	2.0
135.11687	9.4
137.09622	4.2
137.13261	1.0
141.06976	2.6
143.08542	3.7
144.09296	1.0
145.10133	11.1
147.11642	3.6
149.09628	1.4
149.13229	7.3
155.10631	7.6
157.10168	1.7
159.11684	8.8
161.09613	2.0
161.13274	3.3
163.14775	2.4
169.10120	3.1
170.36832	0.8
171.10220	1.1
173.11729	13.4
173.13275	4.6
175.14830	1.2
177.12756	2.0
184.07335	2.0
185.13200	1.3
187.11179	3.2
187.14836	2.5
197.13300	1.3
199.14761	0.9
205.12233	1.8
209.13245	1.0
223.13264	11.6
227.12755	3.9
229.14345	62.9
230.14731	1.4
237.14828	1.9
243.21033	4.9
259.20581	1.4
261.22177	17.3
279.15979	2.7
297.16980	19.1
317.24698	3.0
333.41504	1.0
335.25800	79.5
336.26096	3.5
349.24158	1.5
447.32190	1.2
489.35709	36.6
490.35922	1.5
507.36548	1.6
539.37103	3.1
557.38184	13.3
575.39087	2.5
624.43762	1.1
709.76788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.8
55.05265	1.9
55.05512	18.2
57.03167	1.2
57.03437	16.6
57.07064	2.1
59.05001	3.3
61.02921	2.4
62.72713	0.9
65.03914	2.4
65.68744	0.9
67.05505	100.0
69.02270	1.0
69.03420	3.1
69.07072	11.7
71.05003	5.2
73.02891	1.5
79.05492	37.9
81.03062	1.0
81.03430	11.2
81.07055	53.7
81.70161	1.0
83.04961	3.8
83.08613	10.7
85.02907	6.3
85.06539	2.1
90.32835	1.0
91.03966	1.6
91.05482	29.8
93.07048	38.8
95.04971	10.5
95.08607	33.0
97.02877	5.0
97.06515	5.8
97.10162	3.9
99.04465	1.1
105.04560	1.9
105.07037	18.4
107.04961	7.5
107.08593	18.5
109.02884	1.2
109.06528	7.4
109.10156	58.2
111.04504	1.0
111.08067	3.8
117.07011	10.1
119.07812	1.4
119.08588	15.7
121.06513	5.5
121.10147	14.3
123.08075	2.1
123.11739	5.5
125.09609	2.3
129.07002	2.5
131.08548	12.5
133.10139	8.6
135.08046	2.8
135.11670	11.0
137.09586	3.5
139.11139	1.2
141.06967	2.1
143.08578	2.6
145.06409	1.5
145.10121	9.3
147.08096	1.2
147.11722	5.0
149.09593	1.4
149.13286	5.3
155.10666	4.1
157.10149	2.1
159.11697	10.2
161.09613	2.4
161.13254	3.8
163.11191	1.0
163.14828	1.9
169.10124	2.9
171.11685	2.2
173.11739	12.0
173.13266	3.7
175.14833	2.2
177.12711	2.1
179.10612	2.4
181.10071	1.3
184.07240	2.2
187.11186	3.9
187.14844	2.2
189.11148	2.1
193.22830	1.1
201.16338	1.4
205.12268	3.9
223.13264	10.4
227.12767	4.9
229.14343	60.0
229.26765	1.2
237.14656	1.2
243.21075	3.5
259.20621	1.4
261.22174	16.1
265.28531	1.2
275.20062	1.7
279.15994	2.5
295.34546	1.3
297.16959	19.9
315.22955	1.6
317.24796	3.2
335.25806	67.6
336.26114	2.5
465.33545	1.5
489.35788	27.5
507.36884	1.4
539.37122	3.5
557.38440	14.5
575.39484	2.9
607.43671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.4
55.05513	29.1
57.03431	6.4
59.04992	3.6
59.09783	1.4
61.02927	1.5
65.03946	2.9
67.05508	28.8
69.03428	12.3
69.06731	2.0
69.07069	25.4
70.06574	1.6
70.66961	3.4
70.78620	1.2
71.04974	4.2
73.02926	1.4
79.05076	2.0
79.05502	27.4
81.03414	9.0
81.07058	33.5
83.04979	6.6
83.08616	15.3
85.02905	3.4
85.06547	2.8
86.09684	2.6
91.05486	30.8
93.07053	26.0
95.04968	10.7
95.08610	12.9
97.02886	13.2
97.06532	5.1
97.10173	11.3
99.00813	13.8
99.04447	2.2
103.05424	1.7
105.07034	23.4
107.04953	10.7
107.08592	17.6
109.02886	9.3
109.06521	4.1
109.10150	9.3
111.04441	2.6
111.08067	5.3
112.88699	1.3
115.03941	1.9
116.06232	1.3
117.07019	7.6
119.04954	1.8
119.08578	17.2
121.06498	8.8
121.10118	4.7
123.04401	4.4
123.08046	3.0
123.11713	4.2
125.09632	8.6
127.03951	2.7
128.06230	2.0
129.07024	3.4
131.08557	10.1
133.06497	4.5
133.10141	34.0
133.99823	1.2
135.08049	4.8
135.11674	3.8
137.06053	1.3
137.09621	2.9
139.07539	2.8
143.08574	8.1
145.06418	1.3
145.10139	6.8
147.08044	6.0
147.11694	3.1
149.09616	2.6
149.13280	1.7
151.07526	1.4
151.11191	9.2
157.10129	2.1
159.11679	2.3
161.09619	18.6
162.10220	1.3
163.11188	2.6
165.09093	2.0
171.08003	3.1
171.10184	1.4
171.11649	2.5
175.11214	1.7
179.10715	7.6
184.07384	4.0
189.09082	7.4
189.11186	3.7
189.12767	1.3
193.12270	1.8
197.11742	3.0
205.12230	2.5
207.10165	2.7
223.13310	18.3
225.11201	11.7
227.12752	8.8
243.12340	2.8
245.19211	1.5
249.14871	4.2
253.14223	1.7
273.18539	13.8
281.13907	9.5
283.15262	1.8
291.19556	100.0
292.19955	2.8
299.14899	75.4
300.15213	2.7
305.83136	1.3
338.33621	1.4
345.09949	1.4
347.22095	3.4
365.23218	47.8
366.23279	1.8
469.24088	2.1
509.27469	2.9
521.27814	1.4
571.32446	3.8
589.33685	89.2
590.34192	4.6
594.37543	1.5
779.83337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.1
55.05518	49.5
57.03428	10.9
57.07072	6.1
59.04975	3.4
60.61867	3.0
61.87694	2.6
64.57298	2.5
65.03934	6.5
67.05507	76.6
69.03429	19.7
69.06719	3.4
69.07069	21.5
69.19332	11.1
69.19755	17.1
71.04980	7.5
73.02909	3.7
79.05495	72.0
81.03426	47.1
81.07059	73.9
82.07381	4.1
83.04982	17.7
83.08622	21.0
85.02886	4.6
91.05483	71.1
93.07052	53.8
95.04945	7.1
95.08611	45.3
97.02906	14.8
97.06548	3.1
97.10176	36.4
98.20701	4.8
99.04458	4.4
105.07026	27.0
107.04959	5.4
107.08591	44.2
108.08947	3.2
109.02854	5.6
109.06497	9.9
109.10165	22.5
111.04449	13.8
111.08057	6.3
115.05450	15.7
117.07018	48.9
119.08586	81.6
121.06489	10.1
121.10143	21.7
123.08100	3.2
125.09641	34.4
127.03884	5.5
128.06268	4.9
129.05437	5.1
129.07007	13.0
131.08557	21.4
133.10117	12.9
135.08046	19.9
135.11656	9.9
137.05984	50.6
137.09671	3.2
138.06314	9.5
139.72968	2.8
141.06956	4.1
141.40524	2.5
143.08583	14.5
145.06488	51.9
145.10114	12.4
147.07999	9.2
147.11678	10.4
147.76677	2.9
149.09633	4.4
149.13278	7.9
153.09056	4.4
155.08548	9.0
157.10124	8.7
159.08058	21.6
159.11690	6.4
161.09607	11.1
161.13269	5.4
163.07538	11.2
163.14851	2.9
169.10138	4.1
171.10202	3.6
173.04446	18.7
173.09634	6.1
173.13290	5.4
175.11177	5.4
183.11600	5.1
184.07312	8.4
185.09637	3.9
189.11235	27.6
193.12206	4.0
199.14725	2.9
225.16429	3.6
227.12770	23.4
228.13033	3.2
243.17349	8.5
253.15877	9.1
261.22202	6.6
271.16931	100.0
273.18411	4.0
277.17923	19.6
278.18341	16.5
289.17993	25.2
295.18985	3.6
304.97882	2.7
308.59662	2.8
335.25809	59.8
336.26065	5.2
344.19595	3.0
345.20581	22.9
363.21512	14.9
505.35138	9.1
524.40106	3.4
605.42126	27.9
611.42413	4.6
612.43390	39.4
623.42920	33.9
643.45117	3.2
644.46381	34.5
772.08575	3.4
785.47198	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	783.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05510	2.1
57.03430	2.6
57.07077	1.4
59.05009	3.6
61.02920	6.0
67.05510	6.6
69.03425	2.7
69.07079	1.1
69.53545	1.4
69.53953	3.5
71.92441	0.7
73.02929	3.8
79.05492	4.7
81.03426	1.6
81.07061	5.6
83.08634	0.8
85.02901	5.5
86.09724	1.7
89.06043	2.3
91.03948	3.5
91.05487	2.7
93.07044	5.4
95.08614	4.5
97.02903	5.8
97.06578	0.8
99.04450	1.5
101.02392	2.5
104.10752	3.0
105.07047	2.3
107.08591	3.1
109.10181	2.1
117.09137	1.0
119.08582	1.6
121.10164	2.1
125.00035	1.8
127.03934	1.4
131.08607	1.5
133.10152	1.1
134.64597	0.7
135.11699	1.1
145.10020	0.7
145.12259	0.9
147.11705	0.8
156.13353	0.8
177.41249	0.9
184.07379	9.1
195.00348	1.4
243.08495	1.5
363.44296	0.7
389.37897	0.7
451.46170	0.7
505.27838	5.1
519.29395	7.2
619.57251	0.8
639.99988	0.8
663.85175	0.8
720.85309	1.0
769.04199	0.7
783.50153	100.0
784.50537	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	783.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	4.7
69.59283	4.3
69.59702	6.6
89.05254	1.7
91.05486	2.2
99.04490	1.5
107.04958	2.9
109.02902	2.4
111.04442	1.9
115.05463	2.7
117.05719	1.6
117.07065	1.9
118.06545	26.5
119.04913	2.2
123.04433	42.0
127.03924	100.0
128.20917	1.6
130.06573	1.8
132.08089	8.3
135.04419	29.2
139.03917	49.6
142.06494	2.3
143.07361	3.4
144.08084	15.6
146.06024	77.8
147.04401	6.1
147.06384	4.1
149.02312	2.8
149.06009	1.9
151.03935	8.0
159.09203	5.4
161.05983	4.1
163.03931	30.2
163.99507	1.9
165.05501	6.9
167.03398	5.8
170.06033	5.0
173.06064	2.5
175.03882	2.7
177.05589	2.2
179.03372	3.1
187.03996	2.3
188.07086	91.4
189.05476	4.4
189.07390	4.5
191.03429	12.6
193.04988	3.5
194.94365	1.8
197.97519	1.5
201.05492	5.1
203.03426	6.8
203.07063	3.8
205.09756	26.6
215.07111	2.3
229.05016	6.9
233.04483	6.2
243.06624	4.1
245.04527	4.7
247.06039	16.0
257.04318	10.5
259.06161	9.2
269.04233	2.1
271.06049	19.3
273.07599	1.8
275.05548	14.5
283.06033	6.4
287.05496	19.7
289.07104	26.0
291.08655	29.6
299.05588	3.5
301.07043	12.0
303.08609	2.9
409.09219	27.1
411.10825	3.3
421.09555	2.0
427.10321	20.9
439.10236	2.2
579.14740	6.5
655.93372	2.0
657.54248	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	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05519	1.0
56.84575	0.3
57.03432	1.9
57.07067	0.4
61.02927	5.6
65.03948	0.5
67.05502	4.9
69.03429	3.1
69.07064	0.8
71.01380	0.5
71.04997	1.0
71.08622	0.4
71.15099	0.9
73.02911	3.5
79.05487	4.4
81.03418	3.2
81.07060	4.1
83.04996	0.5
83.08621	0.9
85.02905	5.9
85.06543	0.4
85.10175	0.4
86.09690	0.6
87.04479	0.8
87.91584	0.3
89.06038	0.5
91.03964	2.8
91.05492	2.7
93.07050	3.8
95.04956	0.7
95.08615	3.2
97.02892	4.5
97.06551	0.5
99.04431	0.8
101.02382	2.1
103.03951	0.6
105.07025	1.8
106.79297	0.4
107.08605	1.7
109.02892	0.7
109.06511	0.4
109.10172	0.6
117.07014	0.7
118.80936	0.4
119.08625	1.3
121.10162	2.0
127.03940	1.2
128.10269	0.4
129.06993	0.6
131.08549	0.9
133.10158	1.1
135.11777	0.5
136.13062	0.4
145.10150	0.5
147.11717	1.1
149.09659	1.2
165.95239	0.4
174.34563	0.4
175.11229	0.4
179.07465	0.3
184.07347	2.7
185.04219	0.5
193.12303	0.8
203.05310	0.6
208.46548	0.4
209.08054	0.4
225.14899	0.5
233.11772	0.4
243.08548	2.1
283.15164	4.6
335.25766	0.5
339.17896	0.6
339.45557	0.5
443.81952	0.4
501.23053	6.5
503.05322	0.5
519.29352	7.4
779.45490	100.0
780.45880	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05505	1.6
57.03432	1.8
58.72920	0.5
60.08168	1.0
61.02929	6.7
67.05507	4.5
69.03442	3.5
69.07071	1.2
70.68587	0.4
71.01350	0.8
71.05003	0.9
71.07398	0.6
73.02917	4.5
79.05495	4.6
81.03413	2.0
81.07058	6.0
83.01102	0.4
83.08617	0.8
85.02909	4.4
86.09715	5.5
91.03967	3.4
91.05486	2.7
93.07049	4.6
95.04987	0.6
95.08611	3.5
97.02894	4.9
97.06545	0.5
98.21518	1.2
98.98498	1.2
99.04472	1.0
101.02368	2.1
104.10711	0.6
105.07037	1.6
106.74205	0.4
107.08614	2.2
107.91518	0.5
109.02863	0.7
109.06512	0.5
109.10169	1.7
119.08609	1.7
121.10138	2.5
125.00001	3.8
125.47443	0.5
127.03925	1.3
131.08586	0.6
133.10164	0.6
135.11678	1.0
139.11229	0.9
145.04935	0.5
147.11743	0.6
149.09651	0.9
157.10109	0.4
184.07344	19.4
185.04242	0.8
185.07736	1.7
193.12231	0.5
203.05350	0.9
229.14265	0.5
243.08395	3.1
247.13002	0.4
251.12589	3.5
283.15161	5.7
283.17700	0.5
299.18268	0.6
301.09140	0.6
313.08929	0.7
327.10651	0.6
335.25909	1.3
469.20584	4.1
501.23090	1.8
519.29254	8.1
519.36243	0.8
520.29535	0.7
591.31677	0.8
648.44550	0.4
649.07404	0.4
703.41473	0.5
747.42828	4.3
779.45477	100.0
780.45752	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	778.5378
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
54.08590	0.1
56.05046	0.8
58.06388	0.1
58.06628	0.4
60.08165	6.0
61.56494	0.1
70.06599	0.4
70.74735	0.4
71.07376	3.6
86.09708	28.2
86.60413	0.2
87.10054	0.3
93.07029	0.3
98.98467	3.6
104.10750	2.0
108.57959	0.1
116.07063	0.2
119.10738	0.1
125.00009	21.6
161.13326	0.1
172.41931	0.1
184.07346	100.0
185.07704	0.9
259.68701	0.1
518.32025	0.3
737.13385	0.2
778.53760	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	777.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05523	2.5
57.03440	1.5
61.02932	3.3
67.05509	4.4
67.96006	0.4
69.03441	2.7
69.07080	2.8
69.46191	0.9
69.46577	2.9
71.04970	0.7
73.02923	2.9
77.28876	0.4
79.05504	3.6
81.03419	5.1
81.07056	3.8
82.07414	0.7
83.05000	1.2
83.08633	1.9
85.02901	5.0
86.09705	1.2
91.03976	1.8
91.05488	3.6
93.07059	3.2
95.04971	1.7
95.08620	2.0
97.02903	3.8
97.06507	1.0
97.10190	1.3
98.21553	0.8
99.04446	0.8
101.02380	1.5
105.07047	3.3
107.04966	1.0
107.08608	2.1
109.06520	0.5
109.10181	2.1
109.26672	0.4
111.04439	0.7
111.08117	0.9
117.07032	0.6
119.08576	2.5
121.06557	0.8
121.10182	0.7
125.00036	0.7
125.09673	0.7
127.03950	1.0
129.07101	0.4
131.08606	1.1
133.10095	2.1
135.11711	0.7
139.03914	0.5
143.08702	0.6
145.04922	0.4
145.10161	0.9
147.11732	0.6
149.09647	0.6
157.10158	1.1
161.09676	0.5
171.11723	0.5
175.11212	0.8
184.07373	3.0
185.04260	0.7
193.12315	1.3
211.13339	1.3
223.13322	1.3
243.08415	2.1
251.12645	1.6
271.08511	0.5
291.16315	0.5
291.19620	1.0
307.15396	0.9
331.18979	1.2
379.17038	0.4
387.21973	0.6
451.19382	0.6
469.20435	7.1
531.25946	0.7
549.26685	5.9
549.34308	0.6
644.07080	0.5
759.39526	2.2
777.40265	100.0
778.40472	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	776.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.9
57.03443	5.1
57.07079	53.1
59.03197	0.9
59.04713	2.2
59.05000	38.4
67.05514	10.5
68.05836	1.5
69.07081	5.9
71.08634	100.0
71.50014	1.2
73.02901	1.4
73.06573	1.7
79.05492	4.5
80.05830	2.5
81.03423	10.8
81.07059	8.5
82.03737	1.8
82.07392	1.8
83.08617	3.7
85.10184	58.6
86.09697	3.0
87.04469	11.5
89.06033	55.4
91.05471	5.0
92.38041	1.1
93.07052	6.5
94.07371	2.3
95.04989	3.3
95.08589	6.4
96.05253	1.0
96.08937	1.2
97.06517	1.4
97.10178	3.2
99.11724	1.1
101.05968	1.1
101.09666	1.7
103.07577	2.5
105.07035	4.4
107.08601	4.0
109.10152	2.7
117.07017	2.2
117.09140	11.2
119.08577	3.4
121.06585	1.6
121.10181	3.7
123.08010	1.1
125.30701	1.0
126.40990	0.9
127.14822	8.2
131.07056	3.6
131.08589	2.8
132.08919	1.3
133.08604	41.2
133.10143	3.0
135.11746	2.2
143.08513	1.5
145.10124	2.1
145.16383	1.1
147.11717	1.4
149.09546	1.2
157.10086	1.0
158.10588	1.0
161.13216	1.3
171.46751	1.0
175.09656	1.5
175.81796	1.0
177.11223	16.9
184.07352	8.9
185.19019	18.2
221.13829	2.9
243.23198	20.3
244.23517	1.3
265.16626	1.4
267.15909	5.0
268.16321	3.4
269.16629	1.7
270.34113	1.0
335.25772	4.1
336.26129	4.6
337.26489	3.8
459.27808	6.2
474.29642	1.2
516.03510	1.1
528.37689	2.3
529.38086	3.2
546.38977	1.9
547.38861	3.4
767.14337	1.0
776.42865	1.7
776.56494	2.8
777.43011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.0
55.05513	16.5
57.03434	5.9
57.07084	10.3
59.04986	5.0
65.03932	4.9
67.05507	45.4
69.03412	7.9
69.07069	20.6
71.05007	2.2
71.08628	3.2
75.38883	1.8
79.05492	37.3
80.05802	2.1
81.03413	5.1
81.07058	46.8
82.67797	2.2
83.04963	8.9
83.08617	11.1
85.02885	3.5
85.06531	5.9
91.05479	46.0
93.07047	62.8
95.01315	2.9
95.04962	14.8
95.08612	42.0
97.02876	4.5
97.06507	6.5
98.21523	5.2
103.05453	4.4
105.07037	68.4
106.63743	2.1
107.04911	4.1
107.08592	46.7
109.06512	11.1
109.10161	30.0
111.04430	7.3
111.08066	4.5
115.05423	3.3
117.07020	18.8
119.08582	100.0
120.09383	4.8
121.06490	6.0
121.09343	2.7
121.10152	39.2
122.07294	2.6
123.08086	15.1
123.11696	8.1
125.05973	6.4
125.09628	4.5
128.06215	7.7
129.06984	13.6
130.07756	7.1
131.08572	36.6
132.09277	2.2
133.06509	3.9
133.10132	55.1
134.10876	2.1
135.08060	12.9
135.11707	28.9
137.06004	2.8
137.09581	8.6
139.11099	2.4
141.06979	5.6
142.07823	10.7
143.08560	30.0
144.09306	7.5
145.06427	3.6
145.10126	70.7
147.08047	12.8
147.11691	23.0
149.05920	3.2
149.09599	8.4
149.13260	6.6
151.07555	21.7
151.11143	1.9
153.06964	3.4
154.07742	3.3
155.08597	12.8
156.09291	9.5
157.10143	36.8
158.10974	9.5
159.08028	6.1
159.11691	36.0
160.12575	2.1
161.09604	8.6
161.13283	11.3
163.07408	2.2
163.11179	18.4
163.14926	3.5
165.06996	3.9
165.09123	16.0
167.08530	5.9
168.09288	5.1
169.10120	20.3
170.10883	4.9
171.11714	23.6
172.12424	4.5
173.09602	6.1
173.13252	24.7
174.10440	2.5
175.07477	2.4
175.11169	6.1
175.14807	26.8
177.09096	3.4
177.12703	4.4
179.08548	5.6
180.09346	5.0
181.10155	12.8
181.12231	18.1
182.10878	9.0
183.08055	2.3
183.11705	23.3
184.07338	4.6
184.12460	5.1
185.09529	3.0
185.13258	17.7
187.11143	4.4
187.14798	10.4
189.09143	2.8
189.12746	8.7
190.13495	3.2
191.10628	4.8
191.14232	4.7
193.10103	7.3
193.12305	3.5
193.15959	2.6
194.10893	3.5
195.11711	17.4
196.12460	4.6
196.99606	2.3
197.09648	2.3
197.13191	21.1
199.11205	4.5
199.14825	8.6
201.12744	4.3
201.16370	17.8
203.14297	11.6
206.10858	4.2
207.11682	9.0
207.13799	13.2
208.12460	5.1
209.11658	6.0
209.13434	13.2
209.15202	4.1
210.13904	2.9
211.11131	2.9
211.14737	9.5
213.12735	3.2
213.16400	2.6
215.10776	3.2
217.15852	4.2
219.17462	11.6
220.12428	3.5
221.13275	6.4
221.15335	35.7
222.14015	3.9
223.14833	11.7
225.16443	5.0
234.16167	4.7
235.14813	7.6
236.15646	3.1
237.12782	2.8
237.16391	3.5
239.14375	2.4
241.19472	3.7
245.19044	2.8
247.14775	3.1
247.17006	5.0
249.16382	3.4
251.14383	2.6
251.17729	3.0
253.15865	3.3
253.19342	3.6
255.13622	2.4
259.20575	4.6
261.16327	4.9
261.22034	3.3
263.18051	4.1
265.19470	3.0
269.19147	2.3
271.20581	5.4
277.19504	2.6
279.21243	3.3
281.19119	3.3
283.15387	5.6
283.20410	4.3
285.18625	3.0
285.22025	4.4
286.19296	3.8
287.20023	3.8
295.20660	3.0
297.22003	3.1
299.20184	3.7
301.16360	9.4
311.20084	2.8
312.20859	3.1
325.21619	3.6
335.25964	12.4
337.21658	2.5
345.13333	3.5
349.25229	3.3
351.26907	3.1
352.24017	17.4
365.24728	4.1
391.17319	6.0
409.18689	2.6
425.30228	3.2
436.11908	2.1
438.31122	5.7
451.31982	2.6
469.33249	2.4
487.23303	8.0
492.35251	2.4
504.36041	31.7
505.36621	6.9
525.36029	3.6
532.73920	2.3
533.28558	3.1
541.27710	3.4
543.36816	10.3
561.37933	8.4
566.40674	5.9
583.41077	8.5
584.42188	19.2
585.42438	3.9
741.43774	10.5
759.44647	35.4
776.41168	5.4
777.42639	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	776.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.0
55.05513	16.5
57.03434	5.9
57.07084	10.3
59.04986	5.0
65.03932	4.9
67.05507	45.4
69.03412	7.9
69.07069	20.6
71.05007	2.2
71.08628	3.2
75.38883	1.8
79.05492	37.3
80.05802	2.1
81.03413	5.1
81.07058	46.8
82.67797	2.2
83.04963	8.9
83.08617	11.1
85.02885	3.5
85.06531	5.9
91.05479	46.0
93.07047	62.8
95.01315	2.9
95.04962	14.8
95.08612	42.0
97.02876	4.5
97.06507	6.5
98.21523	5.2
103.05453	4.4
105.07037	68.4
106.63743	2.1
107.04911	4.1
107.08592	46.7
109.06512	11.1
109.10161	30.0
111.04430	7.3
111.08066	4.5
115.05423	3.3
117.07020	18.8
119.08582	100.0
120.09383	4.8
121.06490	6.0
121.09343	2.7
121.10152	39.2
122.07294	2.6
123.08086	15.1
123.11696	8.1
125.05973	6.4
125.09628	4.5
128.06215	7.7
129.06984	13.6
130.07756	7.1
131.08572	36.6
132.09277	2.2
133.06509	3.9
133.10132	55.1
134.10876	2.1
135.08060	12.9
135.11707	28.9
137.06004	2.8
137.09581	8.6
139.11099	2.4
141.06979	5.6
142.07823	10.7
143.08560	30.0
144.09306	7.5
145.06427	3.6
145.10126	70.7
147.08047	12.8
147.11691	23.0
149.05920	3.2
149.09599	8.4
149.13260	6.6
151.07555	21.7
151.11143	1.9
153.06964	3.4
154.07742	3.3
155.08597	12.8
156.09291	9.5
157.10143	36.8
158.10974	9.5
159.08028	6.1
159.11691	36.0
160.12575	2.1
161.09604	8.6
161.13283	11.3
163.07408	2.2
163.11179	18.4
163.14926	3.5
165.06996	3.9
165.09123	16.0
167.08530	5.9
168.09288	5.1
169.10120	20.3
170.10883	4.9
171.11714	23.6
172.12424	4.5
173.09602	6.1
173.13252	24.7
174.10440	2.5
175.07477	2.4
175.11169	6.1
175.14807	26.8
177.09096	3.4
177.12703	4.4
179.08548	5.6
180.09346	5.0
181.10155	12.8
181.12231	18.1
182.10878	9.0
183.08055	2.3
183.11705	23.3
184.07338	4.6
184.12460	5.1
185.09529	3.0
185.13258	17.7
187.11143	4.4
187.14798	10.4
189.09143	2.8
189.12746	8.7
190.13495	3.2
191.10628	4.8
191.14232	4.7
193.10103	7.3
193.12305	3.5
193.15959	2.6
194.10893	3.5
195.11711	17.4
196.12460	4.6
196.99606	2.3
197.09648	2.3
197.13191	21.1
199.11205	4.5
199.14825	8.6
201.12744	4.3
201.16370	17.8
203.14297	11.6
206.10858	4.2
207.11682	9.0
207.13799	13.2
208.12460	5.1
209.11658	6.0
209.13434	13.2
209.15202	4.1
210.13904	2.9
211.11131	2.9
211.14737	9.5
213.12735	3.2
213.16400	2.6
215.10776	3.2
217.15852	4.2
219.17462	11.6
220.12428	3.5
221.13275	6.4
221.15335	35.7
222.14015	3.9
223.14833	11.7
225.16443	5.0
234.16167	4.7
235.14813	7.6
236.15646	3.1
237.12782	2.8
237.16391	3.5
239.14375	2.4
241.19472	3.7
245.19044	2.8
247.14775	3.1
247.17006	5.0
249.16382	3.4
251.14383	2.6
251.17729	3.0
253.15865	3.3
253.19342	3.6
255.13622	2.4
259.20575	4.6
261.16327	4.9
261.22034	3.3
263.18051	4.1
265.19470	3.0
269.19147	2.3
271.20581	5.4
277.19504	2.6
279.21243	3.3
281.19119	3.3
283.15387	5.6
283.20410	4.3
285.18625	3.0
285.22025	4.4
286.19296	3.8
287.20023	3.8
295.20660	3.0
297.22003	3.1
299.20184	3.7
301.16360	9.4
311.20084	2.8
312.20859	3.1
325.21619	3.6
335.25964	12.4
337.21658	2.5
345.13333	3.5
349.25229	3.3
351.26907	3.1
352.24017	17.4
365.24728	4.1
391.17319	6.0
409.18689	2.6
425.30228	3.2
436.11908	2.1
438.31122	5.7
451.31982	2.6
469.33249	2.4
487.23303	8.0
492.35251	2.4
504.36041	31.7
505.36621	6.9
525.36029	3.6
532.73920	2.3
533.28558	3.1
541.27710	3.4
543.36816	10.3
561.37933	8.4
566.40674	5.9
583.41077	8.5
584.42188	19.2
585.42438	3.9
741.43774	10.5
759.44647	35.4
776.41168	5.4
777.42639	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	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05511	2.3
57.03440	1.6
61.02921	4.8
67.05501	7.3
69.03436	2.7
69.07069	2.3
69.80698	2.4
71.01370	0.6
71.04995	1.7
73.02905	2.8
79.05498	6.1
81.03414	2.4
81.07056	6.5
83.04982	1.1
83.08620	0.8
85.02907	3.7
91.03970	2.0
91.05473	5.7
93.07042	6.4
95.04988	1.7
95.08598	4.0
97.02898	4.2
97.06562	0.9
98.20789	0.5
99.04460	1.0
101.02391	1.2
105.07036	4.3
107.04977	0.8
107.08600	2.4
109.02896	0.8
109.06555	0.7
109.10178	1.8
117.05598	0.5
117.07013	1.0
119.08598	2.7
121.06527	0.9
121.10176	1.0
123.08078	0.9
127.03954	1.0
129.07050	1.3
131.08575	1.2
133.10153	1.9
135.11742	1.3
143.08582	0.7
145.10153	1.5
147.11732	1.4
149.09721	0.5
151.07672	0.4
157.10139	0.6
161.13235	0.7
163.11235	0.6
165.09123	0.5
171.11722	1.1
181.12386	0.5
181.14493	0.4
184.07404	1.0
185.04276	0.5
189.12804	0.7
243.08414	2.3
247.13097	1.0
253.14536	0.8
254.14638	0.7
291.19952	0.5
333.20459	1.9
406.83371	0.4
420.16913	0.5
439.19601	1.3
453.21146	0.7
456.83002	0.5
465.20993	8.9
468.79037	0.5
520.34070	0.6
533.27863	0.9
551.28058	4.8
592.06500	0.6
677.34509	0.9
724.21686	0.6
775.42383	100.0
776.42755	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	775.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.3
57.03440	12.5
58.72223	3.9
59.05009	4.4
64.21034	4.2
67.05500	82.9
69.03438	12.5
69.07070	31.8
69.49373	31.9
79.05494	66.4
81.03436	14.6
81.07059	100.0
83.04994	8.2
83.08632	10.1
85.02905	7.1
86.09714	11.9
91.05482	48.7
93.07040	82.2
95.04989	10.4
95.08607	69.7
97.02886	5.0
97.06535	6.7
97.10140	5.3
98.20983	15.1
105.07034	43.8
107.04939	4.6
107.08601	45.0
109.06544	11.5
109.10153	40.1
117.07052	19.4
119.08579	40.9
121.10127	35.1
123.08086	7.2
123.11710	16.2
125.00010	13.7
129.07045	8.1
131.08586	28.3
133.06520	5.1
133.10098	27.9
135.08105	5.2
135.11728	16.9
143.08542	9.0
145.06566	4.9
145.10136	22.3
147.11700	14.4
149.09627	5.9
149.13249	10.3
155.08568	7.1
157.10085	7.4
159.11728	17.4
161.13255	9.8
163.14868	5.0
169.10126	7.6
171.11732	9.9
173.13289	13.1
175.11086	4.2
184.07364	47.8
185.07692	7.5
185.13297	6.5
187.14790	6.9
197.13177	4.9
199.14758	5.4
203.14439	6.7
259.17264	4.8
261.22137	15.3
303.85995	5.0
307.71567	4.2
333.24500	7.1
334.99295	4.2
335.25766	92.6
337.27463	9.3
341.25235	6.3
369.24210	8.2
387.25040	5.3
405.26416	6.5
479.29819	7.2
518.04327	5.6
613.47784	16.0
623.45758	5.3
657.49768	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	775.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05510	2.8
57.03437	2.3
61.02937	3.3
67.05507	7.0
69.03423	3.1
69.07069	1.8
71.50403	0.7
71.50802	0.7
73.02918	2.3
79.05494	5.9
79.64376	0.6
81.03420	2.2
81.07059	7.7
83.04986	1.1
83.08640	1.6
83.14766	0.7
85.02907	3.4
85.06548	0.8
86.09709	1.1
91.03957	1.8
91.05473	5.8
93.07041	7.2
95.04969	1.8
95.08609	5.0
97.02883	3.3
97.06527	1.1
97.10162	1.1
99.04438	1.4
105.07035	6.2
107.04973	1.6
107.08591	4.0
109.06488	1.0
109.10160	2.8
117.07085	1.9
119.08586	2.7
121.06512	1.2
121.10144	1.9
125.00023	0.8
127.03934	1.1
130.96370	0.7
131.08611	0.8
133.10136	4.1
135.08049	0.9
135.11674	3.3
145.10141	2.5
146.68265	0.7
151.07483	0.8
151.11227	1.5
157.10165	1.0
159.11739	0.8
159.88194	0.7
163.11160	5.3
181.12292	0.8
184.07320	3.2
227.12906	2.4
243.08469	3.4
249.11020	5.9
291.19653	1.0
305.13699	2.5
331.19159	1.3
343.82712	0.7
365.23523	0.9
467.18839	12.2
520.33789	1.1
540.21936	0.7
549.27014	5.4
759.86060	0.7
775.38776	100.0
776.39148	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	775.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05510	2.6
57.03431	1.3
59.57636	0.3
60.08147	0.4
61.02926	3.9
67.05514	4.4
69.03430	3.4
69.07069	3.7
70.56320	0.6
70.56635	0.4
71.01341	0.7
73.02916	3.0
76.46847	0.3
79.05502	3.9
81.03428	2.5
81.07057	4.0
82.07307	0.4
83.04976	1.1
83.08609	1.5
85.02907	3.2
86.09721	0.9
86.60751	0.4
91.03967	2.1
91.05479	3.3
91.38596	0.3
93.07050	4.1
95.04961	1.6
95.08604	2.9
97.02892	3.8
97.10159	2.1
99.04449	0.4
101.02370	1.1
105.07056	2.1
107.04950	1.3
107.08606	3.6
109.02914	0.7
109.06502	0.7
109.10130	1.4
111.08092	0.6
115.03988	0.4
117.07041	1.3
119.08589	2.7
120.08970	0.4
121.06561	0.6
121.10155	1.6
123.08033	0.5
125.00010	0.5
125.09645	1.6
127.03884	0.9
129.05473	0.4
131.08548	0.9
133.10146	2.1
135.08072	0.9
135.11696	3.0
143.08578	1.2
145.10107	2.3
145.28105	0.4
147.11681	1.0
159.11774	0.5
161.09669	0.4
163.11201	2.9
181.12183	0.6
184.07352	2.2
185.04324	0.6
192.13980	0.4
205.99524	0.4
211.13393	0.4
212.13641	0.5
219.10017	0.7
223.13364	1.1
227.12790	2.2
243.08444	3.7
249.10956	4.1
253.14474	0.5
265.97449	0.4
266.07651	0.4
291.19617	1.4
292.19833	0.4
301.09125	0.7
305.13486	1.9
315.19235	0.7
331.18918	0.8
333.20465	0.7
359.59814	0.4
365.23453	0.4
387.21439	0.5
465.21204	0.9
467.19019	7.5
483.18344	1.6
533.27362	0.9
539.21167	0.7
549.26727	5.3
551.28198	0.8
560.35980	0.4
577.36658	0.6
578.36493	1.2
613.33600	0.6
646.80676	0.4
775.38898	100.0
776.39282	6.7
777.09851	0.4
782.22870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.9
57.03437	2.4
57.07078	100.0
59.05004	36.4
67.05514	2.5
68.77786	0.9
69.03439	0.8
69.07077	3.1
69.43732	5.7
71.08633	72.8
73.02888	0.8
73.06549	0.9
79.05518	2.3
81.07074	3.1
83.08632	2.1
85.10186	67.6
87.04033	1.1
87.04465	5.2
89.06031	30.0
89.06573	1.6
91.05487	1.5
93.07048	1.6
93.30235	0.8
95.08621	2.1
97.10204	2.6
99.11738	11.4
100.15056	0.8
101.09673	2.6
108.30805	0.8
113.13258	4.4
117.09143	15.5
117.09918	1.4
119.08620	1.0
121.10165	0.9
125.00040	1.0
130.08699	0.9
131.07051	1.3
133.08617	20.4
137.06059	2.0
146.08833	0.8
155.17944	6.8
155.18851	0.6
175.09703	1.3
175.13281	0.7
177.11230	6.3
184.07336	4.6
200.48207	0.7
213.22157	14.9
213.24220	0.8
221.13960	2.4
229.06805	0.8
234.22404	0.7
271.26346	19.5
271.29099	1.0
277.18106	1.6
283.17719	1.0
287.26566	1.0
329.30618	0.8
371.22806	7.1
375.61700	0.8
429.27069	1.2
506.78604	0.9
612.47101	1.3
615.46130	1.9
743.10083	0.9
774.59167	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.9
57.07070	0.5
58.06607	0.8
59.05008	0.3
60.07891	0.4
60.08167	5.9
63.24608	0.3
67.05487	0.5
69.41729	0.4
69.42126	2.3
71.07388	3.3
71.08632	0.4
79.05491	0.5
79.43550	0.3
81.07038	0.9
86.09706	30.5
88.62832	0.3
93.07005	0.4
95.08593	0.5
98.98453	3.4
104.10725	2.7
105.06968	0.4
125.00005	23.0
133.10059	0.4
143.08510	0.3
149.16222	0.3
184.07341	100.0
185.07690	1.0
234.51608	0.3
250.25362	0.4
317.25049	0.4
335.25800	0.4
556.03302	0.4
599.16620	0.3
671.27612	0.3
756.55664	4.4
757.55798	0.5
775.52588	0.4
778.38385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
55.05506	14.8
57.03435	7.5
57.07069	2.0
61.02922	4.4
65.03933	2.3
67.05135	2.3
67.05503	44.4
69.03420	3.7
69.07055	12.7
71.04997	22.9
71.49453	1.5
71.49848	1.7
73.02914	3.2
73.06519	1.4
79.05490	32.7
80.05823	1.8
81.03428	6.4
81.07056	58.2
82.07397	1.8
83.04971	4.5
83.08620	7.1
85.02908	5.0
85.06531	4.2
86.09708	7.9
91.03955	1.8
91.05477	41.3
92.05807	2.0
93.07043	37.6
94.07385	2.3
95.04987	5.1
95.08604	18.7
97.02880	4.4
97.06539	4.8
97.10184	2.5
101.02381	1.3
105.07029	36.5
107.04951	2.9
107.08598	18.5
109.06517	2.0
109.10182	9.7
117.07023	12.5
119.08577	22.6
121.06504	2.1
121.10143	12.5
123.11700	8.3
125.00011	5.5
125.09631	3.7
129.05493	1.6
129.07014	7.2
130.83685	1.4
131.08566	14.5
133.10130	26.3
135.08075	2.1
135.11719	10.1
139.11205	1.8
142.07784	1.9
143.08557	6.6
145.10112	10.2
147.11682	14.9
149.09608	1.8
149.13248	7.0
151.11226	3.5
155.08591	2.8
157.10107	8.7
159.11717	11.5
161.13243	7.2
169.10138	3.0
171.11734	7.5
173.13228	6.5
175.11302	1.4
175.14877	2.2
177.12729	2.0
179.30927	1.2
183.11725	3.5
183.13867	2.7
184.07341	23.2
185.13307	4.9
186.73122	1.3
187.13318	2.2
195.13873	1.7
197.13300	3.1
199.14903	2.9
209.13284	2.0
214.03131	1.6
241.19707	6.5
243.08455	2.6
243.15973	3.2
257.17313	2.1
259.20718	12.5
267.15860	3.1
269.17484	2.9
299.14999	2.4
301.19974	11.1
315.23291	3.4
333.24249	19.0
335.26135	6.5
361.23862	1.4
409.31131	3.4
435.32709	4.5
465.21161	5.0
466.21277	5.4
483.34656	3.2
501.35764	45.9
503.37466	2.7
515.37000	1.4
527.37317	30.7
528.37622	1.9
533.38684	4.7
535.03265	1.5
545.38361	6.0
549.26556	1.9
550.27112	2.0
556.82324	1.5
559.40070	11.3
774.41052	100.0
775.41541	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	774.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.0
55.05515	24.9
57.03439	19.2
57.07056	3.0
61.02913	1.8
61.41970	1.9
65.03943	3.8
67.05507	70.5
69.03425	3.1
69.07073	19.3
71.04968	3.9
77.32915	2.2
79.05495	51.2
81.03424	93.2
81.06593	3.5
81.07061	69.5
83.04984	8.1
83.08621	23.2
85.02927	2.5
85.06550	3.7
91.05480	44.3
93.07045	51.4
95.04976	33.9
95.08610	47.7
97.02897	2.9
97.06535	5.3
97.10164	8.4
97.22018	2.2
105.04542	2.6
105.07037	31.5
107.04955	8.4
107.08595	28.1
109.06511	3.8
109.10162	21.0
111.04455	2.4
111.08100	6.7
115.05447	3.7
115.26077	2.1
117.07044	9.3
119.08579	24.6
121.06493	5.1
121.10155	27.7
123.08087	3.1
123.11732	6.9
125.09672	5.5
129.07047	12.7
131.08557	22.0
133.06509	4.9
133.10130	16.0
135.08070	3.5
135.11684	12.6
137.09618	2.4
143.08643	2.2
145.10135	10.1
147.08035	4.9
147.11703	16.5
149.09631	4.9
149.13258	8.1
151.11136	1.9
153.68605	1.8
157.10132	10.8
159.11702	7.4
161.13293	8.5
161.80234	1.8
163.11182	2.1
163.14870	2.5
164.82693	2.0
165.12758	2.4
165.76778	2.4
166.81674	1.8
171.11700	3.2
173.09589	2.1
173.13263	5.8
175.11154	7.5
175.14856	3.3
184.07375	4.1
187.14816	3.3
189.11270	3.4
193.12242	22.6
211.13330	2.0
227.12816	7.6
229.40489	2.2
243.21132	6.8
249.14996	1.9
261.22208	16.6
267.15927	100.0
268.16373	4.3
279.23434	2.9
285.22351	2.4
301.14551	2.7
301.22110	2.2
301.25110	9.3
309.16971	2.3
317.24799	2.7
335.25809	89.8
336.26123	4.2
435.32654	4.8
453.33691	9.2
471.34943	2.3
527.37335	71.7
545.30469	3.1
545.38416	43.2
546.38666	3.4
569.38470	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	774.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
55.05274	1.5
55.05513	19.5
56.05040	1.0
57.03194	1.3
57.03441	17.3
57.07063	4.0
59.04990	1.4
60.08165	6.3
61.02915	2.4
65.03927	3.2
67.05507	63.1
69.03410	3.8
69.06720	1.5
69.07072	15.8
69.62756	6.3
70.06572	1.4
71.01372	1.7
71.04985	4.0
71.07365	2.2
71.08619	2.2
73.02897	1.4
79.05495	48.9
81.03421	82.1
81.07056	61.9
82.07402	1.0
83.04991	6.3
83.08614	20.0
85.02900	1.5
85.06523	2.8
85.10200	1.1
86.09710	29.5
89.06037	1.2
91.03912	1.0
91.05485	35.2
93.07048	47.9
95.04974	26.5
95.08611	49.3
97.02879	4.4
97.06514	4.9
97.10165	6.5
98.98466	4.2
99.08085	1.9
104.10737	2.2
105.07037	26.9
107.04978	6.2
107.08604	25.6
109.06540	5.9
109.10158	19.9
111.04437	2.0
111.08080	7.4
113.05970	1.5
115.05441	1.1
117.07031	9.4
119.08583	24.5
121.06503	3.8
121.10149	24.1
123.04395	1.8
123.08047	3.2
123.11704	7.3
125.00014	21.1
125.09631	4.3
129.05440	1.0
129.07007	10.3
131.08580	19.5
133.06468	3.1
133.10143	14.9
135.08034	1.6
135.10840	1.2
135.11711	13.2
137.09621	2.3
137.13235	2.0
139.11143	2.3
142.07803	2.2
143.08524	2.5
145.10138	11.0
147.08061	2.8
147.11691	13.9
149.09654	5.2
149.13239	6.6
151.11136	1.1
155.08485	1.3
157.10149	10.7
159.11668	7.4
161.13263	7.7
163.11180	2.9
163.14789	2.5
165.12810	1.9
171.11671	2.8
173.11855	1.6
173.13182	5.4
175.11197	7.3
175.14705	2.0
181.10107	1.1
183.11682	1.1
184.07350	100.0
185.13237	1.5
187.14790	4.1
189.11232	3.0
193.12260	17.6
197.13170	1.2
199.11157	1.5
211.13252	2.3
226.18919	1.0
227.12784	5.2
227.20105	1.8
242.20529	0.9
243.21120	5.5
249.14851	2.9
259.20483	1.6
261.22165	19.6
267.15927	81.1
277.21872	1.0
279.23102	2.0
285.17157	2.4
285.22134	1.6
289.21521	1.0
301.25201	6.9
303.23505	1.0
309.16895	1.4
317.24719	2.8
335.25815	71.7
336.26193	2.5
347.18176	1.1
365.35248	1.2
435.27200	2.3
435.32477	3.6
453.33670	7.9
461.28949	1.1
471.34979	2.0
509.36252	1.5
527.37341	56.0
528.37555	3.1
531.37024	1.6
545.38403	49.5
546.38348	4.1
563.39215	3.0
569.38654	2.2
594.03900	1.3
635.39160	1.8
671.41418	1.3
689.41589	1.5
774.47998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.7
55.05515	15.7
57.03435	9.2
57.05747	1.5
57.07073	2.3
59.05011	1.7
59.47506	1.6
61.02927	3.5
62.70495	1.3
65.03927	3.1
67.05505	100.0
69.03437	9.0
69.07065	20.9
70.06553	1.6
71.04996	36.6
71.49622	1.5
71.70120	1.7
73.02910	1.5
73.62341	1.3
73.94282	1.6
79.05495	39.1
81.03422	11.8
81.07058	61.9
83.04969	12.9
83.08625	9.5
85.02888	6.4
85.06549	7.7
86.09709	3.2
91.05482	64.4
93.07048	45.3
93.07641	2.4
95.04986	11.9
95.08059	2.5
95.08614	29.0
97.02882	3.8
97.06530	9.8
97.10142	3.1
99.04492	1.9
99.08086	2.0
103.05492	1.9
105.07035	39.7
107.04977	7.5
107.08595	38.9
109.06512	9.3
109.10159	73.8
111.08076	4.8
113.05961	1.8
115.05455	1.6
117.07011	11.0
119.08583	25.8
121.06505	6.4
121.10142	10.8
123.08067	4.9
123.11703	9.4
125.00002	2.4
128.06172	1.9
129.06993	4.4
130.07825	1.3
131.08580	13.4
133.06500	5.0
133.09120	3.3
133.10130	65.1
134.10536	1.7
135.08055	5.1
135.11699	17.0
137.09636	12.6
139.07538	1.7
143.08553	5.8
143.66891	1.4
145.10117	11.0
147.08075	2.8
147.11690	6.1
149.09644	6.1
149.13246	3.1
151.11197	29.1
155.10660	2.4
155.56749	1.4
157.10124	3.1
159.08057	3.5
159.11743	5.2
161.09622	7.9
161.13257	2.6
163.11191	5.8
169.12276	7.4
171.11656	3.3
173.11719	5.2
173.13174	2.2
175.11188	3.3
177.09100	1.8
179.10692	1.8
181.12245	2.6
183.11761	1.6
184.07385	12.9
211.13286	3.9
215.12808	2.7
221.15344	1.9
229.14369	4.3
243.15999	2.7
245.18953	2.7
251.12601	2.1
253.14351	85.2
254.14798	2.5
255.15675	3.0
259.20499	1.9
261.22119	2.5
263.20074	2.3
267.15753	1.7
269.17493	1.8
273.18497	14.6
275.19980	2.2
285.17001	2.6
287.18506	28.6
291.19571	15.8
299.14688	7.3
335.25961	7.8
347.22116	5.1
360.31613	1.6
365.23203	16.1
407.24246	5.8
421.25940	1.8
437.25092	2.7
439.26941	24.0
451.26883	3.3
465.28531	2.7
481.28226	1.8
483.29474	6.5
501.31580	9.0
519.33179	54.8
520.33398	3.1
527.33716	5.1
533.34564	8.3
541.35168	5.1
545.34741	24.7
546.35406	2.3
559.36005	9.9
577.37354	36.9
577.46350	1.3
578.37439	1.7
774.40613	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.2
55.05274	1.9
55.05518	24.3
57.03443	9.5
57.07071	1.2
59.05009	2.6
61.02933	3.0
65.03936	3.1
67.05508	90.6
69.03434	11.5
69.07074	31.0
69.92486	5.9
71.04997	25.5
71.08639	1.5
73.02923	3.1
79.05497	35.2
81.03426	13.1
81.07059	37.1
82.07387	1.2
83.05003	9.7
83.08634	12.6
85.02918	7.4
85.06543	2.8
86.09714	5.2
91.03976	2.1
91.05489	35.3
92.05833	1.5
92.82837	1.0
93.07050	37.7
93.07642	2.2
95.04969	11.1
95.08615	22.1
97.02899	14.3
97.06540	5.1
97.10193	12.9
98.20891	1.5
99.04461	1.3
99.08087	2.1
102.55864	1.2
103.05484	1.0
105.07034	20.4
106.07376	1.7
107.04963	9.0
107.08601	24.8
109.02886	2.1
109.06518	4.8
109.10161	53.8
110.10479	1.5
111.04414	1.4
111.08096	4.7
116.07059	1.2
117.07004	9.4
119.05015	1.6
119.08582	22.8
119.09380	1.9
120.08871	1.2
121.06526	4.3
121.10163	10.9
123.08080	3.2
123.11719	1.2
124.99999	2.6
125.09643	7.7
126.43596	1.2
128.06264	2.5
128.33221	1.1
129.07011	2.5
131.08580	9.7
133.06500	4.0
133.10130	12.2
134.10515	1.4
135.08054	6.5
135.11690	11.7
137.09624	12.7
140.81848	1.1
141.07022	2.5
142.07768	2.3
143.08589	3.4
145.10141	8.5
147.08072	6.7
147.11708	5.8
149.09628	5.1
149.13261	2.8
151.11171	2.9
153.12709	1.4
155.08688	1.4
155.10680	2.5
157.10123	3.4
159.11714	3.7
161.09625	3.2
163.11227	4.2
165.09143	2.0
169.12230	3.4
171.11641	1.8
173.11780	4.4
173.13144	1.4
175.11209	4.0
177.12766	2.4
181.12199	2.4
184.07379	11.0
185.13225	1.2
189.09058	1.1
193.12245	4.2
194.12608	1.4
195.13680	1.7
205.12263	2.1
211.13272	10.4
212.13683	2.0
216.61151	1.3
221.15463	1.3
223.13293	18.6
227.12802	5.9
243.15990	3.5
245.19073	2.2
249.14964	2.7
253.14369	6.1
254.14758	2.6
255.15759	6.9
262.15393	1.2
263.60773	1.1
267.15967	2.5
273.18512	13.2
274.18930	1.2
285.16943	3.2
287.18546	20.0
291.19547	83.2
292.19821	2.8
293.21088	2.3
335.25760	5.7
365.23282	20.4
407.24677	1.3
439.26831	1.8
465.20972	1.7
467.18948	3.1
501.31723	2.9
519.33203	100.0
520.33411	4.4
533.34705	14.3
545.34808	50.1
546.35138	3.1
559.36273	4.8
576.35712	1.7
577.37292	34.6
578.37262	1.2
623.69672	1.4
728.03131	1.3
775.40900	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	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.4
55.05513	51.6
57.03435	27.2
57.07058	10.4
59.05011	6.2
61.02919	5.7
65.03947	5.9
67.05184	7.2
67.05504	97.1
68.05835	5.0
69.03420	20.2
69.07070	34.0
69.48380	32.8
70.06595	6.5
71.04980	11.1
78.84816	4.7
79.05492	100.0
81.03422	97.8
81.07058	97.4
83.04982	36.5
83.08614	60.8
85.02905	38.1
86.09688	14.0
91.05479	82.7
93.07043	85.0
94.07345	4.7
95.04968	43.6
95.08607	49.5
97.02859	7.8
97.06523	17.6
97.10174	23.4
99.04474	6.9
99.08072	4.8
102.07396	4.3
105.04587	5.3
105.07034	68.5
106.09520	4.6
107.04961	25.2
107.08601	63.8
109.06520	13.5
109.10149	30.8
111.04437	8.0
111.08104	20.3
115.07466	4.3
117.07003	23.7
119.08597	52.0
121.06483	12.8
121.10145	30.9
123.08054	7.5
123.11704	9.0
124.99982	6.9
125.09612	28.1
127.03864	5.8
129.07005	21.1
131.08595	33.0
133.06526	6.4
133.10138	44.9
135.08061	12.0
135.11673	18.1
137.09593	6.0
145.10146	24.3
147.08044	8.0
147.11684	31.1
149.09608	23.6
149.13249	5.9
151.11203	4.8
157.10121	26.3
159.11688	15.7
163.11188	15.2
165.12770	7.6
169.10191	6.0
171.11682	6.2
171.13777	33.0
175.11172	21.5
184.07367	37.2
187.11301	5.6
189.11229	10.5
193.12262	58.2
211.13261	90.3
227.12788	41.6
228.13010	6.8
255.15862	8.6
257.18921	11.0
267.15842	45.4
269.17548	25.5
275.20016	35.8
285.17020	58.0
331.22638	5.3
344.53564	4.4
349.23740	38.4
367.24768	7.0
413.21576	5.3
447.27567	9.7
455.26227	10.2
461.29211	27.7
465.28329	12.7
479.30078	71.0
541.35455	32.6
559.36157	70.1
577.37054	13.0
774.37500	50.1
775.37885	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.1
55.05511	28.1
57.03428	17.3
57.07061	10.1
59.04992	7.7
61.02927	13.4
65.03932	4.1
67.05509	88.6
69.03416	9.0
69.07077	28.0
69.88438	2.1
71.04978	4.9
71.08617	6.0
71.49895	4.1
73.02905	10.1
77.03902	2.4
79.05495	79.5
79.61291	2.2
81.03403	7.8
81.07059	90.4
83.04960	3.5
83.08585	10.6
83.09016	2.3
85.02908	15.8
85.06526	4.2
85.10175	4.6
85.16035	2.2
89.05999	4.4
91.03958	6.8
91.05487	68.3
93.07050	92.3
93.18496	2.4
95.04957	10.0
95.08611	64.5
97.02895	9.4
97.06512	10.2
97.10168	8.0
101.95668	2.2
103.05448	3.2
105.07038	67.7
107.04951	3.1
107.08606	50.5
109.02858	2.4
109.06522	5.4
109.10161	27.5
111.04371	2.2
111.08078	5.8
115.05448	6.5
117.07028	24.7
119.08585	56.5
121.06513	2.5
121.10146	39.4
123.08105	4.0
123.11704	7.0
125.05981	2.9
125.09597	2.8
128.06223	4.6
129.05461	2.5
129.07019	19.7
130.07790	2.8
131.08583	37.9
133.10143	46.2
135.11703	23.4
137.05940	9.3
137.09589	3.6
141.06975	6.7
142.07780	3.9
143.08562	20.4
145.10138	42.4
147.11687	39.9
149.09589	2.6
149.13249	18.9
155.08537	8.9
157.10149	16.1
159.11720	31.0
161.09650	2.6
161.13240	26.5
163.14841	9.5
167.08521	3.2
169.10133	8.5
171.11693	18.9
173.13283	23.1
175.14813	14.3
177.12587	3.4
181.10114	4.6
183.11655	8.2
184.07281	6.7
185.13312	15.5
187.14886	11.6
189.12859	3.4
197.13280	10.3
199.14920	12.0
201.16376	5.8
209.13341	2.8
211.14772	7.2
213.16431	6.1
215.17909	2.3
217.19586	3.1
218.75266	2.3
227.17937	3.3
229.19368	3.1
231.21034	3.0
239.17865	2.8
241.19536	26.2
257.18982	8.1
259.20605	45.7
261.22150	9.2
271.20544	4.1
277.18011	7.7
283.20453	3.1
301.21579	3.8
313.21622	3.3
315.23123	3.2
316.89258	2.5
333.24243	29.0
335.25824	79.3
351.25510	3.1
353.28391	3.1
367.22855	4.2
375.24988	4.8
507.35260	3.2
519.41882	4.7
593.45508	9.5
609.44507	4.8
611.46704	100.0
615.45959	8.9
623.46912	5.9
635.46051	2.6
689.47235	2.5
701.47687	4.0
719.48132	4.3
737.49463	8.1
755.50800	5.6
773.43622	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.7
55.05517	32.8
57.03439	19.2
57.07077	6.7
61.02922	15.2
65.03931	6.6
67.05508	100.0
69.03413	9.8
69.07072	33.6
69.50329	19.9
70.94712	2.6
71.04998	6.9
73.02913	6.6
77.03905	2.9
78.38752	2.8
79.05498	83.7
79.90591	2.3
81.03406	5.1
81.06596	5.5
81.07058	88.1
83.04965	4.8
83.08614	13.9
85.02893	11.2
85.06583	3.4
91.03953	5.8
91.05482	74.6
93.07046	89.8
95.04967	8.7
95.08608	70.2
97.02885	12.8
97.06515	6.9
97.10167	6.0
99.08096	6.2
104.33260	2.7
105.04535	3.7
105.07040	74.0
107.08593	45.1
108.51250	2.6
109.02863	2.9
109.06487	6.5
109.10155	26.5
111.08096	4.4
117.07028	27.3
119.08588	66.0
121.10147	37.6
123.11714	5.3
128.06248	5.0
129.07028	14.4
131.08582	42.8
133.10124	48.2
135.11678	28.5
141.06981	7.4
142.07819	3.6
143.08575	23.8
145.10139	40.1
147.08040	3.9
147.11690	42.5
149.13297	16.8
151.14839	3.5
155.08540	6.0
157.10159	22.3
159.11694	32.7
161.13239	28.2
163.14780	6.8
169.10120	9.0
171.11684	17.3
173.13222	18.1
175.14792	15.5
177.12816	4.3
181.10136	6.0
183.11717	8.3
184.07359	4.2
185.13260	12.6
187.14832	10.0
189.12752	2.8
189.16434	3.1
195.11581	3.6
197.13266	5.0
199.14767	12.8
201.16316	4.7
209.13356	4.5
211.14848	3.4
213.16380	6.3
221.13379	3.1
223.14771	4.0
225.16383	2.5
231.21211	4.6
241.19543	24.8
243.21141	4.4
257.19006	11.6
259.20557	49.7
261.22119	9.7
289.21841	2.8
301.21744	3.0
333.24234	36.5
335.25781	81.3
336.26147	3.4
337.27493	3.4
367.22720	4.5
375.25052	3.9
385.23578	3.6
454.92990	2.7
519.41724	5.5
541.38287	4.6
593.45813	13.6
611.46686	98.0
612.46777	3.3
653.46765	2.8
701.47290	6.7
719.48065	7.0
737.49579	3.5
755.50903	6.1
773.51337	11.0
787.20959	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	773.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
57.03439	1.2
61.02925	6.3
62.70301	0.9
67.05502	5.1
69.03428	4.5
69.07061	2.9
70.96467	0.9
71.05000	0.9
71.49252	1.0
73.02924	5.7
79.05505	3.1
81.03436	1.8
81.07068	5.4
83.08633	1.7
85.02907	5.2
91.03957	4.1
91.05478	1.8
93.07047	4.6
95.08614	5.4
97.02898	5.4
97.06558	0.9
99.04486	1.1
101.02378	2.3
107.08601	2.2
108.49099	0.8
109.10167	1.8
121.10160	1.5
124.99976	1.2
127.03944	1.6
135.11752	1.5
167.14578	0.9
182.83279	0.9
184.07335	4.5
185.04205	1.3
243.08501	1.7
330.32047	1.0
489.72076	1.1
495.29489	4.3
519.29456	8.2
599.63971	1.0
773.51740	100.0
774.52069	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	773.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89500	0.6
55.01870	1.2
55.05508	2.4
56.05852	0.6
57.03432	3.1
58.38830	0.6
61.02938	3.6
67.05508	9.9
69.03419	3.2
69.07061	2.2
71.04988	1.5
72.25001	0.8
73.02932	3.1
79.05500	7.7
80.05842	0.7
81.03417	2.8
81.07064	8.0
83.04979	1.4
83.08612	1.2
85.02909	5.2
85.06547	0.7
86.09712	1.7
91.03964	2.1
91.05482	8.1
93.07040	8.1
95.04967	2.4
95.08627	6.0
96.08933	0.8
97.02905	4.8
97.06550	0.9
98.21255	0.8
99.04433	1.0
101.02417	1.4
105.07030	6.5
107.04994	1.8
107.08617	3.8
109.02863	0.7
109.10158	3.3
117.07002	1.7
119.08575	3.7
121.06456	0.9
121.10160	2.0
123.08051	1.1
123.11708	1.0
125.00059	1.3
127.03931	1.5
129.07004	1.5
131.08592	1.6
133.06438	0.9
133.10130	2.6
135.11697	0.8
143.08560	0.9
145.04840	0.7
145.10126	0.8
147.08221	0.7
147.11726	2.7
159.11702	0.8
161.09639	1.0
161.13269	1.1
171.11725	1.8
177.12810	0.8
184.07388	5.0
185.04181	1.0
185.07828	0.7
189.12840	0.8
193.12369	0.7
229.14270	1.0
243.08478	2.3
298.02890	0.7
299.15506	0.6
301.08795	0.7
313.17670	1.5
317.16006	0.8
331.18811	3.2
335.25903	2.9
336.26071	1.0
465.20996	13.4
490.36032	1.1
531.25861	2.2
537.22516	1.5
544.36450	0.9
549.26727	3.0
576.39758	0.8
675.33325	3.6
704.33740	0.9
755.39679	12.8
756.40833	1.2
773.40802	100.0
774.41046	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	773.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05510	3.3
57.03444	2.8
57.07082	0.8
61.02934	4.9
67.05505	8.5
68.05859	0.7
69.03430	3.2
69.07074	2.6
69.18871	4.8
70.15990	0.5
71.01348	0.8
71.04990	1.2
73.02915	3.5
79.05494	8.8
81.03413	3.7
81.07063	7.7
83.04992	1.6
83.08636	1.6
85.02898	5.3
85.03320	0.6
86.09711	1.5
91.03963	2.0
91.05488	7.5
93.07046	6.3
95.04983	2.5
95.08598	5.3
96.87495	0.6
97.02888	5.7
97.06551	1.3
98.20744	1.4
99.04483	0.5
101.02390	1.7
105.04526	0.6
105.07039	6.2
107.04971	1.7
107.08607	3.2
109.02907	0.9
109.06522	1.6
109.10179	2.4
117.07047	1.7
119.08614	2.7
121.06542	0.6
121.10150	1.6
123.11769	0.9
125.00031	1.1
125.31075	0.5
127.03950	1.0
129.07028	1.9
131.08594	2.1
133.06551	0.7
133.10115	4.6
135.11691	0.7
139.58904	0.5
143.08559	1.2
145.10147	1.5
147.08049	0.7
147.11716	2.2
157.10107	0.7
161.09706	1.4
161.13258	0.9
163.11212	0.5
171.11780	1.1
175.11165	0.7
179.10881	0.6
184.07320	4.5
185.04243	1.0
193.12216	0.7
225.11188	0.8
229.14395	0.6
243.08424	3.0
247.13168	1.5
261.22232	0.7
273.18692	0.6
299.14932	1.8
313.17810	1.2
317.15906	1.5
331.18896	1.6
335.25897	3.3
336.26053	1.3
373.68222	0.7
451.19614	1.1
465.20987	11.5
482.00116	0.6
529.55627	0.6
531.25726	1.6
537.23364	1.3
544.37177	0.9
549.26959	3.9
576.40460	0.7
611.84979	0.6
641.17761	0.5
675.33264	4.1
755.39825	9.2
756.40338	1.1
773.40753	100.0
774.41077	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	773.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05514	3.1
57.03440	1.3
57.07091	0.4
61.02927	3.8
61.21856	0.4
63.02678	0.4
65.03963	0.8
67.05504	4.2
69.03429	2.8
69.04998	0.4
69.07066	2.2
71.04984	0.5
73.02905	2.6
75.43091	0.4
79.05494	5.5
81.03423	2.8
81.07056	3.9
83.04990	1.2
83.08618	1.3
85.02917	3.6
85.46737	0.4
86.09730	0.6
89.19170	0.4
90.99098	0.4
91.03951	1.8
91.05495	4.4
93.07052	3.8
95.04974	1.2
95.08615	2.4
97.02907	3.7
97.06516	0.5
97.10158	1.9
98.20712	0.6
98.21389	1.8
101.02402	1.0
105.07047	2.8
107.04981	0.5
107.08604	2.2
109.02908	0.5
109.06522	0.8
109.10126	0.9
117.07009	1.0
119.08581	2.3
121.10176	0.9
123.08054	0.7
125.00017	0.5
125.09664	0.7
125.71055	0.4
127.03938	1.7
128.06239	0.7
129.07013	1.4
131.08582	1.0
133.10149	1.2
143.08600	1.0
145.10156	1.0
147.11708	1.6
155.50078	0.5
159.11740	0.5
171.11697	1.5
184.07381	1.5
185.04265	0.5
193.12131	0.4
220.89906	0.4
223.13335	1.3
229.37038	0.5
241.07018	0.4
243.08423	3.4
247.13110	1.2
267.16135	0.4
276.54630	0.4
291.19644	1.6
299.46948	0.5
303.15964	0.4
331.18900	1.0
351.89249	0.4
465.20941	7.7
549.26758	5.7
559.36188	0.5
763.87732	0.5
773.40802	100.0
774.41193	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	773.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.05500	2.1
57.03424	1.1
60.04528	1.4
65.03928	1.6
65.86152	0.7
67.05486	2.4
69.03419	1.2
70.06606	3.6
70.25703	1.6
70.26061	1.5
79.05479	1.7
81.03417	3.5
81.07045	2.4
81.47166	0.7
83.04981	1.0
83.08617	1.5
84.04501	1.5
84.08141	1.7
85.02900	2.3
86.09710	12.7
91.05482	3.8
93.03410	2.6
93.07019	2.4
95.04952	2.1
95.08611	1.7
97.02884	1.5
98.21255	1.5
103.05493	1.5
104.07809	0.7
105.07007	1.8
107.04986	5.3
107.08614	1.6
109.02878	2.6
109.10134	1.7
111.04439	1.4
114.43375	0.6
116.07108	1.1
119.04932	6.8
119.08585	1.1
120.08080	1.1
120.43767	0.7
121.02865	11.6
121.06503	1.8
125.09665	0.7
127.03870	1.6
131.04965	1.2
133.02826	1.2
133.06508	1.5
133.10138	1.1
135.04408	1.3
136.07593	1.0
137.05983	3.4
145.02835	0.9
145.06567	0.7
147.04399	2.3
147.07965	0.7
147.11775	0.7
151.03880	1.5
157.10089	0.8
159.04431	1.5
161.02397	2.4
161.05983	1.4
167.07082	0.8
173.12965	1.0
175.03961	2.3
177.01875	5.9
177.05371	1.3
179.03416	4.8
183.07651	0.8
189.01761	4.6
191.03427	1.4
195.02919	9.5
197.04395	1.1
199.03992	1.1
201.05545	1.2
203.01520	0.9
203.03409	15.8
207.02892	6.3
207.06419	1.5
215.03403	1.9
217.04961	4.9
221.04414	4.3
225.03828	0.8
227.03479	2.2
227.12801	0.8
231.02975	0.9
235.06113	1.4
243.02869	2.8
251.07123	1.6
255.02875	4.0
265.08398	0.8
267.06534	2.0
267.15973	1.2
268.07324	3.7
269.08035	0.9
273.03946	2.4
279.06592	3.2
283.06012	3.4
295.06021	100.0
296.06702	7.0
296.15967	1.5
296.75610	0.9
297.07602	6.4
307.06012	8.6
309.07550	2.5
311.12808	0.8
312.99255	0.8
314.17053	2.4
317.01474	0.9
317.08209	1.1
318.17276	0.8
319.05847	1.5
321.03815	1.4
321.07593	29.5
325.07083	80.9
326.07449	2.2
333.07590	2.1
335.09161	13.4
340.01797	0.8
345.07568	2.7
347.09250	2.0
349.07068	44.9
351.08456	2.3
361.07123	17.8
362.07227	0.8
363.08508	2.8
371.01462	0.8
373.07166	7.7
379.08145	26.1
391.08145	18.0
406.80774	0.7
409.09155	23.9
409.14435	1.5
427.10324	19.9
475.27069	1.1
486.19165	0.8
611.36475	1.2
623.19116	2.7
647.19482	1.2
653.20721	1.5
677.19379	2.7
707.21204	0.9
737.22015	2.0
773.36646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.2
57.03440	1.8
58.63832	0.2
59.31803	0.1
61.02890	0.4
68.99767	0.3
69.03432	0.9
69.84561	0.8
71.04994	7.6
72.61189	0.1
73.02892	0.4
75.04443	0.4
77.36911	0.1
81.03378	0.6
83.04931	0.6
85.02905	12.2
87.04428	0.5
93.03362	0.2
97.02895	1.2
98.20853	0.2
99.04429	0.3
109.02826	0.4
111.00782	0.8
111.04418	0.4
121.02882	0.9
123.04335	0.1
127.03912	0.9
129.04642	0.2
129.05499	2.3
133.66322	0.1
135.04378	0.3
137.01373	0.3
137.02333	2.9
137.03348	0.1
137.05959	0.2
138.06851	0.2
144.08034	0.4
145.04961	0.7
147.06468	0.5
149.02312	0.5
153.01813	2.4
161.05954	0.3
163.03870	0.4
165.01843	1.9
166.02597	0.2
173.06018	0.2
182.16321	0.2
183.02866	0.5
183.04333	0.2
187.03969	0.2
190.27441	0.2
195.02754	0.3
201.05504	1.2
219.02896	0.2
219.06580	0.2
229.04944	3.2
247.06096	0.6
257.04428	2.4
274.04730	0.6
285.03958	1.2
286.04691	0.2
299.05533	0.8
300.06274	0.3
303.04977	100.0
304.05313	2.3
311.05322	0.3
315.04779	0.2
325.07031	0.2
329.06540	1.0
341.06586	0.2
345.06219	0.5
353.06592	0.5
395.07605	0.2
413.08759	0.4
431.09818	0.4
449.10864	0.6
465.10303	20.1
466.10641	0.5
491.11139	0.2
531.19153	0.2
545.13025	0.2
611.16003	0.6
773.93506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2134
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01845	0.2
57.03440	1.8
58.63832	0.2
59.31803	0.1
61.02890	0.4
68.99767	0.3
69.03432	0.9
69.84561	0.8
71.04994	7.6
72.61189	0.1
73.02892	0.4
75.04443	0.4
77.36911	0.1
81.03378	0.6
83.04931	0.6
85.02905	12.2
87.04428	0.5
93.03362	0.2
97.02895	1.2
98.20853	0.2
99.04429	0.3
109.02826	0.4
111.00782	0.8
111.04418	0.4
121.02882	0.9
123.04335	0.1
127.03912	0.9
129.04642	0.2
129.05499	2.3
133.66322	0.1
135.04378	0.3
137.01373	0.3
137.02333	2.9
137.03348	0.1
137.05959	0.2
138.06851	0.2
144.08034	0.4
145.04961	0.7
147.06468	0.5
149.02312	0.5
153.01813	2.4
161.05954	0.3
163.03870	0.4
165.01843	1.9
166.02597	0.2
173.06018	0.2
182.16321	0.2
183.02866	0.5
183.04333	0.2
187.03969	0.2
190.27441	0.2
195.02754	0.3
201.05504	1.2
219.02896	0.2
219.06580	0.2
229.04944	3.2
247.06096	0.6
257.04428	2.4
274.04730	0.6
285.03958	1.2
286.04691	0.2
299.05533	0.8
300.06274	0.3
303.04977	100.0
304.05313	2.3
311.05322	0.3
315.04779	0.2
325.07031	0.2
329.06540	1.0
341.06586	0.2
345.06219	0.5
353.06592	0.5
395.07605	0.2
413.08759	0.4
431.09818	0.4
449.10864	0.6
465.10303	20.1
466.10641	0.5
491.11139	0.2
531.19153	0.2
545.13025	0.2
611.16003	0.6
773.93506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05038	1.0
57.02664	0.1
57.03437	0.1
57.07066	0.4
57.55987	0.1
58.06628	0.5
58.63440	0.1
59.04994	0.3
59.07397	0.2
60.08162	6.2
62.03055	0.1
67.05499	0.5
71.07370	4.1
71.08622	0.3
79.05492	0.2
81.07063	0.3
86.09704	31.4
87.10040	0.4
87.41991	0.1
89.06013	0.2
91.05451	0.2
93.07037	0.3
95.08606	0.3
98.21489	0.3
98.98463	3.4
104.10752	2.0
105.07020	0.2
121.69911	0.1
125.00000	21.1
173.09622	0.1
184.07333	100.0
185.07680	0.8
293.21033	0.2
297.89505	0.1
600.42383	0.2
631.48376	0.4
754.53717	4.4
755.53436	0.3
781.49115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91995	1.4
55.01876	11.8
55.05268	2.3
55.05512	21.9
57.03442	8.4
57.07081	2.0
57.41066	1.6
59.05000	2.4
64.09381	1.8
65.03952	3.0
67.05506	63.8
68.05830	1.8
69.03421	3.8
69.07070	27.9
69.14485	12.4
69.14886	5.1
71.04992	22.6
79.05495	43.1
81.03441	9.2
81.07059	90.0
83.04975	8.5
83.08620	11.1
85.06535	6.4
85.84526	1.9
86.09713	9.3
91.04910	2.9
91.05483	57.7
92.05805	2.3
93.07047	45.5
93.07648	3.0
94.07333	1.8
95.01330	7.4
95.04984	9.1
95.08610	34.7
97.02888	2.4
97.06537	18.0
97.10168	3.3
98.98457	2.1
105.04498	1.8
105.07036	72.4
107.04341	2.2
107.04948	12.3
107.08592	24.1
107.20386	1.7
109.06496	3.9
109.10177	13.0
111.08100	5.3
117.07018	15.2
119.08592	29.9
120.08935	2.2
121.06520	4.1
121.10138	12.1
123.04427	3.4
123.08083	3.7
123.11720	8.1
125.00041	4.5
125.09686	1.8
129.07021	4.2
130.07784	1.9
131.08578	19.2
133.09134	2.6
133.10138	50.6
135.08060	4.3
135.11713	6.7
143.08533	2.4
145.06522	1.6
145.10129	14.8
147.08046	1.9
147.11728	13.1
149.09660	6.5
149.13261	7.4
151.11179	8.1
157.10149	4.0
159.07956	1.9
159.11674	14.0
161.13255	8.4
163.11230	2.6
169.10112	2.9
171.11694	2.4
173.13356	2.6
175.11038	1.9
177.12778	4.7
179.14276	10.1
183.11656	2.0
183.13803	2.5
184.07350	27.3
187.13387	1.8
195.13792	2.4
198.46265	1.9
223.13373	1.9
225.14914	5.5
229.14417	3.4
233.60626	2.2
249.12778	2.0
249.15273	1.9
251.16478	3.1
257.19244	3.6
267.15744	2.6
269.17422	6.6
275.20090	54.3
276.20422	4.4
293.21262	2.9
301.20084	29.0
335.25833	8.4
336.26288	3.5
349.23642	17.1
398.09543	1.8
464.74783	1.8
517.35309	39.1
518.35266	2.4
521.09760	1.9
531.36914	14.5
543.36816	100.0
544.37323	4.1
567.21948	2.4
575.39526	74.5
576.39404	4.6
719.43506	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	772.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21592	0.4
54.89601	0.4
55.01869	4.2
55.05508	7.3
57.03428	1.1
57.05100	0.4
57.07058	1.2
62.06076	0.8
65.03931	0.8
67.05508	19.0
69.03431	0.7
69.06739	0.6
69.07074	6.3
71.08611	0.4
77.44592	0.5
79.05494	10.1
81.07059	36.4
82.07392	0.5
83.05001	3.0
83.08620	3.9
86.09703	0.6
91.05481	6.9
92.23060	0.5
93.07043	8.7
95.04983	0.6
95.08612	15.2
97.06525	1.2
97.10163	0.9
98.21558	1.0
98.98469	0.6
99.65252	0.4
101.09617	0.9
105.07031	4.8
107.08605	5.6
108.58392	0.5
109.06522	11.5
109.10147	5.9
111.04448	15.9
111.08120	1.3
117.07023	1.2
119.08591	5.5
121.06516	0.6
121.10143	5.4
123.08066	1.4
123.11697	3.3
125.00011	0.7
125.05985	5.6
131.08582	2.1
133.06482	0.4
133.10139	5.7
135.08051	2.8
135.11693	5.8
137.05983	100.0
137.13254	2.5
138.06291	1.1
139.07516	0.7
143.08548	0.9
145.10170	1.6
147.08051	1.6
147.11688	6.4
149.09654	3.2
149.13246	1.8
151.07552	2.8
151.11171	1.3
157.10097	2.6
159.11664	1.4
161.09608	5.2
161.13237	2.4
163.11183	2.7
163.14803	1.7
163.60518	0.5
165.09099	2.2
165.12787	1.0
167.10712	0.7
171.11703	1.7
173.13278	0.6
175.11183	5.7
175.14801	1.2
177.12813	0.5
179.09244	0.5
179.10713	1.9
181.12305	0.8
184.07368	1.9
189.12807	1.5
193.12209	0.9
203.17953	7.8
205.19495	0.5
213.16391	3.4
221.19041	1.9
223.14812	0.6
231.17464	8.2
233.30101	0.4
241.15894	1.2
249.18507	7.5
263.23700	0.7
277.17999	52.5
278.18408	1.6
295.19049	6.6
306.27905	1.6
320.22192	6.1
337.27365	16.3
338.23502	0.8
338.27759	0.9
351.21674	11.1
431.18149	0.7
460.28204	0.6
478.29272	0.9
489.35657	0.8
613.44641	75.7
614.44800	5.3
631.45685	12.9
632.46259	1.1
736.45538	0.8
754.47113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.2
55.05511	40.1
57.03440	24.4
61.02927	4.2
65.03937	6.1
67.05508	75.5
68.05836	2.9
69.03440	17.9
69.07069	35.9
69.25105	22.5
71.04984	8.9
73.02921	2.9
76.09492	2.4
79.05492	68.1
80.05810	2.4
81.03423	73.9
81.07056	82.9
83.04987	33.7
83.08625	31.9
85.02901	25.3
85.06545	4.1
86.09698	6.4
91.04905	5.2
91.05481	92.4
92.05837	2.6
93.07050	62.5
94.07404	4.3
94.58582	2.5
95.04977	36.0
95.08602	28.8
96.08913	2.9
97.02896	16.7
97.06523	11.1
97.10151	16.9
99.08115	2.9
104.80909	2.1
105.07031	65.3
107.04969	12.2
107.08596	41.4
108.08845	2.5
109.02894	2.4
109.06515	14.6
109.10161	36.4
109.10844	3.1
109.47021	2.7
111.04439	4.3
111.08084	12.9
113.06011	2.3
115.05428	4.1
117.07032	13.7
119.08577	45.0
121.06511	10.2
121.10137	18.6
123.08073	8.1
123.11700	6.9
125.00047	3.8
125.09642	9.6
127.07541	3.1
129.06999	18.6
130.29355	2.2
131.08562	30.6
133.06508	5.4
133.10138	60.9
133.11116	4.8
135.08060	9.6
135.11723	9.7
137.09607	3.9
142.07735	5.5
143.08609	4.2
145.10109	16.5
147.08026	10.7
147.11688	25.4
149.09625	9.7
151.11186	20.6
157.10144	18.7
159.11656	3.8
161.09613	7.0
161.13254	4.9
163.11131	11.4
164.11580	3.6
165.12749	3.5
171.11732	5.6
173.09607	3.7
173.13391	2.5
175.11189	18.7
177.12811	2.9
183.11722	3.0
184.07378	16.0
189.11226	3.3
193.12250	49.7
199.11221	3.7
211.13295	76.3
223.13335	16.9
227.12755	12.8
228.13203	4.9
245.18954	5.0
253.14394	63.3
255.17587	3.1
263.20163	4.1
267.15958	30.9
273.18484	27.7
275.19980	3.6
283.15363	7.7
284.15784	4.4
285.16995	64.1
291.19543	90.7
292.19882	9.5
309.07608	2.7
309.20837	3.4
338.49640	2.3
347.22256	11.3
349.23907	2.7
365.23239	60.4
366.23520	5.4
367.24307	4.8
375.12885	2.1
375.69370	2.3
375.85965	2.5
437.69449	2.4
463.26859	10.1
466.21301	3.1
477.28821	2.9
481.28067	12.1
483.30783	2.3
495.29050	3.0
539.33350	3.7
548.25397	3.9
556.37579	3.4
557.34680	47.5
574.34729	3.9
575.35730	100.0
576.35870	6.1
739.18323	2.7
772.39557	61.0
773.40369	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	772.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85158	1.1
55.01865	2.2
55.05516	5.3
56.47807	1.1
57.03433	5.7
61.02918	3.5
65.03919	1.1
67.05496	2.4
68.99768	1.2
69.03092	1.4
69.03435	19.6
69.07077	8.6
70.06579	2.4
70.13282	4.2
71.04976	3.3
72.08183	1.3
73.02917	13.9
79.05486	3.3
81.03432	7.9
81.07064	9.9
83.04969	1.5
83.08612	4.4
85.02907	36.6
85.06503	1.6
87.00819	9.3
87.04474	1.2
91.05474	3.6
93.07044	9.2
95.04959	1.5
95.08613	23.1
97.02895	21.9
97.10145	2.8
99.04458	4.5
99.08109	6.2
102.39114	1.1
105.01866	22.4
105.07024	5.9
107.08600	24.8
109.02885	11.9
109.10160	6.9
111.04412	1.5
111.08060	3.6
115.03907	4.4
119.07784	0.9
119.08562	3.7
121.10139	39.2
123.04470	2.5
123.11718	3.3
125.02232	1.1
125.09568	2.4
127.03922	24.2
128.04315	1.1
133.04948	2.6
133.10126	4.6
134.10449	1.3
135.11696	9.6
137.13257	4.2
138.05490	1.1
139.03874	1.6
145.04962	11.3
149.13240	3.3
151.03743	1.1
159.02875	3.5
159.11749	1.1
162.36476	1.2
163.06035	1.1
175.14827	7.8
176.15166	3.2
177.16393	100.0
178.16803	1.4
187.14839	1.5
195.17456	21.0
213.03880	2.8
213.16463	1.7
213.18480	27.9
223.05931	2.2
231.04990	9.1
241.07022	1.7
249.06056	8.9
259.07971	1.6
267.09106	1.2
273.06088	2.9
285.00287	1.0
317.06583	6.6
318.06851	4.9
323.07495	1.1
345.08136	1.5
363.09088	2.8
389.19431	1.7
393.10596	1.1
407.20615	2.6
425.21442	2.0
577.99060	1.1
772.34808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70966	0.6
55.01869	1.8
55.05514	11.6
57.03441	4.4
57.07077	1.1
61.02930	14.9
61.89124	0.6
65.03942	1.4
67.05508	24.1
69.03429	8.2
69.07070	9.8
71.01358	1.1
71.04984	1.9
71.08636	0.6
73.02922	7.8
77.02748	0.6
79.05070	1.1
79.05500	14.6
81.03418	5.3
81.06592	1.2
81.07059	18.9
83.04965	1.3
83.08634	4.6
85.02912	14.0
85.06538	1.0
91.03954	6.0
91.05494	12.7
92.68878	0.6
93.07048	16.7
94.56137	0.6
95.04993	1.7
95.08617	17.1
96.96864	0.7
97.02897	11.8
97.06553	1.9
97.10171	2.2
98.21555	1.3
99.04475	1.5
101.02380	2.0
103.05450	0.9
103.24265	0.6
105.07044	14.4
107.04951	0.8
107.08599	9.7
109.02868	1.6
109.06515	0.8
109.10162	7.5
111.08078	0.9
115.03905	1.4
115.05428	1.1
117.07024	7.8
119.08593	11.9
121.10146	8.1
123.11721	2.0
125.09654	1.2
127.03918	2.7
128.06238	2.4
129.05554	0.8
129.07019	9.3
130.07800	1.1
131.08580	11.6
133.10136	9.3
135.08047	1.1
135.11684	4.0
137.09602	1.1
141.06990	4.7
142.07819	3.7
143.08566	12.1
145.04996	1.1
145.10144	12.1
147.11703	5.2
149.09630	0.8
149.13211	1.7
153.07001	1.0
154.07748	1.3
155.08545	9.2
156.09293	1.9
157.10129	12.0
159.11708	8.5
160.73863	0.8
161.13310	2.5
163.14830	0.9
165.07060	1.1
166.07881	0.9
167.08592	5.3
168.09352	2.0
169.10133	11.5
171.11694	11.2
173.13303	5.2
175.14891	1.5
179.08607	2.2
181.10133	5.2
182.10846	1.0
183.11700	10.9
184.07356	0.8
185.13283	8.6
187.14867	3.1
189.16438	1.6
193.10213	2.3
195.11694	7.2
196.12489	1.1
197.13275	9.0
199.14853	5.5
201.16377	1.7
205.10205	1.2
207.11725	3.5
209.13290	6.8
211.14836	5.5
213.16473	3.6
219.11774	1.2
221.13268	3.0
222.13968	0.9
223.14847	4.7
225.16394	4.0
227.17984	2.1
233.13264	0.9
235.14819	2.0
237.16432	3.3
239.17986	2.2
247.14711	1.1
249.16379	1.9
251.18124	1.8
253.19670	1.4
257.19092	0.9
263.17960	1.6
265.19672	1.8
267.21213	1.1
270.22745	0.7
279.21249	0.7
281.22711	0.8
297.21997	1.3
309.22064	0.9
323.23788	0.9
335.23584	1.3
337.25620	0.9
339.23175	1.2
341.24796	1.1
351.22937	1.0
351.26776	1.4
365.28497	1.0
377.28052	0.8
403.29385	0.9
409.31259	0.7
433.23904	0.7
447.32004	1.3
449.34131	0.7
455.31277	0.8
465.33505	0.9
475.34869	1.0
515.38251	0.7
517.40668	5.8
535.41473	2.9
539.37079	1.1
540.38074	0.9
541.38776	1.3
553.38556	0.8
591.44153	6.0
607.43005	1.9
609.45160	100.0
610.45435	6.9
611.46741	1.2
621.45264	1.8
633.46313	1.0
651.45905	0.7
735.48627	1.0
753.49188	2.5
771.50598	21.3
772.50690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.4
55.15904	2.5
57.03442	15.3
57.07081	38.0
59.05003	6.6
60.08167	4.1
61.02925	3.5
67.05508	48.0
69.07064	10.6
71.08630	24.8
71.49798	2.5
71.50224	3.9
79.05492	24.3
81.07057	44.8
83.08628	13.5
85.02889	3.6
85.10181	9.8
86.09714	23.0
89.06014	4.8
90.23319	2.4
91.05487	12.7
93.07037	21.5
95.08613	43.7
97.06500	3.4
97.10141	4.5
98.20812	2.8
98.98455	3.0
104.10754	3.6
105.07021	7.4
107.08588	12.4
109.10136	16.6
117.07063	3.4
117.09148	3.3
119.08559	8.1
121.10164	15.3
123.11713	7.2
124.99993	17.2
131.08563	7.3
133.10182	3.4
134.96121	2.4
135.11702	6.2
137.13313	3.0
145.10141	4.8
147.11737	5.2
149.13248	5.4
157.98962	2.3
159.11685	4.7
161.13246	4.2
163.14879	3.1
184.07344	77.2
187.14886	2.6
193.80966	2.7
243.21088	7.6
261.22217	25.3
274.87479	3.0
313.27368	100.0
314.27817	2.7
317.24783	7.2
328.89679	2.6
335.25784	83.7
403.07138	3.1
466.52170	2.8
573.48743	38.1
591.50208	3.0
770.53400	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	770.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
56.05032	0.7
57.07098	0.2
58.06606	0.4
58.69790	0.2
59.07378	0.2
60.08170	5.6
60.08481	0.3
66.61497	0.2
67.05511	0.3
67.35000	0.2
69.07072	0.3
71.07378	3.8
72.00430	0.2
81.07038	0.3
82.36066	0.2
86.09711	32.2
87.10051	0.2
95.89575	0.2
98.98476	3.9
104.10746	3.0
125.00012	21.0
133.10114	0.2
184.07352	100.0
185.07744	0.4
195.66589	0.2
362.32626	0.2
496.33646	0.2
516.90564	0.2
629.47272	0.2
770.53357	6.1
771.53436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	13.1
55.05515	27.1
55.29782	2.0
57.03451	14.7
57.07084	2.0
61.02913	2.4
61.53283	1.9
64.99205	2.1
65.03928	3.5
66.16454	1.7
67.05505	80.9
69.03418	6.8
69.06716	3.4
69.07064	27.0
71.04987	9.4
77.03923	2.9
79.05492	100.0
81.03424	17.3
81.07057	87.5
81.07535	4.2
83.04980	19.4
83.08621	16.1
84.08117	2.4
85.02912	3.9
85.06516	4.7
91.05483	83.9
92.05789	2.4
93.07044	95.7
95.04967	24.3
95.08606	47.0
97.02898	4.3
97.06534	16.8
97.10165	5.4
99.04482	1.9
99.08148	2.4
103.05442	2.6
105.04549	4.9
105.07030	69.5
107.04958	15.0
107.08591	38.6
109.02908	3.4
109.06535	11.0
109.07137	2.5
109.10140	19.8
111.08075	6.8
115.05504	2.6
117.07018	21.9
119.08577	39.1
121.06524	9.1
121.10154	14.6
123.04433	2.4
123.08065	6.9
123.43892	1.9
125.09615	2.7
127.03876	2.8
128.06206	4.6
129.06998	17.7
130.08632	4.8
131.08571	15.5
133.06491	2.4
133.10126	37.9
135.08046	3.9
135.11707	18.2
143.08548	15.4
145.10133	24.9
147.08023	2.5
147.11691	38.4
149.09618	14.3
149.13239	7.2
151.11162	2.6
157.10103	5.3
159.11710	13.9
161.09605	5.6
161.13255	14.4
163.11180	22.8
169.10130	4.5
171.11673	26.3
173.11665	2.1
173.13330	2.8
175.11172	2.6
177.12717	4.9
179.14314	2.9
183.11809	2.8
184.07355	3.3
189.12735	11.8
195.13809	4.2
207.13820	30.4
227.12782	16.9
233.43645	1.9
239.17851	4.3
253.14336	14.9
255.15897	5.8
257.19092	10.3
267.15927	2.7
269.17493	15.0
273.18430	5.8
275.20074	34.0
281.17480	80.0
283.15521	9.2
291.19739	4.8
293.21185	4.8
347.21982	3.1
349.23639	18.8
365.23212	5.5
435.27451	3.6
440.02872	2.3
451.26785	4.3
461.29013	29.6
475.30548	99.5
476.30695	4.7
479.26419	6.5
515.33575	2.5
555.36951	38.6
556.36829	2.3
559.35785	2.0
573.33807	17.6
619.34442	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	770.46
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.8
55.05514	6.5
57.03428	1.2
57.07083	1.0
62.06088	0.7
65.03918	0.9
67.05506	13.7
69.03431	0.7
69.07066	5.3
70.06586	1.0
70.51755	0.4
71.05000	0.8
77.03899	0.5
79.05493	15.1
81.03397	0.4
81.07059	31.5
83.04975	3.0
83.08612	2.2
83.32192	0.4
85.06514	0.4
88.11089	0.3
91.05485	8.5
93.06489	0.8
93.07045	13.2
93.77352	0.3
95.04958	1.2
95.08611	13.3
97.06528	1.5
97.10166	0.6
105.04512	0.6
105.07030	5.8
107.08594	8.4
109.06516	10.3
109.10158	4.0
111.04444	16.3
111.08050	2.0
116.07112	0.6
117.07027	1.9
119.08583	6.4
121.10148	7.9
123.08052	2.6
123.11732	2.0
125.00063	0.5
125.05998	5.6
129.07022	0.6
131.08588	3.3
133.10127	6.1
135.08078	3.2
135.11694	6.1
136.07730	0.4
137.05980	100.0
137.13269	2.1
138.06326	0.9
139.07460	0.5
142.07854	0.4
143.08549	1.1
145.10133	2.8
147.08040	2.2
147.11688	8.0
149.09634	4.0
149.13179	1.9
151.07533	2.5
151.11240	1.5
157.10126	1.6
159.11711	1.4
161.09618	6.6
161.13272	3.2
163.11185	2.7
163.14836	1.6
165.09154	2.6
165.12723	0.7
167.10687	0.8
171.11694	1.4
173.13342	0.7
175.11160	4.6
175.14871	1.6
177.09097	0.6
177.12834	1.0
177.16325	0.5
179.10695	2.2
181.12228	0.6
184.07326	0.7
189.12779	1.6
193.12244	1.4
203.17952	6.8
205.19542	0.7
213.16322	2.3
221.18993	2.1
223.14848	0.7
231.17442	8.7
241.16016	0.7
248.20187	0.6
249.18521	6.0
261.22067	1.0
276.19604	1.0
277.17987	55.9
278.18369	1.5
295.19019	6.4
304.26340	1.1
317.24854	0.5
320.22208	5.2
335.25812	14.6
336.26276	0.6
351.21667	9.6
458.27014	0.5
474.22592	0.5
476.27615	0.8
566.49347	0.5
611.43048	73.5
612.43292	4.6
629.44073	10.9
630.44690	0.5
734.43842	1.0
752.44989	1.8
770.45251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
55.05517	18.5
57.03443	11.7
67.05196	2.0
67.05514	27.3
69.03415	5.4
69.07072	8.6
71.04971	5.2
79.05080	2.4
79.05504	30.0
79.05943	1.4
81.03421	58.9
81.07066	25.7
82.65150	1.6
83.04987	8.2
83.08624	24.2
85.02913	4.1
85.06529	2.3
86.09695	3.5
91.05490	25.5
93.07050	21.2
95.04397	2.3
95.04977	30.4
95.08607	16.4
97.02862	4.5
97.06521	4.0
97.10165	19.3
105.07030	16.2
107.04960	17.3
107.08591	14.2
109.02893	2.8
109.06491	13.6
109.10144	9.3
109.21909	1.9
111.08080	6.2
115.05426	3.0
117.06987	6.5
119.04945	2.1
119.08576	15.3
121.06473	9.8
121.10155	8.2
123.04414	2.8
123.08082	5.0
125.09637	17.4
126.82066	1.5
127.00924	1.8
127.11134	2.2
129.07034	10.4
131.04959	2.3
131.08563	15.3
131.41972	1.5
133.06493	5.7
133.10117	7.2
135.08035	7.0
135.11644	3.5
139.11124	2.4
141.07033	2.1
143.08524	5.1
145.06462	7.7
145.10071	6.0
145.11151	1.8
147.04416	3.5
147.08035	5.6
147.11688	9.4
149.09608	7.9
153.09117	2.8
155.08536	2.9
156.78668	2.0
157.10114	7.9
159.08070	2.1
159.11722	3.4
161.09605	3.7
163.11189	5.2
169.10129	2.9
171.08008	3.0
171.10228	2.2
171.11650	2.1
173.13332	2.2
175.11174	10.9
181.10124	2.0
184.07361	3.7
185.13316	1.8
187.11053	2.2
189.09529	1.9
189.11201	7.9
189.12711	2.1
191.14381	2.2
193.12271	17.1
197.13052	3.0
199.13112	2.6
201.14877	5.2
205.12233	3.9
211.13226	3.7
213.12813	2.4
215.14374	2.7
219.13809	3.0
227.12776	4.8
233.15350	4.4
234.38333	1.9
244.81120	2.1
249.14922	2.6
255.13748	2.1
259.15485	2.5
267.15924	43.9
273.14874	5.9
349.21497	4.3
357.24359	3.4
367.22696	18.2
385.23746	27.9
386.24100	2.1
403.24942	8.0
411.27344	6.9
441.26440	10.0
459.27435	100.0
460.27505	6.8
477.28491	86.2
478.28696	2.9
491.30124	11.8
501.28192	2.3
509.30789	6.7
619.48163	1.9
621.32825	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	770.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05513	17.0
57.03440	9.3
57.07072	2.9
57.34919	1.0
57.44156	0.9
57.55533	0.9
59.05003	1.2
61.02903	1.4
61.94081	1.0
67.05505	21.5
69.03416	4.1
69.07069	7.6
70.06577	2.4
71.04995	5.8
71.24871	1.1
71.25200	1.6
73.02932	1.6
77.06544	0.9
78.96188	0.9
79.05496	24.0
81.03419	61.7
81.07066	21.2
83.04979	5.9
83.08150	1.7
83.08610	18.6
84.08142	2.7
85.02895	3.4
85.06525	1.7
91.05483	20.9
93.07042	16.8
95.04974	24.5
95.08596	12.2
97.02878	2.8
97.06516	3.8
97.10172	15.5
99.04438	1.3
103.05479	1.2
105.04498	1.3
105.07031	17.7
106.19655	1.1
107.04961	14.1
107.08590	15.0
109.02852	1.1
109.06526	9.7
109.10157	7.6
111.04425	2.5
111.08088	6.3
117.07016	8.0
119.04942	1.1
119.08577	13.8
121.06500	10.7
121.10161	10.8
123.04411	2.4
123.08023	5.2
123.11685	2.3
125.09628	14.7
127.03922	1.4
128.06213	1.1
129.07021	10.8
130.08646	2.3
131.04912	2.0
131.08583	13.5
133.06499	6.2
133.10133	8.1
135.08044	5.9
135.11702	2.7
137.09613	1.7
139.11115	1.7
141.06975	1.9
142.07776	1.9
143.08592	2.1
145.06461	4.8
145.10132	4.9
147.04422	2.4
147.08061	5.3
147.11708	10.1
149.05902	1.5
149.09660	5.8
153.09076	3.2
155.08549	2.2
157.06522	2.0
157.10110	7.5
157.14650	1.1
159.08052	2.3
159.11728	3.0
161.06046	1.2
161.09656	2.1
163.11172	3.7
165.12695	1.8
167.08594	1.3
167.10680	1.6
169.10127	1.9
171.08076	1.0
171.11676	2.3
173.09644	2.7
173.13089	1.2
175.07735	0.9
175.11185	8.1
177.12752	1.4
185.09627	1.1
187.11180	1.5
189.11208	8.3
189.12692	1.9
191.14362	1.4
193.12236	20.1
195.11662	1.7
197.13203	1.7
199.11211	2.2
201.12727	1.1
201.14861	2.5
205.12213	1.8
211.13211	7.7
213.12721	2.0
215.10649	1.2
215.14369	2.5
217.12215	1.5
219.13788	3.7
223.11169	1.2
223.13210	1.4
227.12732	2.8
231.13802	1.4
233.15363	3.5
237.12663	2.0
237.14848	2.2
249.14879	2.3
249.17232	1.0
255.13673	1.3
259.13300	1.6
267.15915	46.6
271.16925	1.0
273.14813	7.5
285.16907	4.0
291.16101	1.4
293.17429	1.4
301.14380	1.3
331.20709	1.3
339.23322	2.8
349.21573	5.2
357.24161	2.2
367.22672	15.3
385.23727	22.2
403.19894	1.7
403.24698	9.5
411.27310	4.1
423.25314	1.4
429.21182	2.9
441.26376	8.1
459.27429	100.0
460.27835	4.1
477.28497	88.1
478.28632	3.2
491.30038	14.0
501.28323	2.3
509.31308	7.1
567.29614	2.1
585.30353	4.8
603.31268	2.6
615.94244	1.2
621.32397	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	770.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.5
55.05274	2.1
55.05515	29.1
57.03443	12.0
61.02895	2.1
65.03936	4.6
65.93340	1.8
67.05508	76.5
68.05833	1.9
69.03419	8.5
69.07075	24.4
71.04993	8.5
71.49018	1.6
73.02914	2.2
79.05495	79.8
81.03423	15.7
81.07059	83.4
83.04982	14.3
83.08614	14.2
85.02896	3.2
85.06525	7.1
85.42927	1.6
86.09682	1.9
91.05483	78.1
93.07047	100.0
95.04971	21.1
95.08607	54.5
97.02884	6.9
97.06520	14.2
97.10162	5.7
99.04456	6.7
103.05463	4.0
105.04507	2.6
105.07033	65.0
107.04959	18.0
107.07884	3.2
107.08591	58.5
109.02862	3.5
109.06516	12.4
109.10160	40.3
111.04412	4.3
111.08083	5.8
115.05427	3.7
117.07023	21.6
119.07805	3.2
119.08580	36.5
121.06507	13.5
121.10117	19.5
123.08046	6.2
123.11687	5.5
125.05959	3.0
125.09612	3.9
127.07539	1.9
128.06168	6.0
129.07030	11.8
131.08563	17.8
133.06485	4.6
133.10133	60.0
135.08049	6.6
135.11696	49.3
137.09598	2.8
139.07545	2.0
139.51901	1.8
143.08553	9.5
145.06503	1.8
145.10120	40.1
147.08051	4.3
147.11694	17.6
149.09605	10.5
149.13260	5.1
151.11182	19.4
157.10146	3.5
159.08110	1.7
159.11676	6.9
161.09680	8.1
161.13260	7.2
163.09871	3.6
163.11186	56.8
165.12724	2.4
169.10081	2.2
169.12213	3.3
171.11700	14.2
173.13266	4.8
175.11124	3.1
177.09123	2.8
177.12776	3.3
179.14273	2.0
181.12187	9.5
183.11705	2.6
184.07372	4.7
189.12753	3.9
195.13689	1.8
197.13228	1.9
207.13797	11.5
208.14075	2.0
213.16359	2.0
215.12767	1.8
227.10542	3.7
227.12790	71.3
227.17752	2.3
228.13010	2.1
239.18024	2.3
245.19086	2.1
251.12793	2.0
253.14355	82.9
254.14503	2.3
255.15720	2.4
257.18961	5.2
263.19974	2.8
269.17545	5.0
273.18515	26.2
275.20059	17.5
281.17499	35.2
283.15405	49.8
291.19559	27.5
309.20447	3.1
347.22205	12.3
349.23737	8.7
365.23184	30.2
419.76865	1.8
435.27539	3.8
461.29031	13.1
475.30591	51.7
479.26422	34.7
515.33484	2.7
555.36029	12.9
573.34180	64.6
574.34076	2.8
619.34937	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	768.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	3.5
55.05514	29.6
57.03438	16.8
57.07077	11.6
59.04992	4.6
60.72385	1.9
61.02929	3.5
65.03938	3.4
67.05508	68.4
69.07069	38.4
69.18393	5.6
69.18807	12.7
71.08622	6.7
79.05026	2.3
79.05496	40.3
81.07060	66.5
83.08622	25.6
85.02904	2.9
85.06549	2.4
85.10175	1.9
86.09713	8.9
91.05485	16.5
91.60105	2.1
93.07042	41.7
95.08611	49.9
97.06540	5.8
97.10176	13.2
98.21143	9.5
99.08141	2.5
99.23974	1.8
105.07024	9.3
107.08593	28.2
109.10156	27.4
111.08094	3.4
111.11697	4.6
117.07025	3.8
119.08591	10.3
121.10143	29.9
123.11713	11.0
125.00006	5.8
125.09573	2.0
129.05058	1.8
131.08594	8.9
133.10098	9.4
135.11699	18.8
137.13252	5.7
144.80711	2.0
145.10149	7.6
147.11699	7.6
149.13254	8.7
159.11769	4.6
161.13278	5.9
163.14830	3.8
165.16379	1.9
173.13313	6.9
175.14883	2.2
177.16455	2.2
184.07314	28.3
187.14861	3.2
195.00389	4.1
201.16487	1.9
208.54768	1.7
219.21149	2.9
222.35432	1.7
233.22687	1.8
237.22145	5.0
243.21074	8.8
261.22134	36.1
311.25821	100.0
312.26321	2.4
317.24677	8.2
335.25815	88.7
337.27386	3.1
397.56369	2.0
497.43329	2.3
571.47241	43.2
572.46442	2.0
589.48041	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	768.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.9
55.05511	25.0
55.45214	1.4
57.03439	6.8
61.02905	1.4
62.05049	1.5
65.03928	6.5
67.05505	83.3
69.03419	4.6
69.07066	19.9
70.56210	4.1
71.04980	4.5
72.88480	1.5
73.02927	1.4
75.37930	1.3
77.03901	2.1
79.05492	100.0
81.03419	12.2
81.07056	87.6
81.07455	0.9
82.03725	1.4
83.04980	19.8
83.08624	9.3
85.02882	2.5
85.06548	6.9
87.04472	1.6
91.05482	95.4
91.20160	1.4
93.07042	81.6
95.04970	22.5
95.08605	35.9
97.02884	2.9
97.06517	7.3
97.10161	4.4
99.04442	2.0
103.05477	1.8
105.04523	4.1
105.07030	74.3
107.04964	16.0
107.08595	43.0
109.06516	11.4
109.10158	42.2
111.08075	4.8
115.05449	2.4
117.07019	13.6
119.08577	31.4
121.06512	10.9
121.10133	11.0
123.08069	9.3
123.11687	9.7
125.05984	1.5
127.07576	2.5
128.06200	4.2
129.07027	16.1
131.04962	1.7
131.08566	16.6
133.06459	6.2
133.10132	61.8
135.08043	10.8
135.11671	7.8
137.09601	4.2
139.07500	2.1
141.06949	1.7
143.08563	13.4
145.10109	16.7
147.08055	7.7
147.11685	32.9
149.09612	8.5
149.13261	1.6
151.11166	26.0
157.10114	4.0
159.08020	2.3
159.11697	4.4
161.09636	11.1
161.13254	10.9
163.11201	2.8
169.10071	2.3
169.12216	4.5
171.11684	25.0
175.11180	3.8
177.09155	3.5
177.12718	1.5
179.10652	1.4
185.13322	1.8
189.12730	12.0
207.13803	30.4
215.12772	3.3
225.14861	2.5
227.17961	2.6
245.19011	5.0
251.12733	4.3
253.14346	92.4
254.14536	2.7
255.17448	4.0
263.20093	3.9
273.18472	39.5
275.20032	2.3
281.17465	62.5
282.17737	2.0
291.19556	42.1
291.22910	2.2
309.20599	3.8
329.21307	1.8
346.60110	1.6
347.22205	15.6
365.23218	36.1
451.16193	1.5
452.10931	1.5
475.26752	4.8
477.28448	32.8
502.10641	1.6
512.02631	1.6
529.01123	1.5
543.36530	3.4
553.35217	15.8
567.57251	1.8
571.36298	84.0
572.36499	6.7
594.44421	1.7
680.51636	2.1
768.44531	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	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.7
55.05510	27.2
56.66043	1.8
57.03443	10.1
57.07069	3.9
59.05000	2.4
61.02911	2.3
61.82264	1.7
65.03930	4.5
65.91907	1.8
67.05507	95.4
69.03426	8.1
69.07067	22.2
71.04971	6.2
77.03958	1.7
79.05495	87.6
80.05803	1.6
81.03411	14.6
81.07058	87.4
83.04983	23.7
83.08617	10.6
85.02888	3.1
85.06564	11.6
91.05483	100.0
93.07046	86.9
93.07643	4.0
95.04969	23.6
95.08611	38.2
97.06528	8.5
97.10159	4.7
99.04432	3.3
99.08092	2.3
103.05465	3.4
105.04517	3.1
105.07035	89.3
107.04994	13.1
107.08594	51.0
109.06511	15.5
109.10157	54.0
111.04427	2.1
111.08070	4.0
113.06018	3.3
115.05461	3.3
117.07014	19.9
119.04916	2.0
119.08588	31.1
121.06516	10.9
121.10133	12.9
123.04420	3.2
123.08088	10.2
123.11721	11.0
125.09622	2.1
127.07536	4.5
128.06218	4.1
129.07005	18.7
130.07784	1.9
131.08582	15.4
133.06502	8.7
133.10132	74.6
135.08032	12.0
135.11726	8.2
137.09573	2.6
139.07610	2.1
141.06989	2.9
143.08562	11.7
144.56656	1.7
145.10124	15.7
147.08008	7.3
147.11681	29.2
149.09605	9.8
149.13181	1.9
151.11195	30.1
157.10143	5.7
159.08040	2.4
159.11684	5.9
161.09608	12.0
161.13231	9.4
163.11169	3.1
165.09155	1.6
169.12245	5.0
171.11670	18.7
175.11256	3.9
177.09106	4.8
177.12633	2.9
179.10626	2.3
179.14320	1.8
183.11626	2.7
184.07310	3.9
185.13297	2.4
189.12758	12.2
207.13840	19.7
215.12587	2.8
227.17848	2.2
245.18944	6.1
251.12773	6.3
253.14337	72.6
254.14841	1.9
255.17499	5.1
263.20044	4.8
273.18521	41.9
281.17480	61.4
282.17557	2.1
291.19534	48.2
309.20593	3.8
329.20840	2.2
347.22226	15.5
364.51529	1.7
365.23242	23.0
388.30002	1.9
475.26825	4.1
477.28482	49.7
477.41785	1.7
478.28943	2.5
553.35205	13.4
571.36316	75.0
572.36743	3.2
587.58820	2.1
768.46613	2.8
787.76923	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	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
55.05270	1.4
55.05513	18.9
57.03443	5.1
61.02905	1.0
61.09839	0.8
65.03934	3.0
67.05506	36.9
69.03431	5.2
69.07070	20.8
69.21995	1.8
69.22385	8.8
71.04996	1.5
73.06542	0.9
79.05495	46.9
81.03421	5.3
81.07056	34.3
83.04990	10.0
83.08625	7.8
85.02867	1.3
91.05485	35.2
93.07047	41.0
93.07643	2.0
95.04975	11.5
95.08604	17.1
97.02902	5.8
97.06521	4.9
97.10169	7.7
98.20780	1.7
103.05473	1.7
104.33672	0.9
105.03407	1.0
105.04539	1.9
105.06329	1.4
105.07041	25.6
107.04964	7.3
107.08588	12.6
109.06504	3.8
109.10162	7.3
111.08065	1.6
115.05419	1.8
117.07006	8.9
119.04912	1.1
119.08589	20.1
121.06504	2.5
121.10142	3.7
123.08060	5.2
125.09657	5.2
127.07544	1.5
128.06252	1.5
129.07010	11.3
130.07776	1.1
130.98466	0.9
131.08549	5.6
133.06468	3.5
133.10146	7.6
134.07268	1.4
135.08040	3.3
135.11659	2.6
137.09572	1.9
143.08540	8.6
145.10117	8.3
147.07986	4.6
147.11700	15.7
149.09642	1.5
149.13179	1.0
155.08499	1.6
157.10170	2.2
159.11716	2.8
161.09622	4.2
161.13249	5.7
163.11244	1.2
165.09138	2.0
171.11681	15.0
175.11214	2.1
177.12743	0.8
179.14349	1.1
189.11169	2.8
189.12761	4.5
207.13806	13.1
223.13278	12.0
225.14833	1.2
227.12778	4.1
249.14819	2.7
255.17398	1.5
267.15720	1.6
273.18558	11.9
275.20203	1.4
281.17487	45.2
286.61505	1.1
289.39606	0.9
291.19550	76.4
292.20087	1.1
306.56033	1.0
347.21982	2.2
354.24426	0.9
365.23257	25.7
414.75153	1.1
447.10004	0.9
451.26889	1.2
473.28922	2.6
477.28015	1.0
491.30402	1.6
553.35004	3.8
571.36304	100.0
572.36584	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	768.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
55.05512	17.0
57.03437	3.3
63.35946	1.7
64.22859	1.4
67.05503	18.5
69.03430	2.9
69.07067	4.0
70.06570	1.5
71.48955	1.8
71.73540	1.5
73.02914	1.7
79.05495	17.3
81.03404	3.4
81.07060	14.3
83.04968	4.0
83.08625	9.9
86.09731	1.9
91.05473	13.1
93.07048	17.7
93.82717	1.8
95.04953	2.8
95.08612	11.3
97.06533	2.7
97.10165	23.1
99.04483	1.9
103.05417	1.7
105.07021	6.6
107.04941	3.4
107.08591	17.4
109.10153	3.8
111.08080	1.8
117.07027	11.0
119.08574	11.7
121.06516	3.1
121.10167	6.9
125.09630	21.7
131.08592	2.4
133.10147	2.6
135.08075	4.9
135.11679	15.4
143.08572	2.7
143.10638	1.8
145.06474	8.9
145.10114	10.8
153.09108	2.3
159.08086	2.6
163.11168	17.5
171.10188	2.5
181.12183	3.3
189.11232	12.8
227.12776	100.0
228.13063	2.6
271.16928	15.6
273.18494	2.0
283.15350	11.8
289.17975	4.5
345.20645	3.2
363.21570	6.1
396.71597	1.5
453.24768	31.5
500.74365	1.5
514.45068	1.8
553.31598	10.9
571.32605	14.0
768.42236	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	766.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05510	9.8
57.03441	7.8
57.07079	26.3
57.55257	0.8
67.05180	1.4
67.05508	17.9
69.03429	5.4
69.07069	8.4
69.82079	1.8
69.82489	2.8
71.04994	2.7
71.08632	19.6
79.05502	9.1
81.03419	47.6
81.06593	1.3
81.07062	20.6
83.04985	10.1
83.08620	19.3
85.02906	9.3
85.06544	1.2
85.10182	10.7
86.09734	1.1
91.05476	11.9
93.07045	8.1
93.32317	0.9
95.04970	12.8
95.08614	17.6
97.02901	6.4
97.06528	2.4
97.10182	5.0
98.20739	1.3
99.04441	1.4
99.08107	1.3
103.07556	1.2
105.07028	10.1
107.04945	3.2
107.08599	5.0
109.02880	3.4
109.06548	2.1
109.10168	7.8
111.04440	3.0
111.08085	5.0
111.11707	0.8
113.06039	0.9
114.80374	0.7
117.07009	1.5
119.08598	8.1
121.06514	1.7
121.10147	5.4
123.11723	2.9
125.09660	1.2
127.03931	2.4
129.05493	2.4
129.06978	5.0
131.08592	4.8
133.06474	1.9
133.10155	3.9
137.09596	1.2
142.39053	0.7
145.10133	1.4
147.08015	1.8
147.11699	7.6
149.09633	3.9
153.12759	1.2
157.10135	6.8
163.11214	2.3
165.12773	1.8
175.11172	7.7
181.12276	1.0
184.07320	6.8
191.10713	1.2
193.12256	23.3
211.13287	26.9
227.12740	1.9
229.14326	1.8
239.23701	1.3
249.15007	0.9
267.15927	18.7
276.86456	0.8
283.15210	0.9
285.17007	9.1
313.27380	43.4
314.27692	1.3
318.27853	0.8
327.28976	2.6
355.17374	3.1
393.19006	1.2
396.28299	0.9
429.21204	16.4
479.33185	0.9
505.38922	13.6
519.40442	2.2
523.39978	100.0
524.40222	4.1
569.41888	2.2
667.44385	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	766.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63658	1.9
55.05499	7.2
55.77903	1.7
57.03439	14.2
57.07080	29.7
65.17020	1.7
67.05509	19.5
69.06734	1.9
69.07062	10.3
71.04993	1.9
71.08633	28.6
71.50548	3.0
71.58372	2.0
72.08966	1.9
79.05482	11.1
81.03419	60.6
81.07050	21.1
83.04967	3.7
83.08626	21.3
85.06554	2.6
85.10181	16.2
86.09694	2.2
88.29708	1.9
90.46441	1.8
91.05489	10.8
93.07051	5.4
95.04978	20.7
95.08609	19.8
97.10175	7.4
105.07043	9.0
107.04952	4.4
107.08582	5.9
109.06499	3.1
109.10161	11.7
111.04475	2.3
111.08065	6.0
116.91808	1.8
119.08594	8.3
121.10162	3.7
123.04464	3.4
123.08067	2.0
123.11729	4.1
129.06992	5.8
131.08554	8.3
133.06499	3.4
133.10132	3.6
140.97998	2.0
141.01973	2.0
145.10110	3.8
147.08046	4.9
147.11673	5.9
149.09547	2.7
157.10146	7.1
163.11211	1.8
175.11223	6.6
184.07356	8.6
193.12218	25.7
204.34238	1.7
205.93381	2.7
207.64235	2.0
235.13414	4.6
239.23723	3.4
257.24686	2.6
259.13321	2.0
267.15915	100.0
268.16537	2.3
313.27356	98.5
314.27640	3.1
379.20529	2.1
443.19040	3.3
504.02094	2.2
505.38907	65.5
506.39041	8.6
539.28760	2.7
547.39685	5.4
625.44196	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	766.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.8
55.05511	39.0
57.03439	3.2
64.32155	1.9
65.03915	3.7
67.05180	2.8
67.05503	33.6
69.03416	6.1
69.07050	6.2
70.06568	3.1
71.04984	2.0
71.49664	1.9
76.03790	1.7
78.01773	1.7
79.05495	51.1
81.03402	3.7
81.07055	27.2
83.04967	6.2
83.08623	16.5
84.74030	1.6
86.09706	3.5
91.05478	39.4
93.06496	2.7
93.07048	38.6
95.04956	7.4
95.08614	9.8
97.06532	3.3
97.10168	39.2
105.07035	19.4
107.04929	4.1
107.08601	21.8
109.06515	5.7
109.10139	5.4
115.05474	3.8
117.07022	17.9
119.08588	26.1
121.06471	2.0
121.10075	2.1
123.08028	2.7
125.09635	41.5
128.06181	2.2
129.06998	7.7
130.06592	1.7
131.08557	3.5
133.10132	5.9
135.08026	7.3
143.08588	9.2
145.06496	19.4
145.10112	5.8
147.08022	3.1
147.11685	19.7
153.09079	2.2
155.08638	1.7
157.10086	3.7
158.86885	2.0
159.08052	4.7
161.09691	1.7
161.13304	3.7
171.10251	3.8
171.11702	12.5
189.11206	17.5
189.12791	5.6
202.26439	1.6
207.13788	18.3
227.12781	100.0
243.17410	3.8
271.16916	46.3
281.17456	14.9
289.18063	6.6
345.20520	7.3
363.21509	4.7
413.71344	2.0
433.26291	3.0
451.26889	60.8
551.33740	25.5
569.34711	18.9
766.39508	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	766.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50848	0.9
64.09151	0.9
65.03932	3.8
67.05499	1.5
69.03432	1.3
70.06578	3.5
71.04977	1.3
71.55926	0.9
72.08150	1.7
81.03419	1.8
81.07063	0.9
84.04470	1.7
84.08128	2.6
85.02888	1.8
86.09695	2.9
89.06032	2.1
91.05468	2.4
93.03386	2.4
95.04958	1.1
95.08569	1.0
97.02892	1.7
98.98479	1.4
105.07039	1.3
107.04953	1.1
107.08660	1.0
109.02876	1.3
110.03659	3.6
111.04430	3.1
119.04953	2.3
120.08096	2.1
121.02863	3.3
121.06496	1.0
123.04450	2.1
125.05991	4.7
127.03925	2.2
129.10248	1.8
131.04893	0.9
133.02837	1.9
136.07507	1.3
137.06013	5.1
145.06496	1.1
147.04425	3.1
149.02357	0.9
149.05945	1.6
151.03963	1.1
151.07549	1.8
153.05437	11.1
159.08049	1.1
161.09506	1.1
163.07506	1.3
165.05528	2.0
167.07074	2.8
175.07590	2.0
181.04904	1.8
189.09045	2.4
195.08099	1.5
207.06508	0.9
210.14783	1.0
211.07593	1.2
219.10129	1.5
223.07440	1.6
225.09158	1.8
230.13887	1.7
237.08954	1.5
238.06181	1.5
238.09848	1.9
239.07043	1.3
240.07793	3.2
241.08456	1.3
249.08958	2.5
251.06937	2.1
253.08571	9.7
253.12192	3.0
254.09363	1.3
255.10199	2.5
257.07840	1.2
265.08386	1.0
266.09381	1.3
267.10101	2.0
268.07077	1.2
269.08078	1.9
277.08624	1.8
281.08173	2.0
281.11697	3.0
282.08926	2.2
283.09647	4.0
285.07816	1.3
285.11078	2.1
295.09680	2.5
296.10583	1.4
298.11890	2.1
299.12839	4.6
309.11221	2.9
310.12057	2.3
313.10645	7.4
313.14319	2.7
327.12323	14.0
328.13110	1.5
329.13571	2.1
331.15280	2.2
339.12119	1.2
341.14044	2.4
359.14905	100.0
360.15204	3.5
361.16446	1.9
371.14865	7.9
389.15802	4.1
584.17804	0.9
703.47168	1.5
766.48120	1.1
792.31085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
55.89788	0.8
57.03432	1.1
57.96681	0.8
61.02921	3.5
62.90936	0.7
67.05505	6.5
69.03427	2.9
69.07072	1.1
70.06590	1.1
70.23863	1.9
70.24284	1.5
71.04993	3.6
71.12378	0.7
73.02921	3.6
79.05496	3.7
81.03397	0.9
81.07065	4.3
81.56284	0.8
83.08661	0.9
83.28056	0.9
85.87417	0.8
86.09719	2.0
91.03971	1.4
91.05470	4.1
93.07030	4.9
95.08607	3.0
97.02894	5.8
97.06588	1.1
99.04440	1.6
101.02369	1.8
105.07057	4.0
107.08603	3.2
109.02937	0.9
109.10125	3.7
117.07042	1.8
119.08615	3.9
121.10177	2.6
127.03940	1.4
133.10193	1.5
135.11697	1.8
137.09634	1.9
145.10168	1.0
159.11800	0.8
159.40950	0.8
177.71494	0.8
179.53928	0.7
184.07388	1.0
243.08514	3.1
253.14168	1.5
373.59995	0.9
471.22006	9.3
535.28705	5.2
629.26294	0.9
765.43939	100.0
766.44342	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	765.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05520	1.6
57.03440	1.9
57.46414	0.5
61.02930	6.1
67.05508	5.7
69.03432	4.7
69.07061	1.4
69.77988	2.2
71.01365	0.6
71.04969	0.6
73.02917	4.3
79.05506	4.9
81.03416	2.5
81.07055	5.2
83.04993	0.7
83.08649	1.3
91.03951	3.5
91.05474	2.7
93.07043	4.3
95.04960	1.0
95.08601	4.2
95.42377	0.5
97.02887	4.9
99.04490	1.2
101.02412	1.4
105.07047	1.7
107.08625	1.7
108.08180	0.4
109.02905	0.8
109.10163	1.1
115.03917	0.5
117.07034	0.7
119.08586	1.3
121.10142	3.8
123.08099	0.5
123.11673	0.5
125.09595	0.6
127.03949	2.1
129.06975	0.5
131.08614	1.5
133.10168	1.4
135.11780	0.6
139.11215	0.6
143.67531	0.4
147.11700	1.0
149.09633	0.9
157.10179	0.5
184.07362	0.5
185.04234	0.9
193.12347	0.5
208.30122	0.5
243.08466	2.5
251.12558	0.7
269.13641	1.8
335.25751	0.9
409.36066	0.5
440.43420	0.5
443.19025	3.3
469.20499	1.6
487.21466	3.9
519.29352	8.2
721.41437	1.5
747.43060	2.7
765.43976	100.0
766.44318	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	764.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.2
57.03436	16.6
57.07092	8.2
59.04996	10.9
66.09167	5.8
67.05508	100.0
69.07058	26.7
71.50916	10.2
79.05501	67.5
81.07053	84.2
83.08610	15.1
86.09731	33.3
91.05493	42.0
91.06000	8.9
93.07044	88.1
95.08610	84.7
105.07040	27.5
107.08598	45.0
109.10159	45.4
113.64722	6.7
119.08582	30.6
121.10152	43.5
123.11695	8.3
125.00029	22.5
131.08571	22.6
133.10101	20.4
135.11690	25.8
141.66972	7.0
145.10139	17.0
147.11693	26.5
149.13234	16.8
151.07503	12.8
159.11703	15.3
161.13181	7.8
173.13194	10.8
175.14890	9.1
180.82149	6.5
184.07376	91.1
215.17897	16.3
233.19154	11.6
259.20718	13.0
261.22141	11.0
307.22684	80.3
307.51001	7.3
335.25763	85.4
337.27182	12.1
440.51636	7.5
519.67932	7.5
567.44086	19.4
585.45160	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	764.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.2
55.05504	7.4
57.03443	14.2
57.06844	2.7
57.07080	31.2
58.56819	1.6
59.05004	9.1
65.83405	1.7
67.05504	55.0
69.03423	3.2
69.07083	9.7
71.04982	2.8
71.08630	26.5
71.49824	2.8
79.05493	9.8
81.03418	9.2
81.06662	2.0
81.07056	24.0
83.04970	2.9
83.08617	11.1
85.02896	7.5
85.10188	12.4
86.66393	1.6
89.06007	4.3
91.05482	8.3
93.07039	10.3
95.04958	5.0
95.08611	23.9
97.06567	1.7
97.10134	2.7
105.07030	5.2
107.04951	7.9
107.08566	6.0
109.06501	6.4
109.10155	51.1
116.04459	1.8
117.06992	5.7
119.08562	6.4
121.06503	5.0
121.10135	4.0
121.30830	1.7
123.11660	2.0
131.08554	3.1
133.10092	3.1
137.09662	2.4
145.10115	4.7
155.10553	2.5
161.09634	1.8
165.53517	1.5
169.10173	2.0
173.11760	11.2
175.55736	1.6
184.07324	5.9
187.11159	4.1
205.12137	3.4
223.13287	9.9
223.83905	1.7
229.14357	75.1
237.14729	2.4
239.23718	1.8
257.24686	3.6
266.88562	1.7
279.15848	3.3
297.16971	29.7
313.27350	100.0
314.27905	1.9
391.11649	1.9
435.41916	1.7
467.37320	46.8
517.39374	2.6
533.03094	2.0
535.40125	20.4
745.20294	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	764.507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.05034	0.7
57.03431	0.2
57.06875	0.1
57.07085	1.6
58.06606	0.3
59.05017	0.3
60.08167	5.9
67.05511	1.8
69.07074	0.9
70.06605	0.3
71.07372	3.3
71.08640	1.5
73.06532	0.2
79.05508	0.9
81.03423	0.6
81.07063	1.4
83.08633	0.8
85.10184	0.8
86.09709	29.2
87.04472	0.2
91.05471	0.5
93.07045	0.7
95.04981	0.4
95.08620	1.1
97.10162	0.4
98.98467	3.0
104.10760	1.7
105.07012	0.3
107.08617	0.6
109.10164	0.9
112.14781	0.2
117.09157	0.2
119.08566	0.5
121.10085	0.2
125.00010	20.0
131.08565	0.4
133.08652	0.2
133.10107	0.2
135.11732	0.2
144.59088	0.2
147.11584	0.2
184.07346	100.0
185.07707	0.8
193.12294	0.2
239.23668	0.2
267.15952	0.4
275.20053	0.4
276.05978	0.2
282.27783	0.2
313.27280	0.5
319.66046	0.2
339.28830	0.4
467.37518	1.3
507.40442	1.2
522.35358	0.2
531.40271	0.3
587.46796	1.8
605.48065	1.0
623.43781	0.2
714.35327	0.3
714.47021	5.4
715.46661	0.5
764.44446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.05030	0.8
57.07075	0.8
58.06607	0.3
58.50553	0.2
59.05009	0.2
60.08165	6.0
67.05515	1.1
69.07067	0.5
71.07372	3.1
71.08620	0.6
71.50081	0.3
77.61455	0.2
79.05485	0.6
81.03414	0.7
81.07058	1.5
83.08627	0.6
85.10172	0.2
86.09706	28.9
87.10023	0.3
91.05470	0.5
93.07052	0.7
95.04961	0.4
95.08614	1.1
97.06559	0.2
97.10154	0.3
98.98464	3.5
104.10742	1.8
105.07041	0.5
107.08594	0.3
109.10183	0.3
119.08568	0.5
120.81812	0.2
121.10146	0.3
125.00005	19.5
131.08557	0.4
133.10115	0.3
134.12006	0.2
149.09645	0.3
184.07341	100.0
185.07658	0.8
194.63208	0.2
258.00735	0.2
267.15869	0.8
275.20044	0.5
311.25644	0.3
313.27322	0.5
339.28824	0.2
349.23679	0.3
496.25317	0.2
507.40643	1.8
531.40161	0.3
587.46423	1.1
605.47052	0.7
607.90253	0.2
623.61377	0.2
630.41321	0.5
641.64136	0.2
694.39661	0.2
714.47003	5.5
715.46521	0.3
764.40186	1.9
765.40460	0.3
797.21881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05506	5.0
56.05019	1.1
57.03443	2.1
61.02918	4.5
65.03928	1.7
67.05505	15.4
67.77117	0.6
68.05037	8.2
69.03436	2.9
69.07055	4.2
69.14013	5.3
69.14433	2.3
70.06592	25.4
71.01360	0.7
71.04987	1.5
72.08167	4.6
73.02924	3.1
78.97993	0.7
79.05497	16.9
80.05021	2.7
80.06319	0.8
81.03416	4.6
81.07059	13.0
82.06601	0.8
83.04994	3.0
83.08617	1.8
84.08144	3.2
85.02892	3.6
86.09708	3.2
91.03951	1.4
91.05479	14.0
93.05814	1.6
93.07047	10.6
94.06577	2.7
95.04977	3.0
95.08608	8.0
96.08141	1.7
97.02885	3.8
97.06564	1.5
98.21558	1.6
100.07609	5.1
101.02370	1.2
101.06042	0.7
105.04555	0.9
105.07038	8.8
106.06543	4.2
107.04958	1.7
107.07361	0.9
107.08587	6.1
108.08111	3.6
109.02882	0.6
109.06517	1.2
109.10162	1.8
112.66134	0.7
114.05529	13.5
114.06288	0.9
115.05466	1.2
116.07104	0.8
117.07036	4.2
118.06565	2.0
119.07366	1.6
119.08565	4.9
120.08121	9.7
121.06488	1.5
121.09045	0.6
121.10166	2.0
122.09701	2.5
123.08058	1.0
124.07587	0.7
126.09241	1.0
127.03959	1.4
128.06224	1.7
128.07114	6.2
129.07016	2.8
129.10202	1.2
131.08575	3.5
132.08144	2.1
133.08789	1.7
133.10158	2.3
134.09648	15.1
135.08139	0.7
135.10458	3.3
135.11639	1.0
136.07628	0.9
136.11223	2.1
138.09247	0.8
140.07059	1.2
143.08554	2.4
145.10190	2.9
146.09682	2.5
147.10635	0.7
147.11719	2.5
148.11206	8.4
148.12123	0.8
149.09671	1.1
150.12733	1.0
152.07132	1.3
154.08638	4.0
159.11734	0.8
160.11229	1.4
161.13264	1.7
163.11259	1.1
164.07071	8.6
165.13045	0.9
166.08699	1.4
171.11710	2.3
173.13275	0.9
176.75960	0.9
177.07899	1.9
178.08650	5.9
179.09427	1.6
180.10193	19.2
184.07373	1.6
192.10146	1.2
193.11064	0.8
194.08202	3.1
194.11836	2.2
204.10202	1.1
206.11815	1.9
230.19189	1.7
232.20740	0.8
242.58418	0.7
258.18582	4.5
260.20288	1.0
274.18115	1.5
276.19589	14.6
278.21255	2.5
281.17593	1.1
302.17599	6.3
304.19073	39.0
305.19626	1.2
320.18887	1.9
322.20160	15.5
332.22266	1.1
334.23773	5.4
350.23541	1.5
356.60251	0.7
378.22797	4.3
396.23785	13.5
396.28607	0.9
540.36774	2.6
556.36829	1.2
558.29187	0.9
558.37689	0.9
584.35919	5.3
602.36877	82.7
603.37170	4.1
764.42157	100.0
765.42596	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	763.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01860	0.7
55.05510	1.3
56.46457	0.6
57.03433	1.7
57.07075	1.0
60.08165	2.3
61.02934	6.5
67.05511	6.8
69.03432	4.1
69.07065	1.5
71.04971	0.6
71.07382	1.0
71.49925	0.9
73.02931	5.0
78.38625	0.8
79.05497	5.4
81.03426	2.6
81.07061	5.7
83.04983	0.9
83.08630	1.4
85.02905	6.3
86.09711	10.9
87.10041	1.4
91.03954	2.8
91.05494	2.5
93.07047	4.9
95.04960	0.7
95.08621	4.6
97.02885	4.9
98.98470	1.2
99.04443	0.9
101.02380	1.7
105.07037	1.8
107.08607	2.3
109.10179	1.4
117.07014	0.7
119.08611	1.6
121.10141	2.3
125.00016	6.6
127.03945	1.0
131.08582	1.1
133.10147	1.3
135.11716	1.8
145.10135	1.1
149.09769	0.5
163.11224	0.6
181.12288	0.6
184.07355	28.3
185.04265	0.7
185.07661	5.0
189.80946	0.7
203.05276	0.6
203.07123	0.7
243.08498	1.7
250.52136	0.7
267.12149	4.2
325.07156	0.6
372.32019	0.6
425.95456	0.7
441.17609	1.2
485.19662	3.7
519.29413	6.1
530.39044	0.7
594.11426	0.7
713.46130	1.4
719.40735	0.7
745.41565	2.4
763.42151	100.0
764.42346	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	763.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01863	0.6
55.05517	1.6
57.03436	1.9
57.07070	0.5
61.02924	6.1
66.92698	0.3
67.05505	7.5
69.03432	3.7
69.07059	1.2
69.63170	1.6
71.01347	0.7
71.04994	2.3
71.08624	0.8
73.02919	3.9
79.05492	3.8
81.03427	2.6
81.07057	6.9
83.08629	1.2
85.02903	6.0
85.10208	0.4
87.04478	0.6
89.05995	0.3
91.03956	4.1
91.05473	2.6
93.07050	4.6
93.93658	0.3
95.04977	0.5
95.08598	3.6
97.02898	5.4
97.06542	0.6
97.10143	0.6
99.04469	1.2
101.02386	1.8
105.07039	1.8
107.08609	2.2
109.02891	0.9
109.06519	0.4
109.10144	1.6
115.03947	0.5
117.07002	0.8
119.08610	0.9
121.10144	2.1
123.11703	1.1
127.03926	1.7
131.08542	0.8
133.10132	1.7
135.11707	0.9
145.05008	0.5
145.10226	0.4
147.11691	0.6
149.13281	0.8
151.11189	0.5
159.11693	0.8
169.16891	0.4
173.04453	0.8
173.13402	0.5
183.13887	0.4
184.07385	0.6
185.04149	0.7
186.72894	0.3
203.05325	0.5
227.20105	0.6
243.08392	1.9
257.17609	0.4
267.13382	0.3
267.15683	1.7
289.99927	0.3
291.29031	0.4
335.26013	0.9
391.79129	0.4
441.21393	0.5
453.21240	0.4
485.23538	4.5
519.29272	8.4
601.43890	0.4
673.28455	0.3
756.56067	0.4
763.45996	100.0
764.46497	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	763.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01860	0.7
55.05510	1.3
56.46457	0.6
57.03433	1.7
57.07075	1.0
60.08165	2.3
61.02934	6.5
67.05511	6.8
69.03432	4.1
69.07065	1.5
71.04971	0.6
71.07382	1.0
71.49925	0.9
73.02931	5.0
78.38625	0.8
79.05497	5.4
81.03426	2.6
81.07061	5.7
83.04983	0.9
83.08630	1.4
85.02905	6.3
86.09711	10.9
87.10041	1.4
91.03954	2.8
91.05494	2.5
93.07047	4.9
95.04960	0.7
95.08621	4.6
97.02885	4.9
98.98470	1.2
99.04443	0.9
101.02380	1.7
105.07037	1.8
107.08607	2.3
109.10179	1.4
117.07014	0.7
119.08611	1.6
121.10141	2.3
125.00016	6.6
127.03945	1.0
131.08582	1.1
133.10147	1.3
135.11716	1.8
145.10135	1.1
149.09769	0.5
163.11224	0.6
181.12288	0.6
184.07355	28.3
185.04265	0.7
185.07661	5.0
189.80946	0.7
203.05276	0.6
203.07123	0.7
243.08498	1.7
250.52136	0.7
267.12149	4.2
325.07156	0.6
372.32019	0.6
425.95456	0.7
441.17609	1.2
485.19662	3.7
519.29413	6.1
530.39044	0.7
594.11426	0.7
713.46130	1.4
719.40735	0.7
745.41565	2.4
763.42151	100.0
764.42346	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	763.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
57.07076	1.0
60.08157	1.1
71.08638	0.9
71.49506	0.7
81.03412	1.1
81.07069	0.9
86.09717	2.1
87.04456	0.8
89.06067	0.8
93.07069	0.8
105.97038	0.6
107.08498	0.7
125.00042	1.4
180.83911	0.9
181.45766	0.7
184.07358	8.1
185.07643	0.8
307.12411	0.7
352.37119	0.8
386.59561	0.6
535.26727	1.0
763.40210	100.0
764.40240	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	763.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.05505	1.5
57.03431	1.9
61.02921	3.6
67.05507	3.6
69.03432	2.8
69.07062	1.6
70.06581	0.7
71.01373	0.6
71.04974	0.5
71.50066	0.4
72.08158	0.5
73.02917	3.7
79.05503	3.2
81.03418	2.8
81.07059	4.8
83.04992	0.5
83.08623	1.6
85.02910	4.8
86.09705	1.3
89.06026	0.8
91.03957	2.2
91.05495	2.8
93.07045	3.8
95.04988	1.2
95.08617	2.1
97.02886	4.2
97.10210	0.6
101.02384	2.0
105.07040	2.9
107.04909	0.6
107.08578	2.2
109.02873	0.7
109.06535	0.6
109.10196	0.8
111.08145	0.5
112.19106	0.5
113.06041	0.4
117.07003	0.8
119.08620	1.3
121.10155	1.6
127.03921	1.5
131.08565	1.2
133.10165	1.2
135.11758	0.7
145.10130	0.8
147.11749	1.1
149.09683	0.8
149.13251	0.7
151.11247	0.5
178.05580	0.6
184.07356	1.1
193.12262	1.4
211.13307	0.5
243.08437	2.7
251.12601	1.3
301.09036	1.2
318.00961	0.5
333.20450	0.8
453.20963	4.1
469.20438	7.5
535.28888	2.2
541.22687	0.7
551.28516	1.5
575.12305	0.5
635.72931	0.5
636.27771	0.5
665.35181	0.6
763.42273	100.0
764.42389	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	763.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
57.07076	1.0
60.08157	1.1
71.08638	0.9
71.49506	0.7
81.03412	1.1
81.07069	0.9
86.09717	2.1
87.04456	0.8
89.06067	0.8
93.07069	0.8
105.97038	0.6
107.08498	0.7
125.00042	1.4
180.83911	0.9
181.45766	0.7
184.07358	8.1
185.07643	0.8
307.12411	0.7
352.37119	0.8
386.59561	0.6
535.26727	1.0
763.40210	100.0
764.40240	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	762.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
57.07077	56.3
59.05006	13.0
67.05170	0.5
67.05512	1.9
69.07066	1.1
69.84461	2.4
71.08634	49.4
72.08969	0.6
73.02932	1.2
73.06561	4.2
79.05500	1.5
81.03409	0.9
81.07073	1.3
83.08627	1.8
85.10184	47.1
86.09708	0.9
87.04474	18.4
89.06033	100.0
90.06360	0.7
91.05487	0.7
91.07611	1.3
93.07043	1.6
95.08604	0.9
97.10152	1.0
99.11729	4.5
103.07579	6.2
113.06006	0.9
117.09130	4.1
130.08636	1.3
131.07039	7.2
133.08606	74.3
134.08974	0.9
135.10147	1.1
141.16360	2.8
149.27142	0.6
161.11734	2.0
175.09677	5.4
177.11229	28.4
184.07373	3.3
194.90697	0.5
199.20602	4.3
219.12402	1.1
221.13876	5.2
223.15347	1.1
233.31810	0.5
239.14670	0.6
243.23204	4.0
265.16388	1.5
283.17484	0.9
287.25436	0.7
309.19092	1.3
327.20364	0.9
328.46677	0.6
330.37674	0.5
353.21683	0.6
382.82153	0.6
397.24359	0.8
405.39438	0.6
441.27463	0.8
442.90259	0.7
503.30429	1.2
547.32965	3.9
587.36420	0.8
663.96906	0.6
745.53204	0.8
762.40295	2.2
762.55341	2.2
763.40259	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	762.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27595	0.1
55.05499	0.3
56.05030	0.6
58.06630	0.5
60.08165	6.0
60.87490	0.2
65.07736	0.1
67.05502	0.7
70.09885	0.6
71.07379	3.5
71.08648	0.2
79.05484	0.4
81.03419	0.6
81.07053	0.5
83.08617	0.3
86.09707	28.6
87.10020	0.4
89.06021	0.2
91.05483	0.3
91.39672	0.2
91.75394	0.1
93.07023	0.3
95.08610	0.6
98.21426	0.2
98.98465	3.3
104.10746	1.9
105.07006	0.1
109.10175	0.3
119.08583	0.3
121.10175	0.2
123.11764	0.2
125.00008	18.6
133.10101	0.1
143.01099	0.2
157.10098	0.2
184.07343	100.0
185.07678	0.8
265.30566	0.2
267.15948	0.7
270.98804	0.1
327.53812	0.2
337.27200	0.6
352.32434	0.1
360.62292	0.2
422.37579	0.1
428.96115	0.2
520.33948	0.3
529.38428	0.4
547.39752	0.3
674.83789	0.2
712.45416	5.2
713.45020	0.5
762.39618	0.2
763.40649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
53.77096	0.5
55.01862	4.9
55.05510	4.9
55.24213	0.5
57.07077	11.9
59.04982	0.7
67.05179	0.8
67.05506	9.4
69.76865	2.8
71.04974	0.5
71.08633	7.9
77.03957	0.5
79.05499	5.0
81.07058	27.6
83.04975	2.8
83.08611	4.4
85.06552	0.7
85.10192	4.7
91.05476	2.6
93.07051	4.9
95.04968	0.5
95.08615	11.7
97.06526	1.1
97.10168	1.2
98.20853	1.0
98.98468	0.7
105.07016	3.6
107.08601	4.7
109.06520	10.1
109.10154	6.4
111.04444	16.5
111.08066	1.3
119.08578	3.8
121.10149	3.9
123.08070	1.9
123.11708	2.8
125.00041	0.7
125.05984	4.8
131.08560	1.8
133.10150	4.8
135.08064	3.3
135.11678	4.4
137.05981	100.0
137.13242	3.2
138.06342	0.9
139.07492	1.0
143.08559	1.5
145.10107	2.0
147.08041	1.8
147.11694	7.4
149.09607	3.6
149.13277	2.5
151.07530	3.6
151.11189	1.2
153.09172	0.6
157.10120	2.3
159.11671	0.9
160.38350	0.5
161.09622	7.9
161.13257	2.9
163.11198	3.6
163.14816	1.0
165.09113	2.6
165.12737	1.0
167.10667	0.7
171.11674	1.3
173.13271	0.6
173.78264	0.6
175.11163	7.0
175.14839	1.7
177.12726	1.0
179.10631	2.4
181.12222	1.0
184.07272	2.5
185.13225	0.5
189.12729	1.2
191.10657	1.2
193.12195	1.2
203.17973	8.3
205.19521	0.8
213.16420	3.6
221.19058	2.2
223.14934	0.6
231.17467	10.1
239.23839	0.6
241.15874	1.5
249.18542	7.1
276.19574	0.9
277.17993	43.1
278.18411	0.8
282.28006	3.1
295.19040	7.8
309.20508	0.9
313.27371	2.9
320.22177	6.8
351.21768	1.9
414.95096	0.6
436.28232	0.7
468.65836	0.6
589.44647	69.7
590.44922	3.8
621.47260	56.9
622.47809	4.1
730.46240	2.1
762.48096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
57.03431	2.1
57.07078	4.0
58.07428	0.5
59.04999	1.7
61.02926	7.4
64.31599	0.5
67.05505	5.0
69.03439	2.9
69.07074	1.2
71.05009	1.1
71.08638	2.4
73.02930	4.2
79.05495	4.1
81.03419	2.6
81.07057	5.4
83.08630	1.0
85.02898	5.5
85.10178	2.2
87.04476	1.2
89.06045	5.5
91.03960	3.9
91.05493	3.5
93.07043	5.1
95.04990	0.7
95.08606	4.0
97.02888	4.1
97.06592	0.7
99.04482	0.5
101.02385	2.0
103.03934	0.6
105.07030	2.8
107.08606	1.9
109.02911	1.1
109.10197	1.6
119.08602	2.2
121.10138	3.9
125.00024	0.5
126.17026	0.5
127.03943	1.4
129.07036	0.7
131.08594	2.3
133.08618	2.6
133.10126	2.5
135.11729	0.7
145.10229	0.7
147.11707	2.8
149.09628	2.4
153.26392	0.5
157.10100	1.0
165.12776	0.6
170.81415	0.5
175.11276	1.1
177.11201	1.2
184.07339	1.1
185.04265	1.1
233.11453	0.7
243.08467	2.3
267.15979	0.8
335.25955	1.1
364.90607	0.5
396.33640	0.7
409.18326	0.6
438.98239	0.5
445.50775	0.5
451.19598	0.9
483.22104	5.2
519.29291	7.9
719.17230	0.6
761.44440	100.0
762.44775	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01860	0.6
55.05512	2.4
57.03429	1.5
59.07157	0.3
60.08161	1.0
61.02931	4.5
64.91991	0.3
65.03969	0.4
67.05505	4.8
68.96992	0.3
69.03439	3.2
69.07072	1.2
71.01362	0.5
71.04983	0.5
71.50361	0.6
73.02922	4.1
79.05500	4.7
81.03414	2.5
81.07052	5.6
82.07400	0.3
83.04977	0.7
83.08609	1.5
85.02911	5.1
86.09705	2.3
87.04468	0.8
91.03957	2.5
91.05485	3.8
91.34129	0.3
93.07044	4.4
95.04985	0.6
95.08617	3.7
97.02895	3.9
97.06555	0.6
97.10165	0.6
99.00829	1.0
99.04462	0.6
101.02386	1.5
103.03952	0.4
105.07032	2.5
107.04943	0.6
107.08596	2.5
108.08942	0.6
109.02911	1.8
109.06467	0.4
109.10170	1.6
115.03936	0.5
117.07025	0.7
119.08613	1.9
121.06503	0.5
121.10152	1.5
123.11742	0.6
125.00033	1.4
127.03921	1.7
129.09325	0.4
131.08604	1.1
133.10136	3.6
134.10497	0.5
135.07985	0.4
135.11699	1.0
137.09703	0.4
140.16293	0.4
140.62170	0.4
143.08652	0.5
144.36896	0.3
145.10123	0.8
147.11700	0.5
151.11214	0.9
159.11694	0.5
161.09689	1.6
162.40741	0.4
179.10736	0.9
181.12206	0.4
184.07336	9.8
185.04289	1.0
186.50592	0.4
189.09111	0.8
207.10196	0.5
208.98106	0.4
225.11246	0.6
243.08371	0.8
265.10297	0.7
267.16040	0.5
283.10315	0.7
285.34097	0.4
301.11258	0.5
321.13239	0.5
335.25861	1.3
336.26089	0.6
483.18170	7.3
519.29370	4.1
599.35791	0.6
761.40771	100.0
762.41248	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01865	0.7
55.05510	1.5
57.03429	1.4
58.18099	0.3
61.02932	3.7
67.05505	3.7
68.34987	0.3
69.03432	2.3
69.07059	1.6
71.04980	0.9
73.02917	2.2
79.05497	3.9
81.03426	1.1
81.07056	3.6
82.88426	0.4
83.04952	0.6
83.08622	0.8
85.02910	2.8
86.09708	1.5
87.04475	0.4
89.06033	1.0
91.03960	2.1
91.05480	2.5
93.07049	4.8
93.29926	0.3
95.04956	0.8
95.08620	2.9
97.02897	3.0
97.06519	0.4
98.21543	0.8
99.04434	0.5
101.02394	1.0
105.07037	3.0
107.08599	2.0
109.02912	0.4
109.10172	0.9
117.07038	1.1
119.08615	1.9
121.10165	1.6
123.04405	0.5
123.08099	0.4
124.35162	0.4
125.00044	1.1
127.03939	1.2
131.08588	1.1
133.10149	1.9
133.15788	0.4
135.11681	2.3
143.08575	0.6
145.10143	1.9
147.11697	1.1
149.13210	0.5
159.11646	0.5
163.11186	1.7
173.13274	0.5
181.12318	0.5
184.07332	4.8
185.04231	0.7
201.03941	0.4
227.12825	1.4
243.08473	2.6
249.10976	8.8
249.13396	0.6
251.12784	0.4
259.08173	0.3
289.14233	0.7
301.08939	0.9
305.13690	0.7
315.10602	0.8
347.14807	0.6
371.16864	0.5
373.10690	0.4
393.15335	0.5
443.18753	0.5
465.20990	0.6
467.18848	6.0
468.19226	0.5
469.20718	1.1
498.11169	0.4
533.27087	0.6
535.28857	7.8
536.28503	0.4
539.21289	1.4
546.38184	0.4
573.88983	0.4
623.30487	0.7
761.40802	100.0
762.41022	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	761.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05515	1.7
55.05750	0.4
57.03439	2.1
58.87185	0.3
60.08159	0.9
61.02930	5.2
65.03935	0.5
67.05504	6.0
69.03431	3.6
69.07068	1.5
70.94526	0.8
71.01383	0.5
71.04992	0.7
73.02922	3.4
75.17140	0.3
79.05498	3.9
81.03413	2.0
81.07060	6.2
82.07355	0.5
83.08626	1.1
85.02908	5.3
86.09698	3.8
87.04470	0.7
89.06064	0.4
91.03954	2.5
91.05466	2.8
93.07047	4.5
95.04964	0.6
95.08610	4.1
97.02882	4.5
97.06525	0.4
97.10207	0.4
99.04478	1.1
101.02395	1.8
103.03950	0.6
105.07040	2.2
107.04981	0.5
107.08582	2.1
109.02888	1.5
109.10170	2.0
115.03951	0.5
117.07033	0.8
119.08591	1.6
119.49818	0.4
121.10162	1.6
123.11670	0.6
125.00015	3.1
127.03939	1.3
131.08589	0.8
133.10115	1.8
135.11710	0.9
145.05014	0.6
145.10165	0.6
147.11687	0.5
149.13297	0.5
159.11743	0.4
161.09613	0.6
171.08073	0.4
184.07347	11.2
185.04291	0.5
204.19083	0.3
213.18558	1.2
214.18829	0.4
243.08498	1.0
261.22012	0.5
265.10419	0.9
283.10239	0.7
335.25812	1.1
336.26126	0.6
406.40570	0.4
466.57455	0.4
483.18384	3.7
497.31827	0.4
519.29279	8.3
584.43280	0.4
599.35461	0.7
761.40784	100.0
762.41071	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	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01858	0.6
55.05524	0.9
55.91685	0.4
56.57908	0.4
57.03429	1.8
58.76556	0.5
59.04995	1.5
61.02921	3.7
65.03912	0.5
67.05505	2.6
69.03426	2.9
69.07070	0.8
70.06580	1.2
70.54993	0.6
70.55343	1.0
71.01355	0.4
71.04985	1.8
73.02913	2.0
79.05490	2.8
81.03420	5.9
81.07053	3.6
83.04990	0.7
83.08608	1.0
84.04501	0.5
84.08144	0.4
85.02894	3.9
85.06529	0.6
86.09683	0.8
87.04491	1.0
91.03967	2.4
91.05465	4.6
93.07008	2.6
95.04961	2.1
95.08614	2.0
97.02900	3.6
97.06509	0.5
99.04498	0.7
101.02380	1.9
105.07018	2.3
107.04937	0.6
107.08581	1.6
109.02901	1.1
109.06564	0.8
109.10167	0.6
111.08070	0.9
119.04967	1.0
119.08565	2.2
121.10143	2.8
123.04361	0.5
127.03957	1.5
129.06998	1.4
131.08572	1.6
133.10133	1.6
135.60768	0.6
137.09618	0.6
147.04492	0.9
147.08084	0.5
147.11641	2.2
149.09612	2.9
153.79938	0.5
157.10146	1.7
163.03822	0.7
168.60681	0.4
175.03871	1.1
175.11113	0.8
184.07294	0.5
193.12274	2.5
197.15485	0.7
206.18149	0.5
207.06596	1.2
211.13263	0.6
225.14937	0.7
236.43031	0.4
238.29253	0.4
243.08406	2.9
267.16061	1.6
283.06537	0.6
283.15210	5.2
339.17841	1.7
443.19101	0.6
469.20566	1.3
501.23065	24.2
502.23328	1.1
515.24554	0.6
526.67828	0.5
534.98401	0.4
729.35803	0.6
761.39246	100.0
762.39575	5.0
776.05707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.7
53.03966	0.7
54.60419	0.5
55.05508	3.0
57.03442	1.4
57.07077	100.0
58.07408	0.7
59.05002	30.2
66.86090	0.5
67.05492	2.7
69.07078	2.0
70.38771	0.6
71.08633	67.3
71.50340	0.5
73.02921	0.7
73.06567	0.9
79.05498	1.2
81.07051	2.2
83.08630	2.6
85.10184	58.6
85.37898	0.5
86.09710	2.1
86.10513	0.7
87.04473	6.2
89.06033	42.4
90.01929	0.7
91.05487	0.9
93.07047	1.5
95.08607	1.2
97.10177	3.2
97.99810	0.5
99.08118	0.6
99.11731	11.0
101.06019	0.6
101.09645	2.0
103.07616	0.7
107.07102	0.7
107.08559	0.7
109.10175	0.6
111.11701	0.5
113.13275	4.2
115.45649	0.5
117.09130	10.2
125.00016	1.6
131.07040	2.0
133.08606	31.2
140.81012	0.5
147.10164	0.9
155.17947	7.6
175.09656	2.1
177.11238	11.6
184.06032	0.6
184.07359	6.7
185.07571	0.6
213.22134	15.3
219.12140	0.6
221.13786	2.2
235.24980	0.5
271.23398	0.8
271.26324	15.1
272.26578	0.6
283.17343	1.2
285.16782	0.5
292.10825	0.5
309.18924	0.7
327.20129	0.8
371.22601	0.8
415.25406	6.5
455.28201	0.6
473.28992	1.3
494.20773	0.5
505.37119	0.7
619.45654	2.2
760.39807	7.4
760.56152	2.0
761.44281	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	760.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
57.03436	2.2
57.07077	100.0
59.05003	32.7
60.08155	0.9
67.05521	3.8
69.07080	2.9
71.08633	73.3
71.50734	1.1
72.08965	0.8
73.02962	1.0
73.06555	0.9
79.05495	1.9
81.07053	4.2
83.08633	3.3
85.10182	64.7
86.09722	3.6
87.04472	7.7
89.06031	49.5
90.01912	0.8
91.05491	1.2
93.07069	2.5
95.08635	2.3
97.02935	0.9
97.10191	2.5
99.08102	0.9
99.11741	11.4
101.09682	2.7
103.07613	1.3
105.07016	0.9
113.13293	4.0
117.09124	10.9
117.09885	0.8
119.08660	0.7
123.30359	0.7
125.00073	2.8
130.08652	1.0
131.07094	2.3
133.08607	34.3
134.94502	0.8
138.10928	0.7
149.13347	0.9
155.17935	8.2
161.00058	0.8
175.09750	1.5
177.11232	15.3
177.12639	1.0
184.07338	13.8
184.08755	1.0
213.22147	16.1
213.23981	1.1
219.12422	1.0
221.13986	2.8
245.51685	0.7
254.24986	0.8
271.26324	13.9
271.29034	0.9
327.20468	1.3
329.30707	1.0
351.89423	0.8
371.23096	1.1
381.34250	0.8
386.37650	0.7
399.71402	0.9
415.25375	6.0
502.36249	0.8
563.42859	1.0
619.45685	5.7
724.85553	0.8
760.41425	10.7
760.58130	2.2
761.44031	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	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01861	4.1
55.05513	13.8
57.03438	13.1
60.08145	5.2
61.02903	3.7
65.03916	2.4
67.05190	2.6
67.05508	38.1
69.03417	3.2
69.07062	12.9
71.04980	2.1
71.07377	2.2
73.02908	3.2
77.03904	1.3
79.05074	2.7
79.05492	33.5
81.03420	54.1
81.07060	41.9
83.04977	6.4
83.08630	13.6
85.02885	2.9
86.09703	29.2
91.05480	24.6
93.07047	33.1
95.04962	19.4
95.08607	28.8
97.02886	3.2
97.06538	3.7
97.10162	5.3
98.98474	3.7
105.07036	18.5
107.04947	4.2
107.08594	18.2
109.06513	2.3
109.10172	13.1
111.04446	2.0
111.08070	5.7
117.07019	6.1
119.08566	15.1
121.06528	2.1
121.10151	14.4
123.04371	1.6
123.11667	4.6
125.00018	21.1
125.09617	2.2
128.06190	1.9
129.07016	8.0
131.08560	13.7
133.06531	1.7
133.10110	9.5
135.08011	1.3
135.11699	10.2
143.08553	3.2
145.10109	5.5
147.08020	2.7
147.11697	9.8
149.09621	3.7
149.13280	4.2
157.10098	6.0
159.11674	4.5
161.13252	3.2
163.11057	1.5
163.14885	2.5
171.11734	2.3
173.13300	3.4
175.11206	4.4
184.07344	100.0
185.13258	1.5
193.12221	12.9
211.13068	1.9
223.98933	1.5
227.12804	2.7
243.21049	2.3
253.28351	1.4
259.20724	1.4
261.22168	12.3
267.15906	55.8
301.14059	2.3
301.25241	2.3
305.24606	1.6
317.24695	3.3
335.25806	57.4
415.28198	1.7
421.25784	1.8
435.27304	1.6
435.32501	3.4
453.33569	5.0
466.21310	2.0
471.34641	3.1
486.28699	1.7
527.30048	2.5
527.37360	34.2
528.37579	1.6
545.38446	22.4
569.37872	3.1
636.68280	1.8
675.12708	1.8
710.43671	4.5
760.43231	39.8
761.40881	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	759.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01881	2.5
55.05507	8.8
57.03436	4.3
57.07067	4.7
57.25763	1.1
59.05008	1.7
65.03966	2.5
65.49454	1.1
67.05507	23.1
69.03431	7.1
69.07066	9.7
71.50092	1.2
79.05495	22.5
81.03418	8.9
81.07058	31.6
83.04981	4.5
83.08618	6.2
85.02920	1.1
85.06546	2.5
86.09732	1.4
91.05479	28.1
91.06025	2.0
93.07043	33.0
95.01350	2.0
95.04953	9.0
95.08611	31.1
97.06546	4.2
97.10144	2.1
98.98450	1.4
102.58640	1.0
103.05433	1.6
105.04535	1.9
105.07030	34.4
107.04961	4.0
107.08598	30.1
107.09315	2.0
109.02895	1.7
109.06530	6.5
109.07184	0.9
109.10160	15.3
111.04411	1.5
111.08101	2.2
113.02387	1.0
115.05503	2.4
116.06277	1.2
117.07018	9.6
119.04993	1.1
119.08582	46.3
121.06503	6.7
121.10153	22.1
121.11022	1.0
121.31826	0.8
123.04381	1.1
123.08071	19.7
123.11694	6.3
124.91171	1.0
125.06018	3.1
125.09643	1.4
128.06250	3.5
129.06993	10.0
130.07784	1.5
131.08575	23.7
133.06520	4.5
133.10127	37.0
135.08049	7.0
135.11674	18.2
135.12585	1.5
137.06004	1.4
137.09641	7.9
137.13318	1.7
139.11240	1.5
141.07039	2.7
142.07755	6.9
143.08560	14.3
144.09370	2.9
145.06578	2.8
145.10129	30.9
147.04391	1.0
147.08072	13.4
147.11691	13.1
149.09634	9.0
149.13293	2.8
151.07547	39.2
153.07024	1.0
154.07718	1.1
155.08543	6.1
156.09346	5.5
157.10132	20.6
157.11353	1.6
158.10912	2.9
159.08052	6.6
159.11693	19.1
160.12546	1.3
161.09596	4.8
161.13257	7.0
163.11194	8.6
165.07031	1.3
165.09100	22.4
167.08598	2.3
168.09401	1.3
169.10101	9.0
170.10939	3.5
171.08095	1.5
171.11716	11.5
172.12503	1.8
173.09669	2.9
173.13268	11.3
175.07607	1.5
175.11246	3.0
175.14830	19.6
177.04051	1.0
177.09148	5.8
179.08597	2.2
180.09372	1.4
181.10150	5.8
181.12292	5.3
182.10947	2.8
183.11691	8.3
184.07375	6.7
185.09738	2.6
185.13246	9.0
187.11252	3.2
187.14886	4.4
189.09157	1.9
189.12741	6.9
191.10706	1.3
191.14345	2.8
193.10210	3.0
193.12315	3.2
193.16003	3.0
194.10941	1.4
195.11678	5.8
196.12502	1.9
197.09647	2.3
197.13287	9.3
198.13965	1.5
199.11223	1.7
199.14867	4.3
201.12901	1.2
201.16376	6.1
203.14301	10.2
205.15991	1.5
206.10788	1.6
207.11916	2.4
207.13803	12.5
208.12515	1.3
209.09795	1.1
209.11665	2.2
209.13344	4.9
209.15112	1.6
210.14020	1.3
211.11189	2.3
211.14960	4.5
213.12808	1.7
213.16364	1.6
215.14391	1.4
217.15828	1.4
219.11726	1.4
219.17482	4.2
221.13268	4.9
221.15340	52.2
222.15855	1.6
223.14963	1.9
225.12781	2.4
225.16443	2.5
227.12721	1.2
233.15443	2.4
235.14912	2.7
237.16348	2.5
239.78442	1.3
245.13454	2.3
249.16405	1.8
251.18019	1.8
259.20761	1.5
261.22174	2.5
267.15845	11.3
287.20245	2.0
295.11829	1.7
307.11792	1.2
325.25342	2.3
335.25793	11.6
336.26230	1.8
349.25031	1.3
404.30701	1.9
425.30969	1.4
453.33325	1.9
471.35284	1.2
475.23505	3.1
493.37030	4.0
505.37149	1.8
527.37372	4.9
530.35266	1.3
544.37683	2.4
545.38507	3.7
551.27649	1.7
562.38434	2.7
579.32861	1.6
584.42236	1.3
600.49927	1.0
606.33307	1.1
619.32690	1.4
741.43237	7.0
759.44635	100.0
760.44995	9.6
786.13110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01876	3.0
55.05513	9.3
57.03431	1.7
57.07082	6.8
59.05009	1.4
64.15207	1.3
65.03937	2.7
67.05508	24.2
69.03428	5.5
69.07080	9.8
71.04998	3.6
77.03941	1.4
79.05497	21.1
81.03423	2.9
81.07057	31.9
82.07410	2.4
83.05002	6.4
83.08632	4.4
83.86223	1.3
85.02901	2.2
85.06562	3.7
86.09696	2.2
91.05482	30.2
93.07047	43.9
95.01341	3.0
95.04976	11.1
95.08611	34.2
97.02888	1.8
97.06541	4.9
97.10167	1.9
103.05457	2.7
105.07032	46.8
106.07351	1.6
107.04975	4.6
107.08599	37.9
109.02850	1.9
109.06527	8.7
109.10156	22.1
115.05463	2.9
117.07035	13.6
119.04937	1.6
119.08588	62.1
120.08871	3.0
121.06541	5.4
121.09309	2.6
121.10149	26.2
122.07301	1.7
123.04440	1.8
123.08078	21.4
123.11649	6.6
125.00058	1.6
125.05991	4.8
125.09661	2.0
128.06248	5.3
129.07011	9.1
130.07819	3.0
131.08568	31.7
133.06516	5.5
133.10133	48.3
135.08069	10.9
135.11694	19.0
135.12694	1.4
137.06010	2.0
137.09607	7.8
139.11143	1.5
141.07030	3.1
142.07782	8.3
143.08572	20.2
144.09343	4.5
145.06499	1.6
145.10136	34.3
146.10594	2.8
147.08073	16.8
147.11693	16.5
149.05998	2.0
149.09613	8.8
149.13261	2.9
151.07542	45.3
151.11108	1.8
154.07834	1.8
155.08542	7.4
156.09387	10.0
157.10136	24.7
157.11351	2.1
158.10909	3.7
159.08069	7.4
159.11700	25.4
159.12886	2.0
160.12463	1.7
161.06000	1.5
161.09676	4.9
161.13280	7.9
163.07582	1.4
163.11166	8.9
163.14879	2.6
165.05498	1.6
165.07027	3.1
165.09122	23.2
166.07745	1.6
167.08609	4.1
168.09399	3.8
169.10117	15.1
170.10880	3.4
171.08070	3.6
171.11674	15.2
172.08810	1.6
172.12227	2.0
173.09622	5.1
173.13261	13.1
175.11273	5.8
175.14803	19.5
176.50581	1.4
177.09157	4.0
177.12779	2.8
179.08578	4.0
179.14287	1.8
180.09505	2.4
181.10236	6.4
181.12233	8.4
182.10928	4.3
183.08099	2.9
183.11697	11.9
184.07399	5.9
184.12462	2.4
185.07957	1.3
185.09656	3.1
185.13283	9.9
187.11241	3.6
187.14847	7.8
189.09148	3.6
189.12730	7.9
190.13553	3.2
191.10730	1.6
191.14243	2.9
192.09369	2.3
193.10179	4.4
193.12077	1.3
193.15912	2.8
194.10976	3.2
195.08195	2.2
195.11740	8.5
195.13455	1.2
196.12456	3.4
196.19098	1.3
197.09682	2.9
197.13268	10.5
198.13988	2.3
199.11237	2.4
199.14873	4.1
201.09113	1.4
201.12860	2.2
201.16365	10.7
203.14401	7.5
205.15948	2.3
206.10954	1.6
207.11769	5.3
207.13887	15.1
208.12646	2.7
208.14627	3.9
209.09731	2.2
209.13322	8.1
209.15041	2.8
210.13844	2.0
211.11220	4.4
211.14894	5.5
213.12799	2.2
213.16396	2.8
215.10742	1.9
215.14400	2.0
219.11765	1.8
219.17392	6.4
221.13333	4.2
221.15355	45.6
222.10397	1.6
222.13806	2.0
222.15808	2.9
223.11348	2.6
223.14842	4.6
225.16492	3.0
227.14345	1.5
233.13373	2.8
235.14920	3.5
237.12740	1.7
237.16470	4.0
241.19611	2.9
245.13408	1.4
249.16414	1.6
251.18065	3.0
253.19635	3.4
255.21404	1.3
259.14893	1.5
259.20670	4.1
261.16248	1.4
263.18265	1.6
271.20721	3.6
273.16278	1.4
275.20135	3.7
276.20395	1.6
286.19592	1.6
295.11771	1.5
297.22272	1.4
307.11996	3.8
325.25397	3.8
352.24084	1.8
361.21777	1.3
371.15179	1.9
373.16220	1.5
391.17490	3.1
404.31232	1.9
425.30698	1.6
475.23660	1.4
487.23514	3.7
493.36612	2.2
495.19455	1.5
504.34738	4.9
505.36926	4.1
518.36566	1.3
530.35583	8.3
533.28473	1.2
544.36987	1.6
551.26221	7.8
552.14172	1.4
553.28174	1.9
561.38367	1.9
562.38440	8.5
584.42120	5.1
654.35602	1.3
701.38379	1.4
707.22931	1.3
723.43115	2.0
741.43457	8.5
759.44745	100.0
760.45648	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	759.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01871	2.9
55.05509	8.7
57.07076	9.0
59.04988	3.7
65.03930	3.4
67.05502	22.2
69.03428	8.2
69.07058	12.2
70.68858	2.4
70.69169	2.0
71.04984	1.9
77.03886	1.4
79.05495	22.4
81.03445	1.3
81.06589	2.2
81.07055	35.0
82.81142	1.4
83.04960	5.2
83.08607	4.1
85.02884	1.7
85.06529	2.4
86.09705	2.8
88.03386	1.2
91.04898	2.6
91.05476	43.1
91.55779	1.4
93.07039	44.0
95.01335	3.1
95.04959	9.0
95.08606	36.9
97.02873	1.8
97.06535	4.7
103.05453	4.5
105.04551	1.2
105.07027	55.3
107.04922	4.7
107.08591	42.4
109.02900	2.8
109.06535	7.7
109.10155	20.4
111.04398	2.4
111.08083	2.3
115.05463	4.4
116.06219	1.7
117.07016	16.6
119.04920	1.9
119.08580	75.9
121.06503	6.7
121.09327	2.6
121.10138	32.5
122.07277	1.9
123.04337	1.9
123.08073	25.9
123.11705	8.3
124.99985	2.4
125.06026	3.1
125.09608	1.6
128.06227	7.3
129.07022	12.7
130.07768	4.2
131.04890	1.3
131.07594	2.3
131.08565	34.5
132.09332	2.8
133.06508	7.3
133.10123	51.6
135.08055	10.5
135.11688	23.6
137.05972	2.5
137.09599	10.2
139.11160	1.8
141.07014	5.1
142.07770	12.4
143.08565	24.4
144.09348	8.4
145.06465	3.6
145.10110	42.6
147.08022	15.3
147.11681	15.1
149.06003	2.0
149.09625	9.0
149.13266	3.6
151.06300	2.4
151.07527	46.1
151.14851	1.4
152.07985	1.3
153.06972	2.1
153.09091	1.6
154.07870	1.5
155.08556	12.3
156.09361	10.4
157.06453	1.5
157.10126	30.7
158.10860	4.1
159.07993	6.8
159.11691	32.9
160.12413	1.8
161.05969	1.3
161.09636	9.9
161.13220	8.7
163.03883	1.7
163.07637	1.4
163.11186	11.1
165.06995	3.5
165.07695	1.7
165.09109	29.1
167.08524	8.4
167.10608	1.8
168.09361	2.8
169.10112	19.1
170.10870	7.7
171.08066	3.8
171.11687	23.4
172.08850	2.0
172.12450	4.2
173.09622	5.7
173.13251	17.0
174.10229	1.4
175.11166	4.3
175.14835	24.6
177.09117	3.2
177.12674	1.6
179.08562	5.2
180.09286	2.2
181.10138	9.5
181.12180	11.3
182.10945	6.5
183.08032	2.5
183.11699	21.7
184.07326	5.0
184.08865	1.9
184.12482	2.3
185.06017	1.8
185.09657	3.4
185.13234	15.7
186.14070	2.2
187.07562	2.7
187.11169	4.9
187.14877	9.9
189.09079	4.2
189.12730	12.4
190.13425	1.9
191.14337	4.0
192.09326	1.9
193.10280	7.3
193.11888	2.1
193.15892	3.1
194.10883	4.8
195.08029	2.2
195.11746	10.7
196.12456	3.0
197.09547	3.6
197.13260	16.2
198.13898	1.8
199.11182	4.8
199.14835	6.1
201.09187	1.9
201.12791	3.4
201.16365	12.7
203.14290	11.1
205.15891	2.7
206.10840	2.9
207.11719	6.7
207.13817	15.1
208.12579	3.2
208.14574	3.6
209.09647	2.3
209.13252	12.2
209.15204	2.5
211.11295	3.1
211.14845	8.4
213.12706	2.7
213.16447	2.8
215.10728	2.3
217.15933	2.6
219.11719	3.8
219.17453	8.7
220.12511	3.3
221.13301	7.0
221.15331	52.1
222.13927	2.3
222.15845	2.0
223.11270	2.4
223.14825	5.8
224.15587	2.2
225.12801	2.8
225.16418	3.0
227.14536	1.7
227.17741	1.5
229.12196	2.2
231.11644	2.8
231.13818	1.7
233.13298	3.6
233.15430	2.1
234.16087	2.1
235.14748	4.9
237.12637	2.0
237.16431	3.0
239.14223	2.4
239.18005	2.5
241.19604	3.9
246.14107	2.2
247.14719	3.6
247.17064	1.7
249.16403	2.8
251.18004	2.8
253.19406	2.8
255.13725	2.5
257.18726	1.7
259.20593	4.7
261.16312	2.2
263.14597	1.5
263.17880	2.2
265.19592	2.3
271.20462	4.4
277.19507	2.1
283.20505	2.3
285.22098	1.7
286.19189	3.9
307.11884	2.5
312.20740	1.5
325.25272	2.9
337.21768	1.5
352.23904	4.2
373.16367	1.8
375.26868	1.7
391.17465	4.1
403.30087	1.5
404.30603	2.8
411.17630	1.8
419.95428	1.6
425.30502	1.7
438.31180	2.3
475.22757	1.5
487.23123	5.6
487.34555	2.1
491.34924	1.8
493.37134	2.1
504.35797	6.1
505.36542	2.5
533.28296	1.5
551.26117	7.4
553.28119	2.8
579.32825	2.1
584.42426	8.3
723.42188	2.5
741.43280	9.1
759.44928	100.0
760.45050	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	759.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
54.01163	1.1
55.01873	1.6
55.05508	6.7
57.03431	1.6
57.07073	6.0
59.05000	1.6
65.03926	1.7
67.05508	17.7
68.05835	1.0
69.03424	5.1
69.07073	8.8
69.27778	1.8
69.28107	9.5
70.07429	1.1
71.04981	1.1
79.05494	19.5
81.03426	6.4
81.07051	22.8
83.04989	4.5
83.08620	4.0
85.02925	1.3
85.06561	2.1
86.09708	2.3
91.05479	25.6
91.06017	1.8
93.07045	30.2
95.01305	1.4
95.04970	7.6
95.08614	24.3
95.09181	2.0
97.06551	2.4
97.10168	1.0
100.57101	1.0
103.05489	2.8
105.04549	1.0
105.07030	31.4
107.04990	3.6
107.08597	24.9
109.06544	4.3
109.10152	15.4
110.07948	1.1
111.04486	1.3
111.08087	2.6
113.02414	1.1
115.05501	1.4
116.06259	1.0
117.07014	8.2
119.04989	1.6
119.08580	43.3
120.09469	1.2
121.06538	4.0
121.10133	19.7
123.08076	19.8
123.11744	4.7
124.19512	1.1
125.00051	2.3
125.06017	3.3
128.06233	3.9
129.06987	6.0
130.07816	2.5
130.08788	1.0
130.59747	0.9
131.08566	19.7
133.06528	3.7
133.10139	31.4
133.11095	1.9
135.08086	6.4
135.11690	14.9
135.12593	1.4
137.06007	1.4
137.09595	8.6
141.07010	2.5
142.07774	6.2
143.08554	12.3
144.09380	3.3
145.06482	1.7
145.10124	27.3
145.11275	1.4
146.07295	1.2
147.08040	14.7
147.11700	9.5
149.05994	1.6
149.09624	7.9
149.13312	2.5
151.07552	39.0
153.07072	1.3
155.06027	1.4
155.08557	5.0
156.09314	6.4
157.10123	17.4
157.11288	1.2
158.10847	2.2
159.08075	6.8
159.11700	14.6
160.12529	1.5
161.09625	5.2
161.13242	6.6
163.11179	7.0
165.07053	2.4
165.07684	1.3
165.09108	21.0
167.08615	2.7
168.09387	1.9
169.10101	7.9
170.10965	2.9
171.08017	2.5
171.11678	10.0
172.12430	1.6
173.09708	2.4
173.13257	9.2
175.07608	1.9
175.11256	2.8
175.14839	19.7
177.09117	6.0
179.08498	1.9
180.09282	2.0
181.10219	3.8
181.12242	4.3
182.10985	2.1
183.11688	7.8
184.07324	7.9
184.12463	1.7
185.09714	3.4
185.13286	7.9
187.07582	1.5
187.11237	2.1
187.14896	4.6
189.09186	2.3
189.11325	1.2
189.12747	5.2
189.16464	1.0
191.14304	1.7
193.10252	2.7
193.12311	1.9
193.16043	1.9
195.11653	6.0
196.12474	1.8
197.09537	1.2
197.13335	7.6
199.07645	1.3
199.11183	2.0
199.14906	3.8
201.12804	1.7
201.16322	5.2
203.07079	1.7
203.14326	6.3
205.16016	1.3
206.10899	1.3
207.11784	3.7
207.13890	9.4
208.12402	1.5
209.09674	1.4
209.13330	4.5
209.15376	2.0
211.11267	1.6
211.14946	3.8
213.16476	1.6
219.11749	1.6
219.17523	4.3
221.13304	3.7
221.15347	56.4
223.11292	1.7
223.14859	2.6
225.16454	2.6
235.11383	1.4
235.14955	2.5
236.15494	1.2
237.16548	1.5
239.14241	1.1
239.17987	1.3
245.13330	1.2
247.14929	1.5
251.18193	1.5
253.19606	1.8
259.20654	1.3
261.22275	1.6
267.16055	3.9
271.20624	1.2
278.75720	1.1
287.20261	1.2
295.11984	1.8
300.20810	1.2
307.11996	1.4
325.25372	2.4
335.25922	5.9
389.71216	1.1
404.31052	2.2
475.23389	2.4
493.36682	3.6
505.36426	1.3
527.37646	3.2
544.37524	1.3
545.38373	2.0
551.29529	1.7
562.38336	1.8
579.32379	1.9
584.42554	1.5
602.38550	1.3
703.38287	1.5
708.84717	1.2
741.43378	6.3
759.44684	100.0
760.45209	8.1
794.55109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.0
55.01848	7.3
55.05521	21.4
57.03421	4.7
57.07063	11.8
58.14363	3.1
65.03927	5.2
67.05512	43.8
68.05823	6.8
69.03422	10.4
69.07076	26.0
69.21573	33.2
71.04984	5.5
79.05495	39.4
81.03426	5.5
81.07059	64.9
82.07369	3.4
83.04970	13.7
83.08614	15.4
85.02880	4.9
85.06538	12.0
91.05477	61.4
92.05814	6.8
93.07052	78.2
94.07341	6.6
95.01322	6.2
95.04969	17.5
95.08619	55.6
96.08910	4.7
97.02876	4.0
97.06534	11.1
97.10188	3.6
98.21488	5.2
103.05462	4.6
105.03458	3.1
105.04456	3.4
105.07036	81.3
106.07371	7.4
107.04975	5.5
107.08603	71.8
109.02837	3.5
109.06545	15.8
109.10164	34.6
111.08074	6.9
115.05462	7.7
117.07027	21.6
119.04908	6.1
119.08588	100.0
120.08898	7.3
121.06506	14.9
121.10167	39.5
122.10460	4.7
123.04430	6.9
123.08076	24.9
123.11728	9.2
124.08413	4.1
125.00027	5.1
125.06020	6.7
125.09637	6.6
128.06212	9.6
129.07014	17.4
130.07738	5.5
131.08583	46.7
133.06517	6.3
133.10146	66.6
134.10454	5.2
135.08054	14.1
135.11697	32.5
137.09691	7.0
139.11200	3.7
141.06970	10.7
142.07759	12.9
143.08585	30.3
144.09332	9.1
145.06496	6.8
145.10135	68.8
146.07239	4.5
146.10550	3.9
147.08092	15.9
147.11684	22.2
148.12050	4.2
149.05989	4.2
149.09656	9.9
149.13240	14.1
151.07565	23.2
153.06981	5.9
154.07793	4.2
155.08540	20.8
156.09349	12.5
157.10130	44.6
158.10921	15.5
159.08043	11.1
159.11707	45.3
160.08783	4.3
161.09604	11.8
161.13235	12.2
163.11182	12.0
163.14841	3.7
165.09093	10.0
167.08580	11.0
167.10696	7.8
168.09363	4.9
169.10121	24.8
170.10851	10.3
171.08037	6.3
171.11736	27.4
172.12321	6.8
173.09644	5.3
173.13275	28.6
174.13640	4.8
175.07567	5.2
175.11148	7.2
175.14822	23.0
177.12706	5.6
179.08533	6.7
181.10201	15.4
181.12247	8.8
182.10884	4.4
183.11714	21.1
184.07320	6.5
184.12399	3.5
185.09677	5.3
185.13289	15.9
187.11218	7.5
187.14827	8.4
188.15195	4.1
189.12706	8.8
191.14273	8.3
193.10152	8.5
194.10860	6.3
195.11707	17.0
196.12273	5.1
197.09644	6.1
197.13268	24.4
198.13884	5.0
199.07381	3.4
199.14835	9.5
201.12804	5.4
201.16370	14.9
203.14276	9.9
205.15930	4.2
207.11719	9.0
207.13817	14.6
208.12436	5.6
208.14442	4.0
209.13260	18.5
209.15244	5.7
210.13647	7.1
211.11266	4.8
211.14812	15.2
213.12805	4.0
213.16382	8.0
215.07137	4.1
215.14297	6.1
217.16002	4.6
218.10825	3.8
219.11797	4.3
219.17419	4.7
220.12486	3.8
221.13333	7.3
221.15414	16.2
223.14822	10.5
225.16315	8.0
233.13274	4.4
235.14894	7.6
237.16338	8.5
241.19553	4.3
249.16251	4.5
259.20474	4.4
261.16241	3.5
263.17984	6.3
269.17361	8.0
270.17950	7.9
275.17761	3.6
277.19537	4.1
283.20715	5.4
285.22015	4.3
351.26752	7.6
352.23773	5.9
365.24332	3.2
391.17517	11.8
431.33179	3.4
463.30554	5.8
464.30872	14.8
504.35742	10.1
551.30475	5.0
553.27582	7.0
562.33173	3.6
584.42334	7.0
636.74994	3.6
638.32654	4.2
741.43164	10.6
759.45038	60.4
760.41577	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	759.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01871	7.2
55.05515	24.8
56.17381	2.7
57.03435	4.8
57.07079	8.6
65.03925	6.1
67.05504	40.6
68.05846	4.8
69.03416	8.5
69.07073	25.1
70.08506	9.8
71.04998	5.9
79.05498	41.7
80.05812	4.0
81.03398	9.2
81.07059	60.7
82.07381	5.7
83.04978	9.8
83.08180	4.1
83.08617	23.2
85.02897	6.1
85.06543	5.8
86.09706	9.2
91.05472	58.5
91.06015	4.1
93.07045	70.2
95.04965	17.9
95.08071	4.0
95.08614	50.6
96.08957	4.2
97.02888	3.6
97.06518	12.8
103.05455	7.3
105.07033	73.4
106.07325	6.1
107.04955	8.6
107.08599	71.0
108.08887	6.1
109.02903	5.3
109.06543	14.1
109.10162	36.9
111.08084	5.0
115.05508	8.0
117.07016	22.8
119.08582	100.0
121.06516	8.9
121.10153	48.5
122.10413	4.5
123.04429	4.6
123.08044	18.7
123.11707	13.6
125.06007	4.7
125.09663	6.0
128.06238	10.9
129.06975	19.9
130.07822	6.6
131.08563	46.9
132.08868	4.3
133.06500	6.9
133.10127	71.7
134.10452	6.4
135.08080	11.2
135.11688	31.4
137.09601	11.1
139.11111	5.3
141.06987	12.5
142.07808	16.8
143.08577	37.0
144.09268	11.2
145.06438	7.7
145.10121	67.3
146.07170	4.7
146.10478	4.0
147.08035	13.9
147.11702	24.7
148.12048	3.3
149.05898	4.1
149.09619	12.5
149.13258	11.8
150.13594	3.8
151.07550	27.2
155.08588	18.8
155.10710	4.3
156.09334	14.0
157.10132	44.4
158.10875	12.4
159.08076	10.8
159.11699	47.8
160.12096	5.2
161.09665	13.2
161.13255	13.5
163.11188	13.4
165.05620	4.8
165.06978	6.0
165.09145	10.8
167.07211	3.8
167.08580	11.8
167.10728	5.1
168.09404	6.6
169.10124	24.7
170.10855	6.0
171.08067	6.1
171.11694	34.8
172.12263	6.9
173.09599	10.4
173.13271	23.9
175.11238	3.8
175.14851	28.3
177.12712	4.6
178.47217	3.1
179.08549	5.9
180.09322	4.1
181.10077	16.1
181.12248	8.6
182.10779	5.6
183.07968	3.5
183.11664	16.0
184.07358	29.2
184.12332	7.3
185.09648	5.0
185.13275	20.0
187.11143	3.4
187.14790	9.1
189.12816	8.2
191.14247	5.3
192.09216	3.5
193.10188	6.2
193.12199	3.6
194.10831	5.3
195.11667	18.1
196.12372	7.8
197.09586	3.4
197.13341	16.0
198.13763	6.2
199.11165	6.3
199.14754	11.5
201.16420	11.6
203.14311	9.1
205.15800	3.9
207.11694	8.8
207.13795	16.1
208.12418	6.4
209.09662	4.2
209.13210	14.8
209.15247	7.0
210.13972	6.7
211.11195	5.9
211.14824	18.4
213.09149	5.4
213.12755	3.8
213.16380	6.9
215.10555	4.0
217.15927	3.4
219.11696	5.3
219.17555	7.5
220.12321	4.3
221.13359	6.9
221.15384	22.0
222.13997	4.2
223.14812	12.2
225.16368	7.2
229.08632	4.6
235.14850	7.4
237.16371	8.3
239.17842	4.0
241.19621	4.5
244.60313	3.4
249.16331	4.1
251.18016	3.4
253.19637	3.3
259.20764	4.1
263.17963	4.4
265.19427	5.1
269.17532	9.4
270.17856	6.6
271.15195	5.1
283.20834	4.3
286.19431	4.8
306.19208	3.7
347.18896	4.6
352.24188	4.5
391.17548	7.7
415.95822	5.2
463.30640	6.5
464.30743	12.0
487.23251	5.3
493.36804	5.1
504.35568	10.4
544.37280	7.2
553.27936	7.9
583.40717	4.4
584.42053	10.6
741.43335	11.7
759.45050	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01851	3.4
55.05511	15.2
56.39726	1.6
57.03424	2.4
57.07065	2.3
59.04998	3.3
65.03937	3.7
67.05178	2.2
67.05508	24.0
68.79213	1.5
69.03433	10.8
69.07066	22.0
71.04994	2.4
71.49790	2.2
71.50176	2.5
79.05489	29.6
81.03408	6.1
81.07058	34.2
83.04988	9.6
83.08626	9.9
83.12669	1.7
85.02880	6.2
85.06532	2.7
86.09704	4.5
91.04909	2.6
91.05476	36.2
93.07047	62.8
95.01317	2.1
95.04961	9.6
95.08611	30.9
96.08942	2.8
97.02853	3.0
97.06517	6.1
102.96383	1.8
103.05435	3.7
105.07034	50.3
106.07305	2.6
107.04943	3.8
107.07890	2.9
107.08595	46.3
108.08897	2.5
109.02882	3.2
109.06504	8.5
109.10150	22.9
111.08076	2.8
111.11669	2.8
115.05447	4.7
117.07008	13.7
119.04945	2.5
119.08582	57.7
120.08906	2.2
121.06490	6.8
121.10151	64.7
122.10469	4.0
123.04385	3.0
123.08041	7.7
123.11700	7.0
125.00002	3.3
125.09638	10.6
128.06210	7.1
129.07036	11.1
130.07771	4.8
131.07748	2.2
131.08589	28.3
132.08888	2.7
133.06511	2.2
133.10135	33.9
134.10452	5.4
135.04361	2.4
135.08054	8.0
135.11693	17.4
139.11137	3.1
141.07066	4.3
142.07776	12.0
143.08574	18.7
144.09271	5.5
145.10132	38.4
146.10583	3.3
147.08006	6.6
147.11665	11.9
149.09618	16.4
149.13246	3.6
151.07521	3.9
151.11150	2.8
153.06995	1.9
154.07809	2.7
155.08568	10.8
155.10567	2.0
156.09328	7.0
157.10141	27.9
158.10773	5.9
159.08041	8.3
159.11705	21.1
160.12112	3.2
161.05959	2.4
161.09595	5.3
161.13266	5.4
163.07468	1.7
163.11148	5.3
165.05583	1.9
165.06946	2.7
167.08453	4.8
167.10686	100.0
168.09334	3.1
168.11029	4.2
169.10123	13.6
170.10777	5.0
171.11708	15.7
172.08794	2.0
172.12231	2.7
173.09558	3.1
173.13246	17.8
174.13777	2.4
175.11211	4.6
175.14848	17.4
177.12695	2.4
179.08528	5.2
180.09270	4.3
181.10136	10.9
182.10834	4.6
183.11688	10.0
184.07372	12.3
184.12370	3.3
185.09659	3.7
185.13232	9.9
186.13637	2.4
187.11137	3.7
187.14760	11.2
188.15219	1.9
189.12738	4.1
191.14311	4.9
192.09375	3.3
193.10074	6.8
194.10893	4.0
195.11690	13.3
196.12376	6.2
197.13255	13.7
198.13733	2.5
199.14793	10.8
201.12703	2.8
201.16400	6.8
203.14345	2.0
206.10864	4.0
207.11653	9.1
207.13632	3.3
208.12404	2.5
209.09579	2.5
209.13220	11.2
209.15245	3.9
210.13971	2.5
211.14821	6.8
213.16301	4.0
215.14262	4.1
219.11879	2.5
219.17403	3.9
220.12346	3.6
221.13202	6.1
221.15305	3.4
222.13991	2.3
223.14816	4.7
225.12589	2.8
225.16394	4.0
227.14398	2.3
229.15730	2.1
233.13257	4.4
233.15375	8.9
234.13937	3.0
235.14867	3.7
237.16367	4.1
239.18048	2.9
241.19540	3.5
247.14796	2.6
249.16386	4.3
255.17386	5.8
257.19055	2.7
259.20590	5.7
260.20956	2.2
261.16351	3.2
264.18396	2.1
265.19403	4.3
266.19501	1.8
270.19818	1.8
273.18787	1.9
275.20227	2.2
279.20935	2.7
281.19138	1.9
283.20605	3.5
285.18710	3.2
285.22067	4.1
286.17050	2.2
286.22391	2.4
297.18951	2.3
297.22098	4.4
367.26334	2.1
421.18604	2.4
427.20612	2.3
443.20456	4.0
461.21506	8.2
482.26190	1.8
537.27509	1.9
544.36829	6.7
584.42059	6.4
723.42023	2.8
741.43054	3.9
759.45099	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	759.3924
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03938	1.6
54.61601	0.6
55.01859	1.2
55.05515	5.0
57.03432	1.1
57.07047	2.3
61.02940	3.5
61.72952	0.6
65.03915	0.9
65.36496	0.6
67.05505	8.1
69.03436	3.9
69.07071	5.5
69.22699	7.3
70.06596	0.7
71.01322	1.0
73.02897	1.7
79.05077	0.9
79.05495	10.1
81.03399	2.3
81.07059	12.5
83.04948	2.7
83.08585	2.1
85.02904	3.4
85.06529	1.2
86.09671	1.3
86.18375	0.6
87.04462	1.2
91.03939	1.6
91.04982	0.9
91.05476	11.3
93.06502	1.1
93.07043	17.3
94.07325	0.7
95.01304	0.8
95.04966	3.7
95.08612	12.8
97.02865	2.6
97.06502	2.4
97.10196	1.2
101.02372	1.1
103.05448	0.8
105.06417	1.0
105.07037	16.3
106.07323	0.8
106.10077	0.6
107.04927	3.2
107.08599	14.8
108.08872	0.8
109.02850	1.6
109.06496	2.5
109.10159	7.4
111.16240	0.7
115.05436	1.1
117.07002	4.9
119.08587	17.0
120.08904	0.8
121.06455	2.5
121.10135	8.8
123.04424	1.2
123.08062	5.1
123.11704	1.8
124.99969	1.0
125.05986	0.9
127.03865	1.2
128.06190	1.5
129.06944	2.4
131.08562	8.9
132.08987	0.9
133.06430	1.3
133.09300	0.8
133.10141	13.0
135.08054	3.4
135.11702	10.4
137.09547	2.1
141.06985	1.2
142.07739	2.1
143.08586	4.9
144.09293	1.3
145.06499	1.1
145.10124	10.4
146.10585	0.8
146.83003	0.7
147.08008	2.8
147.11688	5.2
149.09566	2.7
149.13231	1.5
151.07553	8.7
151.11142	0.8
153.06934	0.9
155.08490	2.8
156.09303	2.3
157.10124	6.2
158.10820	1.2
159.08060	1.4
159.11684	6.9
161.09607	1.6
161.13194	2.1
163.11188	6.9
165.09094	4.8
167.08533	1.2
167.10619	1.3
168.09366	0.9
169.10063	2.5
170.10904	1.2
171.11687	4.1
173.09660	0.9
173.13266	4.4
175.11172	1.5
175.14847	5.8
177.09056	1.1
177.12756	1.0
179.08546	0.9
179.14278	1.0
181.10030	2.4
181.12204	2.1
182.10893	0.9
183.11636	2.5
184.07318	4.9
185.09703	0.9
185.13193	2.7
187.11086	0.9
187.14766	1.8
189.12715	1.9
193.10071	1.6
195.11665	2.1
197.13191	2.5
199.14839	0.9
201.16339	1.6
203.14183	2.0
207.11948	1.0
207.13838	2.2
208.12396	0.9
209.13280	1.6
211.14789	2.0
215.10664	0.9
219.09885	1.4
219.17363	1.0
221.13185	1.9
221.15312	10.9
223.14798	1.6
227.12718	2.7
229.15620	0.9
233.13205	0.8
235.14781	1.1
237.16087	0.8
243.08357	3.4
249.10936	6.1
250.11157	0.8
251.17993	0.9
259.20621	1.0
269.17307	1.3
272.15567	1.0
275.19897	1.2
305.13531	2.5
315.19336	2.8
371.21582	1.4
377.92047	0.7
391.17212	1.0
402.34854	0.6
463.30441	1.1
464.30753	2.0
467.18939	14.4
533.27130	8.8
534.26898	0.8
562.37842	1.0
584.42151	1.1
741.42200	1.7
759.38831	100.0
760.38995	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	758.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01847	1.1
55.05515	19.2
57.03446	7.9
57.07085	2.1
59.04992	1.5
61.02919	2.1
65.03930	2.9
66.54136	0.9
67.05508	74.4
69.03425	2.1
69.07076	13.3
70.89864	2.5
70.90212	1.1
71.04604	1.3
71.04997	22.6
73.02933	1.1
79.05497	40.7
81.03413	1.0
81.07061	99.3
83.04988	4.3
83.08630	9.1
85.02917	3.4
85.06561	7.6
86.09700	1.3
91.05486	32.1
93.06485	2.0
93.07053	38.5
93.07645	1.9
95.04971	3.3
95.08614	31.7
97.02881	1.5
97.06538	5.8
97.10176	1.8
99.08061	1.2
105.07040	18.9
107.08606	23.0
109.06538	1.7
109.10155	14.6
111.08121	3.1
117.07026	4.1
119.08591	9.2
121.10148	17.3
123.08076	1.3
123.11714	13.7
125.09602	1.6
126.44118	1.0
131.08562	9.2
133.10135	21.6
135.11707	12.1
145.10103	5.0
147.11642	4.7
149.09592	1.4
149.13243	5.5
151.11191	7.7
159.11682	7.2
161.13284	3.4
163.14856	1.6
173.13295	2.4
177.12666	1.1
183.13821	3.1
184.07349	3.4
187.13322	3.8
187.14803	1.1
195.13792	3.1
227.16431	2.1
243.21265	1.1
257.17377	2.1
259.20663	1.6
261.22131	2.8
269.17395	5.5
301.11786	1.0
301.20114	18.4
317.24841	1.2
335.25827	31.9
411.32608	1.7
437.34131	1.4
485.36203	3.2
503.37341	100.0
504.37515	4.0
517.38947	5.1
529.38861	15.2
561.41534	93.5
562.41656	3.3
647.41333	1.3
651.24811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.01856	10.5
55.05265	4.0
55.05508	39.9
57.03442	17.9
57.07061	4.0
61.02911	3.9
65.03949	4.6
67.05506	91.6
69.03413	9.4
69.07063	35.1
71.04987	12.0
73.02894	3.2
79.05490	80.5
79.05976	3.8
81.03416	48.1
81.07055	100.0
83.04995	19.4
83.08232	2.8
83.08620	31.5
85.02901	18.1
85.06537	6.0
86.09705	14.4
91.04910	3.1
91.05477	77.3
93.07047	92.3
93.07638	5.3
94.07375	4.3
95.04965	27.9
95.08607	49.2
97.02914	5.9
97.06551	21.0
97.10168	9.7
99.08077	7.3
105.07029	60.6
107.04944	9.1
107.08580	49.2
109.06519	9.6
109.10171	15.4
111.04402	3.5
111.08058	11.6
113.05981	3.8
117.03169	2.7
117.07013	20.6
119.04965	2.4
119.08575	46.2
121.06522	6.3
121.10149	32.8
123.04417	3.6
123.08024	4.0
123.11696	4.6
124.99994	8.1
125.09624	7.3
127.03983	3.2
128.06216	2.6
129.07004	13.3
130.36758	2.7
131.08553	32.6
133.06500	3.2
133.10118	40.5
135.04387	2.8
135.08080	4.8
135.11684	25.7
137.09575	4.6
139.11209	5.7
142.07794	4.8
143.08527	7.6
145.10162	20.4
147.07965	6.0
147.11685	33.7
149.09627	13.8
149.13268	24.0
151.11162	5.2
155.08653	2.6
157.10109	14.9
159.11682	23.6
161.09619	4.2
161.13213	10.7
163.11205	6.5
165.12700	3.6
167.00298	2.7
169.10124	4.1
171.11690	7.0
173.13254	7.6
175.11169	12.7
175.14850	5.8
177.12711	6.8
183.11736	3.1
184.07361	43.6
185.13225	7.1
193.12242	33.7
195.13763	4.2
199.14980	3.1
199.16911	13.3
211.13264	57.6
214.12849	2.8
223.84859	2.5
227.12714	6.0
228.13139	3.2
241.19469	10.9
253.14357	5.6
255.15730	3.3
257.18976	4.5
259.20593	33.4
260.21097	2.6
267.15848	4.5
269.17462	57.9
271.15332	3.0
275.20023	15.4
283.15308	4.5
285.16916	33.7
291.19528	7.8
292.20084	3.1
293.21112	2.8
301.42603	2.7
315.23047	4.0
315.41608	2.9
333.24191	32.4
334.24634	3.9
349.23773	14.7
351.25455	3.0
449.29181	16.3
451.32047	4.0
463.30536	53.8
503.33539	3.3
517.34857	6.0
525.35901	11.2
543.36823	67.8
561.37268	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01870	10.3
55.05509	18.1
57.03437	13.4
57.07073	2.7
61.02925	2.9
65.03933	3.0
67.05505	67.3
69.03445	2.0
69.07076	16.4
69.27993	10.3
71.04978	5.2
73.02918	2.6
74.09698	1.3
74.60348	1.1
79.05492	48.8
81.03431	8.3
81.07056	55.4
82.07384	1.2
83.04984	25.3
83.08619	11.4
85.02910	6.5
85.06537	3.5
86.09712	4.9
91.05477	29.0
93.07046	56.8
95.04977	7.9
95.08610	36.2
95.09104	0.7
97.02896	5.9
97.06510	8.7
97.10167	5.6
99.04477	2.9
99.08115	2.4
101.02357	1.3
104.10673	1.4
105.04542	1.8
105.07037	16.0
107.04946	6.4
107.08595	37.8
109.02875	4.6
109.06535	3.3
109.10157	22.8
111.04443	46.9
111.08074	13.6
111.32932	1.2
113.06016	1.7
115.05494	1.9
117.07027	9.0
119.08569	15.4
121.06531	2.3
121.10144	32.1
123.08091	3.3
123.11681	3.3
125.00022	4.4
125.06016	1.6
129.06976	3.4
131.08572	15.4
133.06621	1.2
133.10141	8.7
134.10385	1.2
135.08064	2.9
135.09412	1.5
135.11696	31.1
135.12727	2.0
137.09605	2.3
139.11240	2.5
143.08507	2.2
144.69528	1.3
145.10117	22.2
147.08037	1.5
147.11688	7.1
149.09647	5.6
149.13232	4.7
153.12746	24.8
155.08583	2.0
159.11720	2.8
161.09660	1.7
161.13153	2.7
162.70325	1.4
163.11185	39.9
163.14830	2.8
173.09651	6.8
173.13246	4.8
181.12230	33.1
182.12587	1.6
184.07321	17.4
189.09088	1.7
191.10669	25.7
209.11742	20.3
213.12700	1.6
225.11336	2.3
227.12790	35.3
243.21089	3.3
245.13948	2.2
261.22125	17.4
283.15402	77.5
301.16458	56.7
302.17026	1.4
317.24789	3.1
335.25790	100.0
336.26062	6.9
337.26343	1.9
433.30801	1.6
451.31885	2.7
469.33081	2.4
469.56308	1.2
514.63007	1.5
525.35699	3.0
526.18384	1.2
543.36768	28.9
561.37854	90.1
562.38116	4.3
758.08020	1.2
758.42242	2.1
759.39679	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01880	11.5
55.05517	23.6
57.03442	17.7
57.07071	4.1
61.02920	5.5
65.03934	4.1
67.05506	90.3
69.03434	3.8
69.07067	22.0
69.55026	11.6
71.04990	6.0
79.05493	71.4
81.03421	11.8
81.07054	72.2
83.04980	29.2
83.08615	10.2
85.02921	6.6
85.06549	4.0
86.09712	6.4
91.05482	40.9
93.07046	78.1
95.04973	11.3
95.08612	50.7
97.02907	10.6
97.06522	16.2
97.10172	4.2
98.21484	2.9
99.04469	3.4
99.08105	2.9
105.04519	2.9
105.07029	26.0
107.04980	9.9
107.08593	41.2
109.02876	3.1
109.06514	2.9
109.10148	31.4
111.03714	3.3
111.04447	42.2
111.08084	16.2
113.06008	1.8
117.07012	17.3
119.06113	1.9
119.08588	24.6
121.06541	4.3
121.10152	35.0
123.08101	4.0
123.11706	8.2
125.00027	3.6
125.06017	3.8
125.09602	3.2
129.07025	5.0
130.07802	1.8
131.04887	2.3
131.08591	24.3
133.06468	2.1
133.10153	17.5
134.10582	1.7
135.08109	3.8
135.11700	48.8
137.09621	3.6
143.08578	4.8
145.10123	32.2
147.08101	3.6
147.11681	11.6
149.09627	7.1
149.13258	9.7
151.11201	2.0
153.12732	22.7
155.08548	5.2
157.10210	2.4
159.11685	11.9
161.09657	2.7
161.13280	5.5
163.11201	37.0
163.14836	3.2
165.12769	1.7
169.10085	2.4
171.11676	4.4
173.09685	8.4
173.13271	6.7
181.12238	34.4
181.13728	2.9
184.07344	20.3
187.14838	2.7
191.10677	24.6
197.13321	2.1
209.11723	31.7
227.12769	43.6
243.21114	5.7
261.22110	20.8
265.14590	2.1
273.22095	2.9
283.15408	100.0
284.15756	2.8
299.14938	2.9
301.16464	66.3
315.23291	2.2
317.24768	2.0
335.25821	94.2
336.26221	6.2
373.24121	2.5
433.30869	4.3
451.32022	8.1
461.57986	2.0
469.33228	6.7
483.20856	1.7
487.34250	3.3
500.16617	2.0
515.37170	3.1
525.35809	11.0
543.28357	2.5
543.36792	58.2
561.37866	70.8
562.38690	3.3
740.78210	2.0
758.42609	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.01873	5.7
55.05514	27.0
56.41261	1.9
57.03442	18.9
57.07076	6.3
60.08155	2.6
61.02919	7.5
65.03935	5.5
67.05511	100.0
67.34417	1.9
69.03419	5.9
69.07072	28.3
69.99097	1.9
70.69896	5.0
71.01360	1.9
71.04999	4.3
71.08653	2.6
73.02905	2.7
73.04746	2.0
79.05500	74.9
81.03410	7.7
81.07059	82.0
82.07391	2.2
83.04985	15.5
83.08623	12.9
83.46769	2.0
85.02908	10.0
85.06532	7.1
86.09720	13.8
91.05484	61.1
93.07052	84.9
95.04972	15.2
95.08614	58.4
96.08934	2.5
97.02912	11.5
97.06521	16.8
97.10164	6.0
99.04453	3.0
99.08105	4.0
103.05455	2.3
105.07039	41.3
106.07376	2.3
107.04991	11.0
107.05637	2.5
107.08600	42.8
109.06512	7.9
109.10162	38.5
111.04446	11.7
111.08100	6.3
113.06022	2.4
115.05461	2.3
117.07045	22.1
119.08591	39.4
121.06496	8.4
121.10162	40.1
123.08049	4.5
123.11749	10.2
124.99989	9.1
125.06022	3.5
125.09628	3.3
128.06221	3.4
129.07042	10.3
131.04883	2.2
131.08578	33.2
133.06467	2.6
133.10127	33.6
135.08080	6.6
135.11713	54.3
137.09613	7.2
139.11211	3.6
141.06964	2.4
142.07813	3.0
143.08563	12.3
144.09314	2.7
145.06483	4.4
145.10133	40.0
147.08026	5.9
147.11702	10.9
149.09663	9.6
149.13286	4.9
151.11176	6.9
153.12708	2.5
155.08551	6.5
157.10146	8.6
159.08089	3.4
159.11658	15.4
161.09637	3.8
161.13275	7.3
163.11214	20.8
163.14810	3.5
167.08647	2.6
169.10170	7.1
171.11699	6.3
173.09627	7.9
173.11874	3.1
173.13255	10.5
175.11171	5.7
175.14864	5.6
181.10120	2.8
181.12267	21.8
184.07338	40.4
185.13277	7.6
187.11092	2.7
187.14859	5.0
189.12727	2.7
191.10701	6.4
195.11646	4.0
197.13309	4.2
199.13210	2.5
199.14871	2.7
201.16473	2.5
208.14604	3.9
209.11739	21.2
221.15401	3.5
227.12761	18.7
227.16374	4.4
229.14339	5.5
239.17848	2.7
243.21109	3.3
253.14223	2.5
255.15901	6.7
257.18964	2.9
259.20554	4.8
261.22162	11.5
273.22180	4.9
280.08023	2.3
283.15414	96.4
284.15637	2.9
285.17065	2.5
299.20206	3.1
299.23590	2.6
300.15479	2.9
301.16516	30.4
301.21582	3.8
315.23160	5.8
317.21179	2.6
317.24713	4.3
333.24280	2.8
335.25839	56.2
336.25879	2.9
367.49664	2.0
373.23706	3.4
389.26791	2.7
433.31104	10.1
447.02957	2.1
451.31934	14.7
469.33362	13.9
487.34259	6.3
515.37201	5.9
525.35962	19.1
543.36847	96.2
544.36951	5.2
561.37878	38.7
721.96808	2.4
758.43829	3.3
759.43225	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	757.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01864	8.7
55.05517	30.2
57.03430	10.1
57.07069	5.4
65.03938	9.2
67.05511	92.8
67.88728	2.7
69.03139	2.6
69.03440	26.1
69.07071	29.8
71.04989	6.8
71.08643	3.8
74.09705	2.9
79.05496	89.1
81.03426	19.2
81.06594	5.7
81.07060	100.0
83.04973	10.3
83.08625	15.5
85.02895	5.4
85.06516	3.5
91.05482	61.7
93.06487	5.7
93.07050	85.9
95.04973	15.6
95.08008	3.5
95.08614	68.0
96.08920	3.3
97.02875	10.1
97.06551	5.7
97.10178	5.1
99.04460	5.5
101.32385	3.8
103.05460	4.1
105.07029	51.6
107.04932	8.1
107.08599	46.5
109.02873	10.6
109.06513	8.6
109.10155	27.4
111.04431	4.6
111.08076	6.0
117.07030	24.5
119.08586	40.1
121.06528	7.2
121.10160	36.8
123.08073	9.5
123.11698	8.2
125.00006	5.7
125.09556	3.4
127.03893	4.2
128.06198	7.8
129.07005	16.6
131.08591	35.5
133.06491	8.6
133.10144	27.2
135.08102	6.4
135.11687	21.5
137.13203	3.5
139.07600	3.4
142.07828	4.5
143.08549	14.5
145.06528	3.7
145.10146	26.8
147.08075	9.5
147.11710	20.2
149.09618	5.1
149.13237	13.7
155.08522	6.1
157.10127	11.8
159.08037	3.6
159.11696	20.1
161.09717	4.2
161.13261	9.3
163.14867	5.9
169.10107	5.9
171.07985	4.4
171.11748	7.2
173.09714	3.1
173.13284	11.7
175.11223	4.4
175.14821	6.2
181.10091	3.4
183.11765	5.4
184.07338	9.9
185.09755	4.1
185.13312	7.5
187.14793	6.4
189.12689	5.1
197.13321	5.0
199.11215	4.5
199.14854	8.0
201.16408	3.5
209.13295	4.9
211.14731	4.3
241.19315	3.4
243.20940	4.7
259.20682	5.1
261.22165	13.6
275.23749	3.2
285.22073	3.6
289.21631	5.5
292.44083	2.9
301.21640	7.5
315.23080	4.4
327.23349	4.7
330.06577	2.9
331.26181	5.0
335.25836	34.8
341.24573	3.5
345.24374	4.3
351.23361	8.6
369.24335	15.0
387.25339	6.8
389.29752	3.6
405.26334	7.5
443.27802	6.8
461.28882	5.9
478.43750	3.2
479.29919	9.4
645.53394	7.0
715.11139	3.5
721.49786	3.1
757.51709	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	757.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01858	0.7
55.05500	1.6
57.03432	1.7
61.02924	3.7
67.05508	5.0
69.03426	2.7
69.07064	2.7
73.02916	2.7
74.66876	0.4
79.05499	5.6
81.03413	2.4
81.07053	4.3
83.04975	1.4
83.08624	1.0
83.71712	0.4
85.02928	2.7
86.09717	0.9
91.03960	1.8
91.05485	5.7
93.07051	4.5
93.40864	0.4
95.01324	0.7
95.04980	1.7
95.08608	3.5
97.02907	3.2
97.06555	0.8
98.21507	1.2
99.04512	0.4
101.02393	0.8
105.07021	4.7
107.04935	2.1
107.08594	2.1
109.02910	0.7
109.06552	0.5
109.10158	0.8
117.07024	1.0
118.34679	0.4
119.08607	3.0
121.06524	0.4
121.10144	0.5
125.00008	0.6
125.92223	0.4
127.03947	1.0
129.07024	1.2
131.08559	1.1
133.09291	0.4
133.10097	2.5
143.08534	0.9
145.10164	1.5
147.11662	2.4
149.09669	0.6
159.11703	1.0
161.13272	0.8
163.11172	0.6
171.11722	1.4
179.14400	0.7
184.07281	3.3
203.05217	0.5
243.08441	2.2
247.12982	0.8
303.15768	0.7
315.19321	3.1
335.25937	0.6
370.99426	0.4
371.22253	0.7
394.62964	0.4
427.84451	0.4
465.20993	8.6
533.27319	6.9
560.36835	0.7
580.40887	0.5
733.72375	0.5
757.41333	100.0
758.41724	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	757.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01883	0.9
55.05511	2.1
57.03433	1.7
61.02917	3.4
65.03946	0.5
67.05499	5.8
69.03417	2.1
69.07063	3.3
71.05000	0.7
73.02923	2.5
79.05492	6.6
79.05925	0.7
81.03436	2.4
81.07056	5.8
83.04967	1.9
83.08647	0.4
85.02899	3.8
86.09711	0.6
91.03970	1.7
91.05479	6.2
93.07038	4.8
93.20612	0.4
95.01391	0.4
95.04981	1.5
95.08608	3.6
97.02891	3.1
97.06542	1.0
97.10187	0.5
99.04485	0.6
101.02390	1.3
102.31178	0.4
105.07024	5.7
107.04976	1.3
107.08593	2.5
109.02884	0.9
109.06519	0.8
109.10165	1.6
110.07556	0.5
110.46206	0.4
110.70925	0.4
117.07040	1.3
119.08586	3.5
121.06507	0.7
121.10141	0.8
123.08112	0.7
125.00015	0.5
127.03937	0.7
129.07019	0.9
131.08574	1.2
133.10130	4.1
134.10431	0.5
135.08121	0.5
135.11722	0.8
143.08601	0.5
145.10075	2.0
147.08022	0.5
147.11714	1.8
149.09641	0.8
151.11200	0.4
153.31116	0.4
159.11754	0.5
161.13321	1.0
163.11192	0.9
171.11717	1.7
179.14369	0.8
184.07315	3.2
185.04608	0.5
185.07776	0.4
229.38510	0.4
243.08395	2.2
247.13133	0.5
253.14362	1.4
254.14813	0.7
269.17493	0.4
275.20200	0.7
283.15549	0.5
315.19305	4.2
371.21854	0.5
465.20911	8.4
466.21133	0.6
533.27130	5.2
543.36322	0.5
560.36591	1.1
757.41302	100.0
758.41718	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	757.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06497	1.0
57.03434	2.0
61.02901	1.4
62.57338	1.1
65.03935	1.4
66.05605	1.1
69.03415	3.6
71.48955	1.3
73.02882	1.7
81.03427	2.2
85.02911	9.4
97.02908	2.6
103.03977	2.2
107.04981	1.3
109.02884	2.3
111.72499	1.1
115.05476	1.1
115.24621	1.2
119.04948	6.5
121.02874	25.4
127.03880	1.9
135.04402	2.8
144.08070	3.0
145.02837	5.1
147.04478	1.9
156.84831	1.2
163.03922	8.3
165.01877	2.8
175.03836	1.5
177.01862	2.8
177.05536	1.6
178.24226	1.3
179.03413	3.4
183.02882	1.3
187.03918	2.3
189.01796	6.8
189.05490	1.5
191.03368	4.0
195.02888	3.4
201.01953	1.7
201.05614	1.2
203.03395	7.5
205.05011	1.4
207.02905	5.0
215.03372	3.1
217.04953	3.0
219.02881	5.1
221.04536	1.7
227.03313	2.0
229.04958	4.3
233.04524	3.3
239.03439	1.4
241.04858	1.2
243.02992	2.6
245.04523	1.6
247.06075	1.4
255.02872	2.5
257.04449	3.6
261.03696	1.4
267.06516	5.6
268.07352	3.1
269.04361	1.3
270.05197	1.5
271.05939	2.8
273.03754	2.2
279.06537	4.7
280.07477	1.3
281.05029	1.7
281.08044	8.8
282.05237	1.5
283.06018	45.2
284.06738	5.8
285.03854	2.3
293.08096	3.4
294.05258	20.3
294.08395	2.3
295.06024	69.8
296.06653	7.1
297.07523	8.9
298.08456	1.1
305.08008	1.5
307.06036	47.0
307.09583	2.8
308.06735	20.1
309.04144	1.9
309.07532	21.4
313.07068	35.1
314.07068	1.2
319.05893	7.3
319.09671	2.9
320.06717	2.3
321.07596	24.5
322.08316	11.3
323.05511	3.8
323.09091	8.1
325.07068	100.0
326.07385	3.0
329.08237	1.7
332.07141	1.4
333.07602	7.4
335.05692	1.8
335.09204	11.8
336.06125	2.9
337.07062	84.6
338.07394	2.0
339.08713	3.1
345.07471	3.0
346.08368	1.8
347.09174	11.3
349.07056	36.6
350.07889	1.7
351.08658	23.3
353.06403	1.6
355.08176	17.0
356.08298	1.3
357.07462	1.9
361.07010	19.6
361.10809	2.1
362.07834	1.7
363.08881	5.6
365.06363	2.0
365.10248	13.7
367.08163	6.3
373.07034	4.5
374.07703	2.2
375.04706	1.8
375.08670	12.9
377.06451	2.2
377.10681	1.4
379.08160	54.7
380.08316	1.4
385.07053	2.9
387.08429	3.0
389.10089	3.6
391.08121	27.3
393.09628	3.8
397.09024	4.6
400.10184	1.2
401.10132	1.7
403.08087	25.2
405.09479	1.6
409.09241	15.6
415.09448	4.3
417.09409	4.6
421.09201	19.3
427.10379	7.2
431.11142	1.6
433.09241	3.1
439.10318	14.1
445.09528	6.1
457.11353	26.9
463.10107	5.5
469.09860	1.8
475.12503	13.3
481.11258	12.8
487.12125	8.5
499.12430	12.1
505.11182	3.4
511.12189	4.5
517.13507	11.3
523.12463	11.8
529.13092	6.7
541.13458	24.2
553.13013	2.6
559.14532	11.7
565.13281	1.6
571.14514	20.4
577.15363	12.7
583.14270	6.9
589.15546	18.6
595.16150	2.7
601.15698	17.4
607.16223	3.3
619.16614	67.4
620.16626	3.2
637.17499	14.2
643.16522	14.3
661.17804	11.1
667.16003	2.5
673.17670	16.3
685.17926	9.6
691.18512	4.3
703.19019	15.8
721.19757	18.0
722.20166	1.5
739.20691	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	757.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06497	1.0
57.03434	2.0
61.02901	1.4
62.57338	1.1
65.03935	1.4
66.05605	1.1
69.03415	3.6
71.48955	1.3
73.02882	1.7
81.03427	2.2
85.02911	9.4
97.02908	2.6
103.03977	2.2
107.04981	1.3
109.02884	2.3
111.72499	1.1
115.05476	1.1
115.24621	1.2
119.04948	6.5
121.02874	25.4
127.03880	1.9
135.04402	2.8
144.08070	3.0
145.02837	5.1
147.04478	1.9
156.84831	1.2
163.03922	8.3
165.01877	2.8
175.03836	1.5
177.01862	2.8
177.05536	1.6
178.24226	1.3
179.03413	3.4
183.02882	1.3
187.03918	2.3
189.01796	6.8
189.05490	1.5
191.03368	4.0
195.02888	3.4
201.01953	1.7
201.05614	1.2
203.03395	7.5
205.05011	1.4
207.02905	5.0
215.03372	3.1
217.04953	3.0
219.02881	5.1
221.04536	1.7
227.03313	2.0
229.04958	4.3
233.04524	3.3
239.03439	1.4
241.04858	1.2
243.02992	2.6
245.04523	1.6
247.06075	1.4
255.02872	2.5
257.04449	3.6
261.03696	1.4
267.06516	5.6
268.07352	3.1
269.04361	1.3
270.05197	1.5
271.05939	2.8
273.03754	2.2
279.06537	4.7
280.07477	1.3
281.05029	1.7
281.08044	8.8
282.05237	1.5
283.06018	45.2
284.06738	5.8
285.03854	2.3
293.08096	3.4
294.05258	20.3
294.08395	2.3
295.06024	69.8
296.06653	7.1
297.07523	8.9
298.08456	1.1
305.08008	1.5
307.06036	47.0
307.09583	2.8
308.06735	20.1
309.04144	1.9
309.07532	21.4
313.07068	35.1
314.07068	1.2
319.05893	7.3
319.09671	2.9
320.06717	2.3
321.07596	24.5
322.08316	11.3
323.05511	3.8
323.09091	8.1
325.07068	100.0
326.07385	3.0
329.08237	1.7
332.07141	1.4
333.07602	7.4
335.05692	1.8
335.09204	11.8
336.06125	2.9
337.07062	84.6
338.07394	2.0
339.08713	3.1
345.07471	3.0
346.08368	1.8
347.09174	11.3
349.07056	36.6
350.07889	1.7
351.08658	23.3
353.06403	1.6
355.08176	17.0
356.08298	1.3
357.07462	1.9
361.07010	19.6
361.10809	2.1
362.07834	1.7
363.08881	5.6
365.06363	2.0
365.10248	13.7
367.08163	6.3
373.07034	4.5
374.07703	2.2
375.04706	1.8
375.08670	12.9
377.06451	2.2
377.10681	1.4
379.08160	54.7
380.08316	1.4
385.07053	2.9
387.08429	3.0
389.10089	3.6
391.08121	27.3
393.09628	3.8
397.09024	4.6
400.10184	1.2
401.10132	1.7
403.08087	25.2
405.09479	1.6
409.09241	15.6
415.09448	4.3
417.09409	4.6
421.09201	19.3
427.10379	7.2
431.11142	1.6
433.09241	3.1
439.10318	14.1
445.09528	6.1
457.11353	26.9
463.10107	5.5
469.09860	1.8
475.12503	13.3
481.11258	12.8
487.12125	8.5
499.12430	12.1
505.11182	3.4
511.12189	4.5
517.13507	11.3
523.12463	11.8
529.13092	6.7
541.13458	24.2
553.13013	2.6
559.14532	11.7
565.13281	1.6
571.14514	20.4
577.15363	12.7
583.14270	6.9
589.15546	18.6
595.16150	2.7
601.15698	17.4
607.16223	3.3
619.16614	67.4
620.16626	3.2
637.17499	14.2
643.16522	14.3
661.17804	11.1
667.16003	2.5
673.17670	16.3
685.17926	9.6
691.18512	4.3
703.19019	15.8
721.19757	18.0
722.20166	1.5
739.20691	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	756.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
55.26894	0.1
56.05032	0.8
57.07071	0.2
58.06636	0.4
59.71533	0.1
60.08163	6.2
63.60217	0.1
67.05512	0.2
68.16769	0.1
70.06550	0.1
71.06984	0.2
71.07371	3.7
71.07762	0.2
71.08605	0.1
71.41230	0.2
71.41594	0.1
79.05510	0.3
81.07077	0.3
86.09705	31.1
87.10033	0.2
91.05480	0.1
93.07091	0.1
95.08611	0.2
98.98466	3.7
104.10747	2.0
115.47124	0.1
125.00005	22.4
179.43645	0.1
184.07338	100.0
185.07677	0.9
186.17638	0.1
283.80099	0.1
495.99667	0.1
598.22467	0.2
756.55396	2.1
757.54517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01859	1.9
55.05502	8.3
56.54050	1.8
57.03439	11.9
57.07049	4.2
57.07321	2.0
60.08156	4.5
64.64384	2.0
65.03940	2.3
67.05508	58.7
69.07082	12.3
69.91389	9.2
71.07349	3.6
79.05494	42.4
81.03413	7.9
81.06594	3.7
81.07057	57.2
83.04955	5.4
83.08604	6.8
85.06537	3.3
86.09711	32.1
91.05479	40.0
93.06493	3.6
93.07042	45.2
95.04963	5.6
95.08607	39.2
98.21423	3.4
98.98460	4.7
100.96770	2.1
104.57729	2.0
105.06396	3.6
105.07032	40.4
107.04948	3.7
107.08603	22.7
109.06506	3.1
109.10181	17.5
111.08063	2.3
117.07018	7.8
119.08580	27.2
121.10146	37.2
123.11697	6.4
125.00007	23.8
125.09595	2.1
129.06966	10.2
131.08571	30.5
133.10133	26.5
135.11705	13.0
137.09619	3.2
142.07861	3.7
143.08595	3.7
145.10167	14.1
147.08026	2.7
147.11696	29.4
149.09630	28.5
149.13249	6.6
151.11159	4.0
155.08525	2.4
157.10121	16.8
159.11696	9.0
161.13248	5.6
163.11162	6.1
163.14783	2.6
165.12769	6.0
169.10155	2.5
171.11653	4.3
172.35010	2.3
173.13326	3.6
175.11200	16.9
175.14751	2.8
176.15221	2.1
177.12782	6.1
183.11684	3.2
184.07349	100.0
185.13283	3.6
187.14796	4.2
193.12245	8.0
219.10226	1.9
230.41122	2.3
243.62332	2.3
259.20636	4.2
261.22122	5.8
267.15909	36.4
269.17438	9.2
283.23914	2.6
287.23453	2.2
289.21732	4.6
333.23901	4.4
335.25845	44.7
363.25256	8.1
381.26318	3.2
412.80359	2.3
417.31384	3.3
435.32452	15.7
453.33743	3.0
482.67929	2.3
509.36234	9.1
509.65579	2.2
527.37323	67.0
528.37555	2.9
533.23193	2.6
545.38367	48.8
546.38855	3.5
756.54974	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
53.74214	1.8
55.01860	2.0
55.05516	9.8
57.03441	9.8
60.08148	5.8
62.51990	1.8
65.03912	1.8
67.05505	50.7
69.07066	12.9
69.74996	4.2
69.75407	6.1
71.04980	2.8
71.07389	2.0
79.05488	38.0
81.03397	6.2
81.06591	3.8
81.07056	59.0
83.04956	4.5
83.08603	6.8
85.06515	2.8
86.09711	29.2
91.05482	42.7
93.06487	3.2
93.07047	44.9
95.04971	5.2
95.08607	30.4
97.06538	4.2
97.10177	2.2
98.98447	3.5
105.04546	2.0
105.07039	32.4
107.05003	2.1
107.08601	20.2
109.06510	2.6
109.10141	12.5
117.07013	7.5
119.08583	27.0
121.10142	39.0
123.11684	6.4
124.99987	16.0
129.05457	2.0
129.06990	10.6
131.08569	25.4
133.10120	23.7
135.11708	11.1
142.07767	2.4
145.10123	9.7
147.11691	31.5
149.09633	28.3
149.13252	5.8
151.11230	2.3
157.10136	15.5
159.11676	6.3
161.13242	7.7
163.11179	6.2
163.14801	2.7
165.12715	5.6
167.10725	2.3
171.11783	3.8
173.13213	2.8
175.11140	10.2
177.12775	2.5
184.07344	100.0
185.13284	3.1
187.14790	2.4
193.12253	6.0
195.11580	2.3
241.19484	3.3
259.20435	4.7
261.22086	5.5
265.14230	2.5
267.15912	23.6
269.17572	4.6
277.56900	2.1
289.21472	4.6
335.25784	42.7
336.26468	2.5
363.25278	8.9
381.26068	2.3
385.90314	2.3
417.31802	2.9
435.32904	10.7
453.33511	5.2
480.20935	2.2
489.91144	2.4
509.35776	6.5
527.37341	64.3
528.37524	5.1
545.38464	37.5
622.99194	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	756.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01871	3.5
55.05513	19.7
56.92801	1.3
57.03436	18.7
57.07070	1.4
60.08152	4.2
61.02917	1.8
65.03933	2.8
67.05505	61.6
69.03430	3.4
69.07072	13.9
71.04991	4.0
71.07355	2.3
71.08640	1.7
71.50499	2.1
79.05497	45.7
81.03421	80.1
81.07058	59.4
82.03768	1.5
83.04971	8.1
83.08621	20.6
85.02892	1.8
85.06544	3.4
86.09708	19.5
91.05482	38.1
91.06026	2.7
93.07047	45.4
95.04969	27.5
95.08607	43.3
97.02877	3.7
97.06545	4.1
97.10170	7.9
98.98466	2.6
99.08099	2.2
104.10746	2.2
105.04530	1.3
105.07034	28.7
107.04984	7.5
107.08595	26.8
109.06532	3.5
109.10158	19.9
111.04446	1.9
111.08078	5.0
112.25978	1.1
112.27007	1.2
117.07041	7.3
119.04923	1.6
119.08589	25.3
121.02898	1.1
121.06500	3.6
121.10149	20.8
123.04387	1.4
123.08055	3.2
123.11716	5.8
125.00010	14.3
125.09605	4.8
129.07028	10.3
131.08577	16.6
133.06497	4.6
133.10136	15.8
135.08154	1.7
135.11703	11.9
137.09636	3.4
142.07797	2.0
143.08574	3.1
145.10130	10.3
147.08075	4.5
147.11678	11.1
149.09615	5.7
149.13287	8.0
151.11118	1.4
152.56656	1.2
157.10141	9.2
159.11711	8.0
161.09604	1.7
161.13264	5.6
163.11153	2.7
163.14870	3.1
165.12840	2.1
169.10063	1.7
171.11731	1.8
173.11914	1.6
173.13202	6.0
175.11224	8.4
175.14832	2.9
177.12788	1.2
184.07341	65.1
185.13181	1.7
187.14804	3.4
189.11241	3.5
189.12749	1.3
193.12247	20.9
199.14880	1.6
201.16440	1.5
211.13287	3.9
227.12729	7.0
233.22784	1.5
243.21115	4.3
245.72826	1.2
249.14809	2.9
261.22110	19.5
267.15927	100.0
268.16376	2.3
279.23279	1.9
299.15030	2.9
301.25247	7.2
317.24863	2.9
335.25809	87.1
336.26138	2.8
368.02499	1.4
435.27405	2.6
435.32736	4.6
453.33585	8.0
471.34677	3.3
503.49356	1.6
527.37329	53.7
528.37848	2.5
545.38324	33.9
546.38361	2.1
559.36237	1.5
569.38458	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	2.4
53.03944	3.5
55.01870	3.4
55.05514	19.7
55.05771	0.7
57.03441	12.3
57.07058	1.8
59.04978	2.3
61.02930	3.9
65.03911	2.5
67.05506	47.2
69.03394	1.6
69.07066	12.4
69.59405	3.4
71.01339	1.0
71.04954	2.0
71.08598	1.0
72.37939	0.5
73.02908	1.3
79.05495	31.4
81.03421	4.1
81.07058	50.0
83.04972	2.5
83.08622	12.6
85.02901	3.9
85.06516	2.1
86.09670	2.1
86.20724	0.5
91.03967	1.3
91.05482	30.0
93.07045	40.7
95.04977	5.5
95.08608	33.1
97.02388	0.5
97.02895	6.1
97.06522	4.5
97.10152	3.0
98.20780	1.0
98.98448	0.6
99.00818	15.2
99.04395	0.7
99.08090	1.2
103.05463	1.2
105.04556	0.8
105.07034	25.1
107.04959	5.6
107.08595	22.3
109.02878	11.8
109.06528	3.2
109.10161	15.3
111.04411	1.3
111.08095	3.6
113.09624	0.6
115.03908	2.5
115.05418	1.0
117.07023	5.4
119.04889	0.8
119.08585	17.3
121.05755	0.8
121.06497	6.3
121.10146	15.8
121.27380	0.5
121.65755	0.5
123.04391	1.8
123.08042	2.1
123.11716	6.9
124.99982	1.6
125.09616	1.2
127.03872	2.1
128.06239	1.0
129.06972	1.9
131.08565	8.8
133.06483	1.7
133.10133	37.0
134.10481	0.9
135.08017	2.1
135.11697	10.3
137.05968	1.3
137.09592	2.0
137.13225	1.3
139.07506	2.8
143.08575	5.5
144.22224	0.6
145.06480	0.9
145.10130	7.7
147.08041	1.8
147.11658	5.2
149.09613	1.1
149.13287	5.2
151.11177	10.5
153.06940	0.8
157.10248	0.5
159.11688	4.1
161.09624	17.4
161.13268	2.9
163.11177	1.3
163.14880	2.6
165.09140	1.2
168.04758	0.5
171.08029	3.2
171.11731	0.8
173.13280	4.6
175.14815	1.3
177.16403	1.1
179.10678	8.6
184.07352	6.7
187.14818	2.2
189.09114	8.4
197.11671	2.6
197.22359	0.7
201.16426	1.2
207.10214	3.0
225.11229	14.9
227.12881	1.0
243.12407	2.8
243.21042	4.7
256.73267	0.5
259.20633	0.7
261.22134	17.3
277.21530	1.7
279.23257	0.6
281.13889	4.3
299.14893	82.1
300.15155	1.6
315.23260	2.8
317.24744	3.5
333.24347	1.2
335.25803	100.0
336.26321	3.2
421.30948	0.8
439.31989	0.9
449.30627	1.8
457.33255	0.8
467.31226	3.3
485.32520	2.1
513.35791	1.5
515.37189	1.1
531.37036	1.7
541.35187	8.7
559.36316	52.0
560.36566	2.0
577.37268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.6
53.03946	4.0
53.89156	0.7
55.01869	4.3
55.05513	21.8
57.03190	1.0
57.03440	11.9
57.07077	1.9
58.43614	0.7
59.04991	3.1
61.02944	4.0
65.03928	2.5
67.05506	44.3
68.14201	0.7
69.03410	2.2
69.07073	11.3
69.20320	7.0
69.96080	0.7
71.01326	1.1
71.04980	1.5
77.47505	0.6
79.05494	31.8
81.03415	4.7
81.07058	45.9
83.04966	2.9
83.08619	12.8
85.02903	4.1
85.06522	2.1
86.09687	2.2
91.03965	1.4
91.04900	1.4
91.05482	30.0
93.07045	39.0
95.04968	4.9
95.08604	28.1
97.02893	6.9
97.06525	4.4
97.10182	4.0
99.00814	17.8
99.04475	0.8
99.08074	1.4
103.05496	1.0
105.04554	0.9
105.07031	25.5
107.04953	5.8
107.08597	21.6
109.02880	12.5
109.06506	3.5
109.10152	19.0
111.04433	2.2
111.08070	4.3
115.03905	2.5
115.05473	0.8
117.07027	6.5
119.08585	14.0
121.06496	6.0
121.10145	11.5
123.04482	0.8
123.08086	1.2
123.11698	6.8
125.00002	1.3
125.09628	1.1
127.03902	2.3
128.06190	1.6
129.06967	1.8
130.25473	0.8
131.08578	7.7
133.06485	2.0
133.10130	40.5
135.08055	2.2
135.11691	9.4
137.05963	1.6
137.09613	2.4
137.13165	1.4
139.07535	2.5
143.08528	4.8
145.06586	1.3
145.10146	5.6
147.08044	1.0
147.11710	4.9
149.13272	4.6
151.11200	10.1
152.21027	0.8
159.11708	3.6
161.09619	19.4
161.13237	1.5
163.07532	0.9
163.11156	1.1
163.14853	2.7
164.19058	0.8
171.08061	3.5
171.11665	0.9
173.13258	3.2
175.14746	1.6
177.16380	1.2
179.10698	8.5
184.07323	6.0
187.14784	1.7
189.09120	9.4
189.10896	1.5
197.11699	3.4
201.16335	0.9
207.10153	3.3
225.11237	17.4
227.13004	0.8
243.12288	3.6
243.21138	6.7
254.96307	0.8
258.76852	0.8
261.22150	17.3
277.21765	1.3
279.23178	1.1
281.13800	5.1
287.23712	0.8
299.14893	100.0
300.15179	1.8
315.23203	3.5
317.24612	1.4
335.25812	77.3
336.26236	1.6
416.61771	0.9
449.30621	1.7
457.32773	1.2
467.31671	4.5
485.32541	2.5
513.35583	2.3
515.37268	1.0
531.36737	1.1
541.35077	4.8
559.36353	33.7
574.69818	0.9
774.85352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01868	3.2
55.05518	12.3
57.03433	8.2
57.89565	0.8
65.03957	2.0
67.05508	19.2
69.03422	4.1
69.07066	5.1
70.06591	1.5
71.04993	4.3
71.14823	1.4
71.15147	1.5
79.05502	20.0
81.02937	2.2
81.03419	43.6
81.07059	17.1
81.11572	0.9
83.04980	3.4
83.08627	12.9
84.59119	1.0
85.02892	2.0
85.06514	1.7
91.05489	13.1
93.07045	15.1
95.04969	19.5
95.08614	8.3
97.02888	2.4
97.06541	2.9
97.10172	11.9
105.07029	11.7
107.04969	12.4
107.08604	11.8
109.06525	7.2
109.10178	5.5
111.04458	1.6
111.08077	5.3
113.27018	1.0
115.05435	1.3
117.07019	5.1
119.04937	1.7
119.08601	9.5
121.06503	11.7
121.10149	6.8
123.04448	1.7
123.08075	4.3
125.09647	15.0
129.07024	7.2
131.04935	1.3
131.08574	9.7
133.06476	4.5
133.10141	4.7
135.08022	5.2
135.11691	2.2
137.05960	1.2
137.09558	1.1
139.11156	1.2
142.07782	1.3
143.08589	3.2
145.06516	5.4
145.10120	4.5
147.04396	1.3
147.08061	4.5
147.11691	6.0
149.05971	1.0
149.09625	4.7
153.09093	3.7
155.08521	1.9
157.06520	1.5
157.10143	7.3
159.11685	1.4
163.11227	3.6
165.12708	1.1
169.10091	1.9
171.08038	1.7
171.10300	2.0
171.11656	2.2
173.13242	1.8
175.11165	6.1
177.12717	1.9
179.08467	1.0
181.10191	1.2
185.09801	1.2
187.11227	1.2
189.11209	4.1
189.12715	1.6
191.14297	1.4
193.12251	16.8
199.11191	1.6
201.12759	1.0
205.12201	2.1
211.13211	2.2
215.14381	1.5
217.12325	1.8
219.13850	4.7
223.13350	1.1
225.12805	1.3
227.12799	2.9
233.15364	2.6
235.13287	2.0
237.12712	1.6
249.14799	2.3
255.13982	1.8
257.15390	1.0
259.13242	1.5
267.15921	42.4
273.14734	5.2
293.17563	1.5
339.23013	3.0
349.21628	4.1
357.24225	2.4
367.22668	15.8
385.23761	25.1
403.24719	7.5
417.26541	1.5
432.25430	1.3
441.26544	9.3
459.27432	100.0
460.28046	6.1
477.28491	88.4
478.28714	3.4
491.30167	12.7
501.28058	2.3
509.31311	4.5
560.46442	1.3
567.29376	1.9
594.32129	1.5
750.49524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.32203	0.8
56.05028	1.5
56.41086	0.8
59.04999	4.7
67.05504	1.3
69.03427	1.9
70.02943	0.9
70.06585	8.2
71.04967	1.3
71.50015	1.3
71.72372	0.8
72.08150	1.9
73.02917	2.0
73.06529	2.7
74.06084	1.4
79.05435	0.9
81.03424	2.0
81.07018	1.1
84.04517	1.6
84.08137	3.1
85.02877	1.6
86.09698	4.0
87.04462	18.8
87.82594	0.8
89.06030	100.0
90.92871	0.7
91.05480	2.1
93.07044	1.3
95.04998	0.8
95.08576	1.0
101.05955	0.9
103.07595	1.5
107.07054	2.0
107.08582	1.5
109.02869	1.2
109.10105	0.8
110.07137	0.9
117.09177	1.3
119.04927	1.8
120.08092	1.6
123.04441	4.0
127.03896	1.9
129.10210	1.7
130.08638	1.4
131.07016	5.2
133.08600	57.6
135.04428	1.6
136.07552	2.7
137.02310	0.9
137.05937	1.0
147.04425	1.6
147.10121	1.5
151.03922	1.4
151.09576	0.9
154.08582	0.9
175.03859	0.8
175.09703	4.4
177.05415	1.3
177.11227	19.7
219.12238	1.8
221.05872	0.8
221.13814	3.9
265.16495	1.3
283.17468	1.0
351.52985	0.8
353.21564	1.1
377.55060	0.9
656.94965	0.9
679.39789	1.1
718.46387	1.2
754.44275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.05515	28.2
57.03442	7.7
67.05505	63.3
69.07056	20.1
75.10836	4.0
79.05080	7.4
79.05495	92.8
81.03402	9.7
81.07057	65.1
83.04976	8.1
83.08620	6.1
85.06520	8.2
86.09682	7.9
91.05476	88.7
92.33281	4.4
93.07047	100.0
95.04993	25.1
95.08622	38.5
97.06517	9.1
105.07030	86.1
107.04950	11.2
107.08589	32.0
108.66047	4.7
109.06499	6.0
109.10133	13.4
117.07003	17.3
119.08579	57.2
121.10139	20.6
123.08052	7.3
125.00007	5.3
128.06216	9.4
129.07018	22.4
131.08583	24.4
133.10110	34.3
135.11702	17.8
143.08546	18.3
145.10139	24.9
147.08076	6.4
147.11690	62.6
149.13242	8.6
157.10085	8.1
159.11673	19.7
161.09627	4.0
161.13297	30.0
169.10013	5.8
171.11710	34.5
173.13271	10.5
175.14792	8.9
184.07298	22.9
185.13231	6.0
189.12772	10.6
191.81015	3.7
207.13840	19.8
213.16374	6.6
231.21101	5.4
241.19463	25.0
259.20593	65.3
261.22052	4.3
279.15921	16.6
281.17444	59.9
287.94986	5.0
312.22144	4.0
315.23129	9.8
333.24222	48.5
355.16995	4.5
447.32700	8.5
465.33789	7.6
539.37311	73.7
557.38409	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	754.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
55.01864	5.1
55.05520	25.2
57.03437	10.1
59.05002	4.3
65.03948	4.3
67.05505	75.3
68.65220	3.6
69.07068	16.3
69.73186	26.9
71.05003	7.1
79.05016	6.1
79.05489	100.0
81.03416	10.3
81.07050	61.8
83.04985	16.9
83.08622	16.8
86.09714	12.4
91.05481	96.8
93.07045	85.1
95.04980	18.9
95.08607	42.3
97.06528	7.6
97.10170	10.3
98.21526	6.3
103.05479	6.1
104.63012	4.1
105.07029	82.2
107.04906	7.1
107.08584	38.5
109.06469	6.9
109.10165	17.0
117.06985	27.9
119.08576	75.5
121.10151	25.2
124.99981	6.5
128.06252	5.6
129.07065	23.1
131.08551	28.7
133.06447	5.3
133.10149	41.7
134.94591	3.9
135.11690	21.5
143.08577	16.0
145.10103	27.7
147.11696	66.2
149.13264	11.3
157.10114	14.5
159.11726	23.6
161.09645	4.8
161.13251	43.4
163.14799	4.7
171.11693	34.7
173.13206	11.7
175.14835	12.6
181.10353	4.6
184.07355	30.3
185.13275	10.5
189.12767	9.8
199.14908	5.9
207.13887	17.0
213.16447	4.4
231.21155	8.7
241.19519	29.7
257.19073	6.3
259.20599	71.8
279.15912	19.8
281.17459	64.9
289.00568	4.8
333.24203	26.5
335.25940	5.2
388.40320	4.5
425.36203	4.0
447.32391	9.9
465.33463	9.2
539.37305	57.5
557.38672	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	754.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01876	8.1
55.05515	8.9
57.03434	3.4
57.03927	1.5
57.07072	2.2
67.05506	22.5
69.07080	12.9
69.82516	6.6
71.04989	2.7
72.69769	1.8
79.05492	19.9
81.03439	5.3
81.07059	27.0
82.95072	1.5
83.04978	5.2
83.08620	4.3
85.06538	2.0
86.09707	8.6
91.05486	20.5
93.07039	22.5
94.07366	1.7
95.01321	2.2
95.04958	6.5
95.08610	26.7
97.06539	13.8
98.98479	2.3
103.31432	1.8
105.07043	29.2
107.04961	13.0
107.08590	19.0
109.06536	3.3
109.10162	6.1
117.06998	8.1
117.77161	1.5
119.08582	19.9
121.06503	3.8
121.10136	7.4
123.08022	2.9
123.95444	1.5
125.00022	4.9
125.05977	1.5
125.09647	1.7
131.08575	9.5
133.10129	15.4
135.08105	1.8
135.11700	22.1
140.96745	1.8
143.08554	1.9
145.10114	18.7
147.11658	4.2
149.09644	2.4
159.11679	4.0
161.13239	2.1
163.11189	30.1
165.09129	2.4
169.66353	1.8
171.11644	2.0
179.14337	5.9
181.12254	5.4
184.07350	27.8
187.11232	2.2
198.00603	1.8
227.12770	27.8
257.18973	2.5
275.20062	33.9
276.20541	2.4
280.88297	1.5
283.15399	43.1
293.21072	3.1
349.23740	22.6
368.72235	1.5
557.34747	100.0
558.34772	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	752.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01843	1.6
55.05515	8.5
55.12084	1.1
55.55262	1.1
57.03443	15.1
57.07082	29.8
59.05005	1.6
60.08151	3.0
67.05508	16.1
69.07086	8.3
69.07404	2.0
71.07368	2.4
71.08297	1.7
71.08636	19.0
71.14857	2.3
77.33875	1.2
79.05496	8.8
81.03423	61.0
81.06601	1.6
81.07062	22.0
83.04970	4.1
83.08622	18.7
85.02924	1.8
85.10188	12.4
86.09708	14.6
87.63611	1.2
91.05484	12.9
93.07040	7.1
95.04974	17.7
95.08621	17.2
97.02881	1.9
97.06540	1.5
97.10168	5.2
105.07043	11.0
107.04916	4.5
107.08582	5.1
109.06520	1.8
109.10160	10.5
111.08077	5.8
117.07033	2.1
119.08595	8.5
121.06503	1.5
121.10143	5.2
123.11716	3.0
124.99995	9.7
129.07021	6.2
131.08540	5.6
133.06432	2.3
133.10147	6.5
137.05972	1.9
142.07779	1.4
147.08046	3.1
147.11699	6.3
149.09575	3.0
157.10117	8.2
165.12802	2.1
175.11200	7.9
178.59532	1.4
184.07344	48.3
193.12248	22.5
249.14865	1.8
253.75858	1.2
267.15930	100.0
268.16284	2.9
295.19150	1.9
309.17081	2.0
313.27383	96.8
314.27664	3.0
335.25787	9.3
385.10541	1.6
505.38916	82.8
506.39093	5.6
514.60229	1.3
523.40155	2.1
547.39453	2.7
555.40424	5.1
688.44824	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	752.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01873	12.7
55.05515	13.6
57.03424	3.3
57.07076	1.6
59.05009	0.9
61.60500	1.1
65.03941	1.9
66.94038	1.0
67.05507	28.8
69.07074	18.4
71.04982	1.8
73.06564	1.4
79.05498	33.5
81.03424	6.0
81.06597	1.8
81.07059	34.6
83.04983	6.9
83.08619	4.9
84.47897	1.0
85.06532	1.3
91.05483	44.7
93.07043	30.1
93.07636	1.2
95.01309	4.1
95.04974	11.7
95.08075	1.5
95.08617	19.8
97.06532	22.8
97.10147	1.9
97.46654	0.9
98.60027	1.1
99.08115	1.1
103.05473	1.3
105.04487	1.4
105.07034	47.1
107.04971	10.0
107.08611	12.3
109.06522	2.9
109.10194	4.5
111.08076	1.1
113.09595	1.2
117.07010	8.5
119.08588	24.6
121.06525	2.3
121.10152	6.1
123.04459	1.2
123.08073	4.1
127.07597	1.1
129.06987	6.4
131.07907	0.8
131.08583	8.6
133.10150	22.4
135.08060	2.4
135.11674	4.2
137.09601	1.8
139.07524	1.2
143.08565	4.6
145.06526	1.4
145.10121	9.9
147.11696	14.7
149.09615	5.1
149.13266	1.9
151.11214	1.2
157.10147	1.6
159.11743	4.8
161.09625	2.1
161.13280	6.2
163.11200	3.3
163.14885	1.0
165.09105	3.2
169.10133	1.4
171.11670	7.5
173.13284	2.1
177.12692	2.0
179.14304	7.8
183.11650	1.0
184.07297	1.5
189.12697	2.1
197.13312	1.0
207.13863	6.0
226.94946	1.1
247.20634	1.5
257.19022	4.0
263.16464	1.2
275.20071	46.9
279.15842	1.9
281.17490	30.6
293.21091	3.0
349.23706	19.9
477.17267	1.1
477.38834	1.0
537.35339	2.2
555.36847	100.0
556.37256	7.1
682.97552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01872	19.8
55.05511	13.7
56.53326	0.8
57.03440	4.6
57.07060	1.4
65.03936	1.5
67.05507	30.4
69.03419	1.2
69.07066	19.8
70.58124	2.8
71.04975	2.0
75.62101	1.0
79.05492	35.9
81.03418	5.0
81.07058	35.9
82.07372	1.2
83.04974	7.7
83.08611	5.5
85.06561	1.7
91.05484	44.8
93.07041	34.4
95.01327	5.6
95.04967	10.4
95.08607	25.3
96.36455	0.9
97.06530	29.6
97.10159	3.1
99.08101	1.3
103.05452	1.4
103.07595	1.1
105.04523	1.5
105.07031	54.9
107.04961	12.0
107.08586	12.5
109.06522	3.8
109.10124	5.0
111.08091	1.8
115.05454	1.6
117.07002	9.0
119.07713	1.5
119.08574	28.9
121.06524	2.7
121.10178	4.6
123.04428	2.6
123.08052	4.6
125.09639	1.5
129.07011	4.8
131.08545	11.8
133.06459	1.0
133.10133	28.6
135.08066	3.1
135.11697	4.9
137.09532	1.1
139.07570	0.9
141.06995	1.3
143.08548	3.6
145.06454	1.3
145.10130	11.4
147.08061	1.7
147.11696	19.6
149.09627	7.4
149.13234	2.2
151.11235	1.7
157.10133	2.0
159.11697	8.4
161.09628	1.3
161.13252	8.5
163.11174	5.1
165.09126	1.8
169.10133	1.9
171.11691	7.4
173.13304	2.3
175.14842	1.5
177.12802	2.9
179.14319	6.4
181.61456	0.9
183.11716	1.3
184.07312	1.4
187.11121	1.5
189.12749	3.2
195.13878	1.3
205.12144	1.3
207.13799	5.4
225.14632	1.0
239.18024	1.1
247.20544	2.3
257.18982	3.6
259.20599	1.3
263.42966	0.9
275.20056	51.5
276.20468	1.5
279.15811	1.7
281.17480	42.9
293.21069	3.6
349.23734	19.6
377.23221	1.4
459.31122	2.2
537.36346	1.8
555.36829	100.0
556.37238	5.6
573.37708	2.2
752.43188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.9
53.03954	7.7
55.01872	4.9
55.05267	2.2
55.05514	22.1
57.03439	17.2
59.05000	3.3
61.02915	2.1
65.03939	3.8
65.47100	1.3
67.05179	2.3
67.05510	29.8
69.03434	6.9
69.07066	6.7
70.06598	3.0
71.01354	2.2
71.04980	6.4
71.49421	2.3
73.02905	1.4
79.05493	24.3
80.43829	1.3
81.03423	94.5
81.07059	33.1
83.04983	11.8
83.08150	2.7
83.08624	35.0
85.02907	9.0
85.06528	3.3
91.05486	47.5
93.07050	22.7
95.04969	25.9
95.08625	11.4
95.77890	1.3
97.02897	9.2
97.06532	4.7
97.10168	6.5
99.00830	16.9
102.55273	1.4
103.05438	1.8
105.07041	32.4
107.02157	1.4
107.04955	18.7
107.08597	15.2
109.02895	22.8
109.06533	7.4
109.10162	7.5
111.04442	5.5
111.08099	14.1
113.05972	3.1
115.03930	1.6
115.05429	1.8
117.07019	6.2
119.04948	2.3
119.08586	28.3
121.06523	11.4
121.10152	7.3
123.04430	7.3
123.08055	3.8
123.11704	2.3
125.05982	2.2
125.09655	6.8
127.03905	4.2
128.06223	3.9
129.05481	2.5
129.07042	10.8
131.08585	11.2
133.06477	6.0
133.09128	3.0
133.10139	48.8
135.08115	2.4
135.11702	2.4
137.06012	3.2
137.09572	2.7
139.03775	1.7
139.07510	2.5
142.07825	1.5
143.08582	6.2
145.06512	3.4
145.10187	3.1
147.04465	3.4
147.08057	5.6
147.11699	10.8
149.09607	6.9
151.11214	13.7
155.08511	1.8
157.10158	12.9
161.09639	30.5
163.07541	1.6
163.11189	2.7
165.09140	1.6
165.12714	2.8
166.67981	1.3
171.08064	5.5
171.11508	1.4
175.11186	12.2
179.10680	13.0
189.09125	13.4
189.11226	3.9
189.12766	1.8
193.12244	34.8
197.11754	2.7
205.12335	1.4
207.10208	5.2
211.13290	18.5
219.13818	11.2
225.11194	18.3
227.12779	3.3
243.12253	3.2
249.15163	2.1
267.15942	100.0
268.16339	2.0
281.13861	9.1
285.16849	4.8
299.14917	79.9
313.16428	9.3
322.20187	1.5
355.17447	1.6
361.21463	1.4
363.19373	1.7
371.22101	2.4
381.20761	5.2
389.23254	2.9
399.21399	2.0
429.21487	9.5
429.26233	1.8
445.25958	11.9
447.27686	1.9
455.24005	3.9
463.26782	6.2
473.25333	48.9
477.28302	2.7
491.26434	92.4
492.26996	3.8
505.27814	17.6
509.27505	64.6
510.27768	3.4
590.36835	3.4
653.31592	12.6
752.41040	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	751.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05513	19.3
57.03435	10.9
57.06837	3.3
57.07079	43.9
59.05012	3.0
61.02917	6.0
61.84996	2.7
65.03939	2.8
67.05504	46.1
69.03423	5.2
69.07056	16.7
71.04977	3.4
71.08634	30.2
73.11815	2.7
79.05499	28.7
81.03414	4.2
81.07063	50.4
83.04987	3.2
83.08636	14.8
84.08149	17.9
85.02890	7.4
85.06526	4.0
85.08470	4.2
85.10192	16.1
87.04451	7.5
91.05486	50.1
93.07047	44.3
95.04951	7.4
95.08611	47.9
97.02884	9.0
97.10184	7.2
97.98753	2.8
103.05442	2.9
105.07035	47.2
107.08605	21.7
109.06516	2.7
109.10170	18.0
115.99932	2.5
116.06942	2.3
117.07019	16.1
119.08579	43.7
121.10152	18.7
123.07967	2.5
123.11700	4.6
129.07013	13.4
130.08643	17.1
131.08553	25.0
133.10147	36.4
135.11710	16.5
137.13260	2.6
143.08554	11.9
145.10114	25.5
147.11688	41.5
149.09660	4.2
149.13237	11.6
155.08549	3.1
157.10104	10.3
159.11703	18.1
161.13258	27.8
164.54520	2.7
169.10118	5.1
171.11703	12.2
173.13280	14.0
175.11116	3.9
175.14815	14.6
177.12744	2.7
181.89374	2.5
184.07388	3.9
185.13278	11.9
187.14824	2.6
187.25250	2.5
199.14868	6.9
201.16426	2.7
213.12500	3.0
213.16397	3.9
229.34303	3.0
231.21066	6.3
241.19522	34.3
257.18851	3.0
259.20590	83.4
301.21579	6.2
313.27386	100.0
315.23123	7.3
333.24231	43.5
339.23013	4.0
367.22717	8.0
385.23651	5.5
403.24564	3.5
451.47198	2.8
459.27704	2.9
515.89240	2.8
571.46967	11.0
589.48370	31.6
613.48859	3.5
644.69440	3.3
679.49207	7.7
697.50360	5.1
733.52228	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	749.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.06901	0.7
55.05508	2.2
57.03437	3.3
61.02915	4.4
67.05508	5.4
69.03425	2.4
69.07077	1.6
71.04986	1.5
71.49493	0.9
71.49877	1.0
73.02901	2.8
79.05492	5.7
81.03428	4.3
81.07065	5.7
83.04974	1.5
83.08602	1.4
85.02909	4.4
91.03949	1.8
91.05485	3.5
93.07057	5.2
95.04950	1.4
95.08620	2.0
97.02915	3.8
97.06531	1.7
97.10187	1.3
101.02365	1.7
105.07044	2.7
107.08610	3.5
109.02919	1.1
109.10170	2.0
110.78208	0.8
117.07010	1.7
119.08599	2.9
121.10151	1.3
123.08006	0.9
127.03904	1.3
131.08615	1.3
133.10141	2.1
135.11729	3.7
145.10088	1.4
184.07356	1.1
221.11519	1.1
243.08522	2.2
277.26202	0.7
333.20499	0.9
413.18091	1.1
439.19470	7.8
453.21045	1.3
551.28418	3.7
749.40814	100.0
750.40985	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	749.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01858	0.8
55.05509	1.6
57.03439	2.1
57.07077	2.9
59.04993	0.5
61.02925	6.9
62.01037	0.4
67.05507	7.0
69.03432	3.4
69.07060	1.3
71.01330	0.5
71.04989	2.3
71.08628	1.6
73.02918	4.7
79.05490	3.7
81.03423	2.4
81.07057	5.5
83.04976	0.6
83.08622	1.1
85.02905	5.6
85.10188	1.8
86.09702	0.5
86.10506	0.6
87.04460	0.9
89.06037	1.5
89.25413	0.3
91.03942	3.6
91.05478	2.7
93.07047	4.3
95.05001	0.7
95.08607	4.1
95.95892	0.3
97.02896	5.6
97.06535	0.3
97.10149	0.4
98.21521	0.8
99.04463	1.1
99.11722	0.5
101.02367	2.2
103.03983	0.7
105.07040	1.5
107.08597	2.4
109.02912	1.3
109.10137	2.7
111.04473	0.4
115.03910	0.5
117.07056	0.6
119.08601	1.2
121.10149	1.5
123.11638	0.4
125.00025	0.5
127.03905	1.2
131.08539	0.6
133.08647	0.8
133.10161	0.4
135.11725	1.4
137.09650	1.0
137.67468	0.4
145.10167	0.8
147.11694	0.5
149.13248	0.5
153.48759	0.3
159.11780	0.4
163.11247	0.4
166.75920	0.3
184.07350	1.8
185.04250	0.5
193.12296	0.6
236.70737	0.4
243.08406	2.2
253.14191	1.7
267.16125	0.7
313.27567	1.2
322.98117	0.4
335.25882	0.6
338.72089	0.4
439.19592	0.4
471.22101	3.9
519.29327	8.7
749.44458	100.0
750.44867	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	751.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	17.7
55.01865	10.9
55.05509	52.7
57.03429	18.3
57.07057	6.2
65.03928	5.6
67.05507	93.0
69.03418	17.2
69.07072	31.3
71.04972	6.6
71.50565	5.6
72.87252	4.3
77.73670	4.5
79.05492	100.0
81.03416	47.8
81.07052	71.4
83.04986	24.3
83.08630	23.7
85.02892	17.8
86.09699	9.4
91.05486	70.2
93.06503	6.6
93.07048	77.2
95.04961	32.3
95.08608	53.1
97.02880	12.5
97.06517	11.9
97.10185	25.5
99.04407	4.8
103.05415	6.1
105.06400	5.9
105.07032	61.2
107.04948	12.8
107.08594	40.1
109.02856	5.2
109.06538	6.7
109.10142	14.4
111.04459	4.2
111.08059	7.0
117.07036	22.8
119.08576	37.2
121.10117	15.6
123.04449	6.6
123.08080	22.5
125.09634	24.1
127.03869	4.8
128.06094	4.3
129.06999	19.2
131.08578	26.9
133.06421	5.1
133.08554	6.1
133.10138	25.3
135.08063	9.2
135.11714	10.7
137.09590	7.2
143.08530	14.3
145.10143	25.7
147.08017	12.4
147.11693	30.7
153.09149	4.4
157.10144	11.6
159.11659	10.8
161.09572	9.2
161.13240	14.7
165.00092	7.5
165.09145	5.3
169.23764	3.9
171.11682	19.0
173.09567	4.9
175.11174	6.4
183.01068	4.3
184.07378	22.4
185.13269	4.8
186.07758	5.4
189.11195	11.6
189.12729	10.7
193.12209	12.0
207.13852	21.1
211.13373	10.0
223.13217	7.0
227.12755	14.8
249.14944	9.1
261.22058	7.1
267.15887	12.2
273.18610	21.0
275.19815	5.6
281.17484	51.6
284.97241	4.4
291.19574	84.0
313.76056	3.9
335.25784	6.8
360.15475	4.8
365.23227	25.3
391.82434	5.0
393.61469	4.4
451.27081	5.4
473.14478	5.5
473.29053	34.7
553.35437	6.0
571.36267	69.0
635.33521	6.8
751.42816	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	748.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.07077	35.6
58.06605	1.0
59.05002	14.6
60.08169	4.1
61.02921	0.7
67.05499	2.4
69.03423	1.0
69.07059	3.5
69.98916	0.6
71.05014	0.7
71.07368	2.5
71.08632	60.7
72.78520	0.6
73.02922	2.2
73.06564	4.6
79.05480	1.4
81.03428	1.2
81.07074	2.1
82.03726	0.6
83.08652	0.6
85.02868	0.7
85.10184	34.8
86.09707	26.0
87.04469	15.8
89.06033	100.0
91.05474	1.2
91.07597	0.7
93.07053	1.6
95.08611	1.5
97.02899	1.0
97.10188	0.8
98.98498	2.4
103.07588	5.4
104.10764	1.8
104.25562	0.7
105.07042	1.9
107.07075	1.6
107.08613	1.0
111.11741	0.9
113.05968	1.3
115.87896	0.7
117.09158	3.6
117.09898	0.7
119.08604	0.9
125.00003	14.8
127.03886	0.6
127.14844	4.9
130.08681	2.1
130.89276	0.6
131.07042	6.3
133.08606	64.5
161.11763	1.5
165.67406	0.6
175.09647	5.4
177.11223	27.3
179.12823	0.8
184.07344	78.2
185.07796	1.3
185.19031	5.2
200.74854	0.7
219.12340	1.4
221.13806	4.9
223.15381	0.8
229.21608	5.1
243.08415	0.8
265.16547	2.0
272.80457	0.6
280.66965	0.7
283.17636	1.9
309.19080	0.9
439.19522	1.3
440.19720	1.4
459.27023	0.7
529.30579	0.7
547.33398	4.5
550.26709	0.7
712.45972	3.5
730.38702	2.9
748.39771	27.6
748.54224	2.8
749.40350	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01863	4.5
55.05507	5.6
57.03429	0.6
57.07076	11.5
58.48598	0.3
62.06073	1.0
67.05508	9.2
69.03436	0.5
69.06734	0.4
69.07071	5.7
69.36691	1.5
69.37121	1.3
71.04960	0.4
71.08632	8.2
79.05495	5.1
81.03405	0.5
81.07056	26.9
83.04978	3.2
83.08618	3.9
85.10184	3.4
86.09705	0.6
91.05473	2.7
93.07047	4.1
95.04950	0.8
95.08607	11.8
97.06523	0.7
97.10160	1.2
98.98505	0.8
101.09682	0.5
105.07028	2.7
107.08582	4.3
109.05809	0.6
109.06516	9.6
109.10150	5.5
111.04446	17.4
111.08088	1.1
113.05962	0.7
113.85899	0.3
117.06990	0.6
119.08582	4.5
121.10153	4.4
123.08053	1.7
123.11700	2.9
124.36488	0.3
124.99940	0.6
125.06005	4.8
125.09596	0.4
128.06300	0.3
130.07797	0.3
131.08571	1.9
133.10126	5.2
135.08060	3.6
135.11678	4.6
137.05978	100.0
137.13268	1.6
138.06320	1.1
139.07529	0.6
142.07790	0.5
143.08549	1.4
145.10129	1.6
147.08037	1.5
147.11694	6.1
149.09601	3.7
149.13222	1.8
151.07549	2.7
151.11189	1.2
153.09131	0.4
155.01036	0.6
157.10115	2.0
159.11652	1.1
161.09634	7.3
161.13260	2.3
163.11174	3.4
163.14790	1.0
165.09149	2.1
165.12738	0.9
167.10672	1.0
171.11691	1.3
173.13293	0.6
175.11176	6.8
175.14859	1.4
177.12720	0.8
179.10654	1.9
181.12244	0.9
184.07339	2.4
185.13370	0.5
189.12726	1.4
193.12289	1.8
197.13239	0.4
198.46785	0.3
203.17949	6.3
205.19492	0.6
207.13789	0.7
213.16415	3.0
221.19038	2.0
223.14751	0.4
231.17436	8.0
239.23717	0.4
241.15883	1.1
249.18486	7.1
267.15921	0.6
276.19592	0.7
277.17984	55.2
278.18304	1.4
282.27902	3.3
295.19046	5.6
313.27365	18.8
320.22165	5.9
351.21671	11.0
351.25943	0.7
418.27332	0.4
431.18112	0.5
436.28253	0.6
454.29428	0.7
464.99484	0.5
505.38898	0.6
537.70300	0.4
589.44611	84.5
590.44916	4.5
600.76764	0.4
607.35663	0.8
607.45630	14.9
608.46149	0.9
712.44983	0.9
730.46362	2.1
748.47272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01867	3.7
55.05505	1.7
65.03949	6.2
67.05488	3.2
69.03427	4.8
69.07069	2.1
69.46024	6.5
70.06602	6.4
71.04951	1.1
72.08152	1.3
75.04488	2.6
78.04716	2.4
79.05486	5.3
81.03410	3.3
81.07056	2.8
84.08137	2.7
85.02906	7.1
86.09703	4.2
89.06027	1.3
91.05485	14.8
93.03410	9.3
93.07047	2.9
95.04956	6.2
97.02927	2.2
97.06542	3.9
103.05460	26.1
103.06148	1.6
103.88602	1.1
105.03393	2.6
105.04529	1.7
105.07043	9.7
106.04176	15.6
107.04961	12.1
107.08617	1.2
109.02857	1.5
109.06514	2.6
109.10178	1.7
110.03713	2.0
111.04451	1.5
115.05450	5.8
117.07033	3.2
118.04155	6.2
119.04927	2.6
119.08575	2.1
120.08105	1.9
121.06506	20.1
121.10189	1.4
123.04447	5.3
123.08102	1.6
124.05215	1.7
125.06008	7.5
126.91425	1.1
127.03911	2.0
129.06999	1.2
131.04929	20.6
132.05736	2.9
133.02859	1.9
133.06500	9.1
134.03659	4.3
135.04398	2.7
135.08047	2.5
137.05984	6.9
139.03816	1.3
143.04912	1.3
144.05649	1.9
145.06494	5.3
147.04448	1.7
147.08046	2.3
148.05202	11.3
149.05989	30.9
151.03885	3.1
151.07562	3.9
152.04694	2.3
153.05510	3.2
153.09111	7.8
157.06374	1.3
159.08006	2.2
161.05983	10.9
162.01302	1.5
162.06834	1.7
163.03908	4.3
163.07541	26.1
165.05515	1.5
166.06171	1.4
167.07040	59.4
171.06566	1.6
173.06017	6.8
175.07552	3.5
176.04688	3.2
177.05478	23.3
177.09119	1.8
179.01643	1.3
179.07014	2.1
181.04962	80.1
181.08549	21.5
187.07523	4.4
190.00815	2.2
191.07039	100.0
192.07617	1.6
193.08638	4.1
195.06526	5.1
201.05434	1.5
203.06984	1.8
205.08655	4.6
207.06450	3.8
209.08096	94.5
217.08716	1.8
219.10120	7.3
221.08047	2.1
223.04237	19.1
225.07535	1.9
233.08031	6.9
235.07686	2.0
235.09654	5.5
244.78908	1.3
245.08095	2.0
263.09161	22.2
267.10150	4.2
297.11337	3.1
312.09061	4.1
325.10773	4.4
337.10742	1.4
339.12326	1.2
341.16977	1.4
355.11841	1.7
357.13361	7.3
369.13290	1.9
385.12714	11.8
387.14417	1.9
399.14490	4.5
417.15384	15.7
575.21533	1.5
609.22815	1.3
706.71143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67567	1.8
55.05499	5.3
57.03422	5.0
57.07076	100.0
58.04206	5.7
59.05001	36.6
59.40058	1.6
60.08165	2.8
61.02914	1.9
67.05489	7.8
69.07056	6.7
70.09946	9.0
71.08634	67.8
71.35329	2.1
71.36752	2.0
72.05765	10.7
73.02897	5.3
73.06560	19.3
75.56635	2.0
78.76622	1.6
79.05466	4.6
80.11036	1.9
81.07055	9.2
82.07826	1.9
83.08604	5.7
85.10184	61.5
86.09706	7.3
87.04472	15.8
87.08083	3.0
89.06028	23.4
90.01409	2.9
90.01921	30.9
91.05448	2.8
93.07015	2.5
95.08605	8.0
97.10178	4.9
99.11716	8.3
101.05996	2.7
103.07580	10.4
103.89227	1.8
107.08501	2.0
115.07497	1.8
116.08344	3.6
117.09144	20.6
121.10152	2.7
125.00003	8.8
133.08624	10.9
133.10158	2.0
137.05991	4.8
147.10179	3.4
155.17952	5.0
161.09604	1.9
161.11772	4.2
177.11163	3.0
178.07130	5.5
183.17436	3.6
184.07343	34.3
185.07600	5.8
186.75778	2.1
201.74741	1.7
208.15497	2.8
213.22125	10.7
222.09698	4.7
222.17056	3.2
233.71419	1.9
238.16620	2.5
252.17937	3.2
266.19769	3.9
271.16275	2.8
271.26422	4.4
277.18021	3.1
282.19189	2.0
296.20700	5.4
310.22238	6.5
313.20941	1.9
340.23260	4.1
340.29370	2.4
354.24881	3.2
370.24588	2.5
376.34192	2.6
420.36627	4.7
460.24109	3.2
464.39545	6.1
466.48492	2.3
508.42114	4.3
587.54144	1.8
589.44537	3.3
596.47192	14.9
656.50049	4.1
715.46844	5.7
747.44110	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01864	0.5
55.05506	1.2
57.03426	1.6
57.07056	0.4
61.02925	5.4
65.03942	0.4
67.05505	5.4
69.03426	3.3
69.07057	1.2
71.01367	1.1
71.04974	0.8
71.08644	0.5
72.42760	0.4
73.02920	4.7
79.05492	4.3
81.03412	1.6
81.07064	5.0
85.02899	5.5
86.09696	2.2
87.04449	0.6
89.06005	0.9
91.03944	3.9
91.05483	3.5
92.05805	0.4
93.07040	4.6
93.75800	0.4
95.04967	0.7
95.08605	3.8
97.02889	4.7
99.04462	0.8
101.02358	2.3
103.03952	0.6
105.07015	2.2
106.97665	0.5
107.08605	2.5
109.02903	0.8
109.10178	1.8
115.03888	0.4
119.08570	2.3
121.10149	2.6
121.18269	0.4
125.00039	1.1
127.03948	1.1
129.07048	0.7
131.08559	2.0
133.08607	0.5
133.10139	1.7
135.11697	1.0
135.71030	0.4
138.19501	0.4
145.04988	0.5
147.11668	1.0
149.09621	1.6
149.13390	0.4
153.09106	0.4
154.71211	0.4
157.10147	1.2
175.11308	0.5
184.07358	5.4
185.04323	0.6
203.05301	0.5
228.97997	0.5
243.08389	1.9
251.12621	1.7
258.87201	0.4
271.15594	0.6
335.25986	1.4
336.25980	0.5
469.20441	3.9
519.29272	8.7
532.37604	0.6
560.09747	0.4
747.42889	100.0
748.43054	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05509	1.5
57.03429	2.1
57.07088	0.8
60.08162	1.5
61.02934	3.0
67.05514	4.9
69.03429	2.1
69.07059	1.1
71.05009	0.7
71.07358	1.2
71.23273	1.2
71.95834	0.6
73.02917	2.9
79.05503	5.6
81.03425	2.2
81.07059	5.3
83.08620	1.7
85.02914	2.9
85.06509	0.5
86.09711	6.7
89.06053	0.9
89.30649	0.5
89.91777	0.6
91.03957	2.2
91.05503	3.5
93.07049	5.1
95.05009	0.8
95.08638	2.7
97.02881	3.4
97.06573	0.7
97.10172	0.7
98.98470	0.6
101.02387	1.2
104.10797	0.7
105.07028	2.7
107.07974	0.5
107.08585	2.6
109.10223	1.0
115.06779	0.5
117.07021	1.6
119.08598	2.2
121.10149	1.7
123.04437	0.6
125.00008	5.8
127.03933	1.4
129.07005	0.6
129.54074	0.6
131.08614	1.1
133.10155	2.3
135.11765	0.7
144.74960	0.5
145.10172	0.6
147.11702	1.1
149.13292	1.5
149.66724	0.5
159.11734	1.1
184.07350	23.4
185.07736	0.9
191.81760	0.5
199.16879	0.6
208.45387	0.6
235.13109	1.2
240.51578	0.7
241.35812	0.6
243.06302	0.6
243.08514	2.5
291.15970	0.5
301.09100	1.1
453.21030	8.6
525.23248	0.7
535.28540	5.5
712.46051	1.2
747.42908	100.0
748.43268	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01873	0.6
55.05507	1.5
57.03436	2.2
57.07082	0.9
59.05006	0.3
60.08196	0.3
61.02928	6.4
65.03941	0.5
65.56143	0.3
67.05504	6.1
69.03428	3.0
69.07067	1.1
71.01355	0.5
71.04987	0.8
72.93713	0.4
73.02921	4.4
79.05489	3.9
81.03419	2.7
81.03838	0.5
81.07054	5.5
82.70762	0.4
83.08627	1.0
85.02905	5.8
86.09702	0.5
87.04476	0.6
91.03947	3.4
91.05483	2.9
93.07043	3.9
95.04990	1.1
95.08609	4.2
97.02891	4.7
97.06566	0.5
97.10176	0.4
98.20757	1.0
99.04463	1.0
101.02345	1.9
103.03912	0.4
105.07022	1.7
107.04979	0.4
107.08585	2.0
109.02875	0.6
109.06535	0.4
109.10157	1.6
115.03910	0.4
117.07025	0.6
119.08598	1.6
121.10139	2.1
123.08096	0.4
123.11722	0.6
127.03890	1.6
129.06975	0.4
131.08575	0.8
133.10158	1.6
135.11694	0.8
145.10167	0.7
147.11690	0.7
149.13275	0.5
184.07384	1.8
185.04233	0.5
193.12303	0.8
203.05243	0.4
229.20819	0.4
243.08325	1.6
251.12619	1.3
255.44728	0.4
289.93845	0.3
335.25931	1.3
344.61258	0.3
391.38174	0.3
403.81976	0.3
429.59653	0.3
469.20392	3.9
519.29254	8.4
524.66364	0.4
747.42883	100.0
748.43317	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05504	1.4
57.03439	1.6
57.07077	0.6
60.08168	0.8
61.02923	4.1
67.05502	3.3
69.03431	2.8
69.07058	0.9
71.01360	0.4
71.05004	1.0
71.08624	0.7
71.61898	0.4
73.02924	2.9
79.05491	3.3
81.03411	3.9
81.07059	3.6
83.08620	1.3
85.02903	5.3
85.10171	0.5
86.09706	2.8
87.04484	0.9
89.06041	0.6
91.03960	1.9
91.05476	2.0
91.42477	0.4
93.07035	3.3
95.04989	1.4
95.08606	3.0
97.02901	3.4
99.04465	0.7
101.02384	1.4
105.07050	1.8
107.08607	1.3
109.02845	0.5
109.10154	1.3
111.08079	0.6
114.47653	0.4
119.08617	1.5
121.10123	1.8
123.11691	0.5
124.99979	2.4
125.42003	0.4
127.03939	1.3
131.08578	0.9
133.08652	0.7
133.10190	1.1
135.11664	0.6
145.04909	0.4
147.11714	1.5
157.10196	0.5
175.11223	0.6
184.07341	10.3
185.04230	0.6
185.07733	1.4
193.12314	2.3
203.05299	0.5
211.13365	1.7
228.94308	0.4
243.08389	1.9
251.12587	3.3
294.56732	0.4
307.15125	0.6
325.50726	0.4
335.25812	0.5
469.20486	8.5
470.20850	0.4
491.89026	0.5
519.29315	4.3
747.42889	100.0
748.43213	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01898	0.6
55.05503	2.0
55.05743	0.4
56.49805	0.4
56.61274	0.3
57.03440	2.1
57.07073	1.2
61.02933	5.3
67.05514	4.8
69.03436	3.4
69.07076	1.0
69.25471	3.8
71.04999	0.6
71.08638	0.9
73.02916	4.6
79.05493	2.9
81.03423	4.1
81.07053	5.3
83.08621	1.1
83.37646	0.4
85.02908	6.2
85.10174	0.9
86.09708	0.9
87.04472	0.7
87.67642	0.4
89.06047	1.0
91.03951	3.1
91.05482	2.4
93.07049	3.8
94.07405	0.4
95.04997	1.3
95.08623	3.8
97.02903	4.2
99.04456	1.1
101.02385	1.7
103.03951	0.6
105.07034	1.2
107.08615	1.9
109.10188	1.2
111.08105	0.7
119.08609	1.2
121.10184	1.2
125.00011	0.6
127.03970	1.2
131.08641	0.7
133.10143	0.8
134.34230	0.5
135.11725	0.7
147.11722	0.7
184.07387	2.7
193.12311	1.4
211.13443	0.8
243.08456	2.1
251.12575	4.6
307.15112	0.9
332.04926	0.5
335.26022	0.8
339.21954	0.5
469.20480	3.5
506.29529	0.4
519.29352	8.3
585.04871	0.4
747.42889	100.0
748.43225	6.8
763.51178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63342	0.8
53.03953	1.4
55.01875	0.9
55.05510	2.0
55.91649	0.9
57.03445	1.6
58.42622	0.9
60.08167	2.3
61.02938	3.3
67.05505	5.6
69.03429	1.9
69.15476	6.1
69.15900	3.1
71.05003	1.7
71.07384	1.4
72.86653	0.9
73.02928	3.2
79.05495	4.5
81.03437	3.0
81.07062	3.7
85.02898	2.7
86.09709	10.0
87.10017	2.0
89.06065	1.3
91.03975	2.4
91.05476	4.0
93.07035	4.8
95.08627	2.3
97.02914	2.7
97.06550	1.1
98.20798	1.6
98.98445	1.0
99.04482	1.4
99.93885	0.9
101.02413	1.1
105.07053	3.2
107.05008	1.0
107.08606	2.5
109.02887	1.3
109.10165	1.3
119.08614	1.6
125.00016	7.4
127.03886	1.5
133.10170	3.1
135.11719	3.2
145.10161	1.5
149.02390	2.0
151.11259	1.3
157.91553	0.8
164.47372	0.8
184.07343	32.8
185.07805	4.6
199.29166	0.8
215.85101	0.8
225.27875	0.9
228.20639	0.9
243.08487	2.7
321.24298	1.0
386.91138	0.9
439.19409	6.4
468.88779	1.0
549.26801	4.0
595.23517	1.1
747.39270	100.0
748.39996	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	747.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01871	0.8
55.05501	1.7
57.03423	1.5
60.08161	1.1
61.02919	3.0
67.05504	3.8
69.03427	2.9
69.07077	2.9
71.07357	0.8
71.49509	0.9
72.82308	0.5
73.02913	2.7
79.05496	3.2
81.03396	1.7
81.07056	2.7
83.08615	0.9
85.02887	3.5
86.09702	6.4
87.04450	0.5
87.10023	0.7
91.03966	2.0
91.05475	2.0
93.07029	3.9
95.04971	1.0
95.08599	1.2
97.02864	2.7
97.06552	1.1
97.10165	2.1
101.02361	1.0
105.07025	0.8
107.08575	2.9
109.10176	0.9
112.01437	0.5
115.21423	0.5
117.06973	1.1
119.08601	1.2
121.10088	0.9
124.99155	0.8
124.99969	4.7
125.09651	1.2
127.03910	0.8
131.08545	0.6
133.10152	1.3
135.08064	0.6
135.11719	2.6
145.10190	0.9
184.07336	20.2
185.04378	0.8
185.07677	3.4
208.78520	0.6
209.05415	0.6
221.11525	0.7
223.13380	1.0
243.08360	2.7
291.19647	0.7
331.18988	1.0
406.69339	0.5
407.09549	0.6
439.19376	9.6
451.09875	0.6
509.01215	0.6
549.26715	4.7
642.72314	0.6
711.44720	1.0
739.39227	0.6
747.39185	100.0
748.39465	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	747.3775
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.74701	0.7
55.01860	1.2
55.05506	1.4
56.10563	0.7
56.82035	0.8
56.94254	0.7
57.03431	2.2
59.05005	0.8
59.98494	0.8
61.02930	3.9
67.05496	3.3
69.03431	2.9
69.07063	1.3
70.06586	2.5
71.01362	0.8
71.04990	2.0
72.08145	1.0
73.02918	3.1
79.05495	4.5
81.03412	6.2
81.07076	4.5
81.33384	0.8
83.08623	1.8
84.04530	0.7
85.02898	5.8
85.06567	1.1
86.09717	2.1
91.03963	3.0
91.05489	5.4
93.07048	3.3
95.04976	3.0
95.08620	1.8
97.02905	3.5
97.06539	1.1
99.04438	1.0
101.02414	1.1
104.19043	0.8
105.07037	4.0
107.08614	2.2
109.02915	1.4
109.10146	1.3
110.29875	0.9
119.04923	1.1
119.08601	2.8
121.06523	0.8
121.10144	5.3
123.04459	1.7
127.03925	2.6
129.06993	1.8
131.08586	2.5
133.10149	1.6
137.05962	1.5
139.11183	1.3
147.04427	1.3
147.11690	1.6
149.09650	2.6
151.03932	0.8
157.10152	1.3
163.04001	1.0
175.03970	0.9
175.11166	2.2
175.69482	0.7
177.05544	1.5
187.58771	0.9
193.12302	3.2
194.58397	0.9
203.60638	0.8
207.06584	2.2
213.49474	0.7
225.11217	0.8
236.34647	0.9
243.08580	2.7
267.15921	2.1
269.13669	0.9
283.15250	2.7
295.98700	0.7
310.47745	0.9
391.82709	0.9
443.18680	4.0
469.20584	3.2
474.02301	0.8
487.21515	6.0
501.22949	11.6
563.24445	0.8
675.37170	0.8
703.34991	2.1
729.36945	1.8
747.37750	100.0
748.38495	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	746.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
57.03429	1.8
57.07077	100.0
58.07405	0.9
59.05003	41.1
60.08158	1.4
61.02909	1.2
67.05495	2.8
68.10545	0.8
69.07055	3.0
71.00159	2.1
71.08633	95.1
71.84069	0.8
73.06532	2.1
79.05516	2.0
81.07051	2.5
83.08622	5.8
83.09046	1.2
85.10184	84.2
86.09722	6.3
86.10519	1.2
87.04465	8.7
89.06032	56.4
91.05518	0.9
93.07046	1.6
97.10177	1.6
99.11732	10.9
101.09658	2.2
107.08594	1.4
109.10161	1.6
117.09132	15.2
125.00040	4.6
130.08591	1.1
131.07039	3.5
133.08604	44.0
137.06000	1.3
141.16400	10.7
161.11742	1.1
175.09660	3.7
177.11232	17.7
184.07343	21.1
199.20569	21.1
221.13885	3.9
234.18092	0.8
239.14853	1.1
257.24762	21.5
272.36432	0.9
283.17587	1.7
297.15442	1.1
327.20041	0.8
335.66153	0.9
335.94357	1.0
371.22690	1.6
415.25421	8.0
549.40308	1.3
599.21600	0.9
746.55591	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	746.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.5
57.03414	2.1
57.07075	100.0
58.07394	1.6
59.04712	1.3
59.04998	23.3
60.08159	1.3
60.20559	0.8
61.02923	1.0
67.05504	25.0
68.05837	4.3
68.96674	0.7
69.07062	4.2
71.04996	5.5
71.06813	0.7
71.08629	70.6
73.02908	1.2
73.06552	1.8
79.05489	8.1
80.05827	1.9
81.07057	9.6
82.07380	2.2
83.04958	1.2
83.08615	3.7
85.02894	0.8
85.10180	62.6
86.09709	7.3
87.04459	11.6
89.06026	68.6
91.05481	4.8
92.05819	1.4
93.07047	9.5
94.07352	3.9
95.04982	0.8
95.08592	5.8
96.08936	2.1
97.10147	2.8
99.11728	10.8
105.07021	1.9
106.07371	0.9
107.07108	1.2
107.08600	3.8
108.08895	0.7
109.09456	1.4
109.10155	13.4
110.10487	5.1
111.10799	0.9
111.11688	1.2
113.06002	0.9
113.13269	4.3
114.61612	0.9
117.06984	1.0
117.09124	5.9
119.08594	3.4
120.08926	1.3
121.10149	3.8
122.10507	0.8
125.00006	5.6
130.08626	0.8
131.07039	4.4
131.08556	1.0
133.08595	52.7
134.08829	0.8
135.10110	0.8
135.11682	2.8
136.11990	1.0
137.09569	2.0
138.09926	0.8
145.10138	1.9
155.17938	9.1
161.11801	0.8
167.72955	0.7
173.11765	1.6
175.09691	3.2
177.11203	20.7
177.12695	1.3
184.07343	28.6
213.22131	14.0
219.12270	1.3
221.13837	3.7
256.16388	0.8
265.16537	1.5
271.26285	4.7
283.17493	1.5
287.18430	3.1
288.18912	2.2
289.19141	1.0
327.20126	0.9
335.25714	2.5
336.26080	4.4
337.26453	2.2
351.52246	0.7
371.22766	1.2
415.25214	1.5
459.28107	8.2
489.35699	5.4
490.36096	9.2
491.36368	17.1
505.38052	1.1
516.37805	1.1
517.37921	2.3
523.45557	1.0
547.39673	2.8
548.40295	5.8
549.40521	15.2
584.99390	0.9
746.56030	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	0.4
55.05500	1.0
57.03426	1.3
57.07084	0.4
61.02930	4.0
65.03944	0.4
67.05505	5.0
69.03430	2.7
69.07059	1.2
71.01350	0.4
71.05000	1.0
73.02917	3.3
79.05496	4.0
81.03429	2.0
81.07059	4.6
83.04967	0.6
83.08624	1.2
85.02911	3.8
86.09702	1.1
87.04440	0.5
91.03964	1.9
91.05486	2.5
93.07043	5.4
95.04964	0.8
95.08606	4.8
95.86395	0.4
96.08968	0.5
97.02897	3.9
98.21694	0.4
99.04459	0.9
101.02389	1.8
105.07028	1.1
107.04958	0.7
107.08585	3.3
109.02884	0.9
109.10157	1.7
110.29458	0.4
111.08016	0.4
115.03911	0.5
117.07073	0.8
119.08595	1.8
121.10155	2.7
124.99982	0.5
127.03907	1.2
131.08530	0.7
133.10202	0.7
135.11687	3.3
145.10141	2.1
147.11652	0.5
163.11154	3.5
173.97595	0.4
181.12314	0.4
184.07381	2.7
185.04256	0.5
189.04602	0.4
219.09763	0.5
227.12767	2.3
243.08401	2.6
249.10997	7.7
286.17542	0.4
305.13654	2.1
335.25998	0.6
467.18900	11.4
468.19485	0.5
490.36203	0.8
519.29236	4.4
547.39349	0.7
548.39819	1.2
558.61707	0.4
578.59308	0.4
707.03760	0.5
745.41302	100.0
746.41498	6.8
775.12341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01860	0.5
55.05507	1.5
56.12162	0.3
57.03439	2.0
57.03682	0.4
57.07087	0.5
59.04967	0.4
60.08163	1.0
61.02930	4.6
67.05505	6.5
69.03432	3.7
69.07074	1.8
69.22474	1.9
69.22898	1.5
71.05000	0.5
73.02918	3.7
79.05497	4.5
81.03420	1.5
81.07053	5.2
82.07414	0.4
83.01335	0.5
83.04985	0.4
83.08627	1.1
85.02897	4.6
86.09702	3.8
87.04458	0.4
87.09995	0.4
89.06030	0.4
91.03949	2.9
91.05484	1.7
93.07049	5.4
94.07397	0.4
95.04963	0.9
95.08616	4.1
97.02898	4.5
98.98431	0.5
99.04465	1.1
101.02384	1.4
105.07045	1.4
107.08601	2.7
109.02894	0.7
109.10188	1.2
117.07033	0.7
119.08601	1.1
121.10123	2.0
124.99989	3.6
127.03967	1.0
131.08598	0.9
133.08595	0.5
133.10147	0.8
135.11754	2.0
145.10138	1.2
147.11652	0.6
149.13268	0.4
150.76369	0.3
159.11810	0.6
163.11229	2.3
164.69423	0.3
167.67505	0.4
170.88000	0.4
175.11237	0.4
181.12393	0.4
184.07346	12.5
185.07727	1.8
219.10019	0.4
227.12898	1.1
243.08440	1.8
249.10983	10.8
305.13791	1.2
335.26028	1.1
336.26279	0.7
337.26556	0.4
363.25800	0.4
467.18842	3.8
503.37552	0.5
504.38339	0.6
519.29309	9.2
548.39581	0.9
745.41272	100.0
746.41595	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01870	1.4
55.05515	12.8
57.03446	6.4
57.07064	1.7
59.04993	3.6
61.02920	2.8
64.03664	0.7
65.03932	3.4
66.83154	0.8
67.05507	84.6
67.54223	0.8
69.03423	2.1
69.07070	10.5
69.14931	3.0
69.15354	5.5
71.04998	18.0
73.02904	0.8
77.03916	0.8
79.05496	32.9
81.03423	2.2
81.06594	1.8
81.07060	32.1
83.04992	4.0
83.08618	5.9
85.02896	2.3
85.06541	2.8
90.47893	0.7
91.05484	18.9
93.07047	40.3
94.07381	1.0
95.04954	3.2
95.08611	27.6
97.02880	0.9
97.06516	3.3
97.10138	1.6
99.08084	1.2
105.07035	9.9
107.08594	18.6
109.06473	1.1
109.10159	52.2
111.08097	2.9
117.07012	3.6
117.41694	0.8
119.08578	13.9
121.10137	14.2
123.11711	1.8
125.09613	1.2
131.08577	4.7
133.10141	5.9
135.11687	14.2
137.09625	8.1
139.11229	1.5
145.10147	6.9
147.11662	3.2
149.13245	2.9
155.10683	2.6
157.10265	0.9
159.11729	2.7
159.65604	0.8
161.13252	2.1
163.11140	4.0
169.12227	1.2
173.11748	5.3
173.13261	2.9
175.14830	1.2
181.12321	2.0
187.14778	1.0
213.14886	0.9
229.14450	1.9
243.15921	1.3
255.15926	4.4
259.20563	1.2
261.22095	2.7
287.18509	15.0
317.24780	1.3
335.25800	28.8
336.26260	1.3
354.19348	0.8
397.31287	1.1
471.34656	3.5
489.35754	100.0
490.36169	5.0
503.37253	3.3
515.37305	12.4
547.39960	79.4
548.40460	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
54.22725	2.8
55.01868	6.9
55.05511	20.3
57.03442	19.6
60.08166	4.0
61.02928	4.6
63.98289	2.8
65.03918	2.6
67.05510	63.3
69.03432	5.2
69.07071	22.8
71.01376	3.6
71.04999	6.9
71.49274	3.9
77.45936	2.5
79.05499	51.7
81.03423	10.6
81.06597	3.8
81.07059	60.8
83.04984	12.0
83.08627	11.1
83.14172	2.4
85.02891	3.3
85.06563	5.5
86.09708	24.6
91.05476	36.9
93.07053	55.3
95.04983	9.9
95.08621	25.0
97.02882	5.8
97.06532	16.4
97.10157	9.4
99.04448	3.9
99.08062	3.2
105.04546	3.0
105.07031	18.8
107.05004	6.0
107.08591	42.4
109.06522	3.0
109.10182	14.3
111.08102	7.0
117.06996	13.5
119.08570	17.5
121.10132	16.3
125.00032	14.2
125.09666	3.5
131.08557	10.6
133.10136	15.1
135.08086	3.3
135.11699	46.0
137.09601	4.2
143.08641	3.1
144.46928	2.6
145.10132	11.5
145.11203	2.5
147.11725	6.4
149.09634	9.0
149.13281	8.4
151.11174	3.8
157.10187	3.5
159.11711	10.0
163.11131	11.0
173.13342	4.3
181.12186	10.9
184.07333	65.6
206.98834	2.7
208.48848	2.8
242.95815	2.6
255.15935	64.1
257.19073	5.7
267.15958	3.3
269.17511	21.3
275.20044	17.9
349.23688	9.4
431.27249	2.8
433.47711	3.2
435.27478	18.0
449.29022	100.0
450.28903	3.1
529.35358	25.7
547.36169	9.0
738.99445	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	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01865	10.2
55.05507	28.5
57.03432	17.7
60.08158	8.7
61.02923	4.0
65.03925	5.5
67.05506	77.0
69.03430	6.0
69.07061	38.1
69.41257	5.8
69.41668	19.8
70.06575	4.5
71.04989	5.5
71.08630	3.5
79.05496	84.7
80.17066	3.4
81.03419	17.9
81.07060	66.8
83.05006	20.0
83.08608	11.6
85.02893	7.4
85.06540	7.8
86.09698	29.9
91.05483	55.8
93.06490	6.0
93.07047	98.7
93.07644	4.7
95.04976	18.4
95.08610	34.0
97.06533	23.9
97.10178	9.8
98.98444	5.6
99.08062	4.7
105.07033	36.0
105.70069	3.2
106.63859	3.2
107.04955	4.5
107.08607	50.5
109.06546	5.3
109.10143	13.5
111.08101	5.2
114.86528	3.2
117.07034	20.4
119.08588	23.6
121.06522	7.9
121.10133	18.3
125.00006	25.0
129.07018	4.1
131.08553	16.8
133.10152	26.4
134.10440	3.1
135.08046	3.8
135.11684	61.5
145.10104	23.7
147.11688	8.5
149.09619	12.6
149.13245	10.7
151.11166	3.6
159.11707	10.8
163.11169	15.1
173.13312	3.9
177.12718	4.9
181.12257	13.2
184.07341	100.0
191.22672	3.1
195.13753	5.8
199.13261	4.2
227.12718	5.5
239.18028	3.4
255.15904	79.8
257.18973	8.3
260.36630	3.3
269.17422	14.9
275.20059	23.5
276.20117	3.2
349.23755	14.5
435.27521	28.5
449.28995	97.1
489.32065	3.6
529.35193	29.0
545.99005	3.8
547.36102	8.0
593.33813	4.2
598.95343	3.8
726.44110	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	743.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75580	0.4
53.03946	0.5
54.26780	0.4
55.01872	0.6
55.05509	1.4
56.16184	0.4
56.49985	0.4
57.03446	1.9
57.07081	0.8
57.45039	0.3
57.87852	0.4
61.02928	4.9
67.05505	5.1
69.03432	3.4
69.07056	1.0
70.18011	1.5
71.01349	0.6
71.08643	0.4
73.02921	4.3
79.05490	4.1
79.45265	0.3
81.03436	1.8
81.07055	4.7
82.24479	0.4
83.04992	0.8
83.08630	0.6
85.02915	4.2
89.06062	0.6
90.67451	0.4
91.03951	2.9
91.05488	3.1
93.07051	4.8
95.04995	0.9
95.08597	3.3
97.02891	4.6
99.04458	0.9
101.02399	1.7
105.07059	2.3
107.07977	0.4
107.08592	2.0
109.02905	0.8
109.10184	1.5
117.07027	0.9
119.08620	1.3
121.10149	1.4
127.03935	1.3
129.07060	1.1
133.10118	0.9
135.11667	0.4
147.11757	1.0
185.04329	0.6
199.49463	0.4
243.08463	1.8
247.13127	0.9
335.25845	0.8
388.60791	0.4
392.80801	0.4
412.37589	0.4
465.20950	6.1
519.29181	7.4
520.29877	0.5
743.43420	100.0
744.43628	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	743.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93563	0.7
53.00302	0.7
53.03942	1.5
55.01891	1.4
55.05502	2.1
57.03428	2.3
57.37447	0.5
59.05008	0.8
61.02695	0.6
61.02929	5.8
61.58907	0.5
62.01931	0.6
65.03947	0.5
67.05509	5.2
69.03440	4.1
69.07063	1.7
70.06587	2.7
71.04985	1.8
71.49995	1.0
72.08154	0.6
73.02919	3.9
79.05489	3.2
81.03418	8.2
81.07056	5.0
83.04973	1.0
83.08624	1.7
85.02900	5.6
85.06531	1.2
86.09710	2.9
87.04479	1.0
91.03946	2.3
91.05476	6.2
93.07041	4.3
95.04961	2.5
95.08610	1.8
96.61994	0.6
97.02902	4.4
97.06544	1.5
98.34115	0.5
99.00838	1.1
99.04448	1.5
101.02383	1.7
105.07016	3.8
107.04962	1.1
107.08592	2.6
109.02882	1.9
109.06519	1.1
109.10168	2.1
111.08076	0.9
117.07020	0.8
119.04926	0.8
119.08585	2.6
121.06483	0.8
121.10165	2.2
123.04380	0.8
123.11717	0.9
125.09604	0.8
127.03914	2.1
129.07028	0.7
131.08598	1.2
133.06511	1.2
133.10141	4.8
135.11656	1.0
136.07558	0.7
137.05956	1.0
147.04366	0.7
147.08026	0.8
147.11668	1.5
149.09618	2.3
151.11194	1.5
157.10143	1.5
161.09660	2.1
162.06761	0.7
163.03891	0.6
167.07066	1.4
167.65166	0.6
175.11179	1.4
177.05605	0.6
179.10703	1.1
185.04265	1.0
189.09175	1.2
193.12262	2.6
203.05325	1.1
207.06548	1.3
225.11310	0.8
228.13412	0.8
243.08434	1.8
248.40207	0.6
253.08453	0.7
265.10712	1.3
267.15948	1.4
283.15240	2.6
321.12863	0.7
351.58588	0.6
451.19644	2.0
460.27844	1.1
477.28214	0.8
478.28302	0.8
483.18314	8.8
501.23053	6.8
693.30853	18.6
711.31512	0.9
725.33282	2.6
743.34595	100.0
744.34424	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	742.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39997	1.0
55.05506	7.9
56.05029	4.3
57.03431	1.1
57.07073	7.3
59.04993	3.5
60.04523	2.7
65.03915	1.1
67.05511	16.6
69.07077	10.6
70.06579	1.5
71.08617	5.2
71.50621	2.1
79.05494	12.1
80.05018	2.4
81.03427	1.3
81.07053	13.0
82.06573	5.6
83.08621	5.2
85.02918	1.4
85.10201	1.5
86.09691	3.7
87.04437	1.1
89.06029	1.2
89.56541	1.0
91.05494	9.8
93.07045	11.2
94.06570	17.1
95.04980	1.3
95.07370	6.7
95.08605	11.5
96.08124	4.3
97.02911	1.1
97.10175	3.9
97.94927	0.8
98.98449	1.6
105.07009	8.0
107.08575	6.1
108.08125	1.6
109.10153	4.3
110.65946	1.0
119.08581	7.1
121.10160	7.0
122.09666	2.4
123.11721	1.7
125.00007	3.4
133.10127	4.0
134.09662	1.0
135.01111	3.1
135.11697	4.0
137.46536	1.1
138.29372	1.0
147.11697	2.9
149.13274	1.2
184.07336	12.6
184.40857	0.9
196.36688	1.2
233.22618	3.1
245.22673	4.5
250.25304	8.0
262.25293	100.0
263.25699	2.8
280.26395	6.9
282.28052	2.2
300.28970	7.1
366.81754	1.3
388.17252	1.1
532.51239	5.4
544.50836	30.0
545.42401	1.0
545.50995	2.4
546.52625	4.7
562.51886	16.0
601.51489	1.5
724.44983	1.3
724.56732	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01871	1.9
55.05514	14.4
56.94328	1.6
57.03444	14.4
57.07098	2.1
60.66474	1.5
61.02929	3.5
65.03935	2.1
67.05507	59.7
69.03430	2.1
69.07074	18.9
69.28491	9.7
71.04990	4.4
79.05495	40.6
81.03407	5.1
81.07059	100.0
83.04965	7.1
83.08615	13.8
85.02916	2.6
85.06540	5.8
86.09721	2.8
91.05484	35.3
93.06485	3.1
93.07046	40.7
95.04979	5.6
95.08612	47.8
97.02876	2.7
97.06527	8.3
97.10162	3.1
98.20756	3.4
99.08103	4.5
105.07033	43.8
107.08593	25.5
109.06506	5.1
109.10149	12.8
111.08082	2.8
117.07021	5.4
119.08591	36.2
121.10146	33.2
123.08080	5.2
123.11701	37.0
127.07614	3.0
129.07021	2.0
131.08549	7.9
133.10133	7.0
135.11678	10.9
137.13254	6.0
145.10127	5.1
147.11697	71.0
148.12045	1.6
149.13257	4.5
157.10136	3.2
159.11717	4.9
161.13245	3.0
163.14848	4.3
165.12753	27.7
173.13316	2.9
175.11211	4.0
175.14851	1.8
183.13910	3.3
184.07375	4.6
187.14812	2.9
193.12265	2.7
193.29672	1.6
211.13316	3.4
229.14452	5.8
243.21085	6.7
261.22128	21.6
267.15912	72.1
268.16266	2.0
279.22974	2.2
285.16983	90.9
286.17300	2.8
317.24771	3.4
335.25803	80.3
336.26184	2.6
453.33624	2.2
471.34650	2.6
503.81326	2.0
527.37286	3.7
545.38403	62.3
546.38684	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
54.96674	1.0
55.01871	1.0
55.05514	12.9
57.03436	8.2
57.07064	0.9
61.02917	1.4
65.03929	1.9
67.05505	30.4
69.03430	3.0
69.07066	8.1
71.04985	2.8
79.05489	26.2
81.03417	39.7
81.06593	1.7
81.07056	31.5
82.04842	0.8
83.04981	10.0
83.08616	14.3
85.02908	12.3
85.06531	1.9
86.09764	1.0
91.03991	1.2
91.05480	20.7
93.07041	25.1
95.04971	14.3
95.08607	18.6
97.02890	3.0
97.06535	3.3
97.10167	3.0
99.08066	0.9
105.04442	1.0
105.07026	14.2
107.04944	2.8
107.08597	11.2
109.06522	3.8
109.10146	7.1
111.08076	5.1
115.05454	1.4
117.07018	2.5
119.08585	13.9
121.06528	1.6
121.10151	11.0
123.08090	1.8
123.11705	2.0
129.07021	5.9
131.08572	8.0
133.06430	1.9
133.10118	8.6
135.11684	4.1
137.09621	1.1
142.07759	1.5
145.10136	5.0
147.08011	1.5
147.11688	9.5
149.09619	3.4
149.13287	2.4
157.10146	7.1
159.11708	2.1
165.12793	2.3
169.72305	0.8
173.13289	1.5
175.11212	7.6
184.07373	4.3
193.12245	27.5
211.13300	49.0
212.13710	1.6
227.12856	1.0
243.21112	1.4
261.22125	4.4
267.15930	7.1
285.16956	38.8
286.17291	1.3
317.24884	1.1
335.25800	44.0
336.26410	1.8
356.98114	1.0
435.32797	1.2
453.33792	1.7
527.37360	6.4
545.38367	100.0
546.38782	4.5
549.37854	1.4
714.81793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01877	2.1
55.05512	18.7
57.03436	15.0
57.07074	1.7
61.02920	3.5
65.03932	3.0
65.39738	1.1
66.50018	1.0
67.05507	53.2
69.03423	3.5
69.07072	11.8
70.62241	3.1
71.04980	4.7
71.05331	1.1
79.05492	40.5
80.05811	1.1
81.03420	40.8
81.07057	53.0
81.67354	1.1
83.04971	12.4
83.08621	18.2
85.02907	18.5
85.06539	2.7
88.73745	1.2
91.03952	2.0
91.05485	36.3
93.07045	42.7
95.04966	18.8
95.08607	36.3
97.02891	3.2
97.06529	3.6
97.10172	4.8
101.80913	1.1
105.04543	2.0
105.07040	25.6
107.04942	4.3
107.08596	22.2
109.06512	4.5
109.10155	14.2
111.04432	2.0
111.08099	7.8
117.07006	5.7
119.08582	23.7
121.06497	1.2
121.10150	19.6
123.08089	3.9
123.11716	5.1
125.09641	2.3
127.07557	1.4
129.07018	7.1
131.08568	14.3
133.06525	2.2
133.10124	14.9
135.11703	9.5
137.09587	2.3
137.13330	1.4
139.11150	1.1
142.07751	2.4
145.10101	7.5
147.08015	2.9
147.11696	14.6
149.09642	5.4
149.13271	5.5
157.10138	10.7
159.11717	3.8
161.13223	3.3
163.11168	1.5
163.14792	2.7
165.12708	2.3
173.13327	3.0
175.11229	11.7
175.14775	1.4
178.07233	1.0
187.14784	1.6
189.03673	1.1
189.11252	1.1
193.10461	1.7
193.12242	34.0
203.26068	1.1
211.13286	46.9
212.13390	1.1
243.21013	3.8
256.92319	1.1
261.22217	11.0
267.15900	12.8
285.16983	49.3
286.17194	1.4
317.24750	3.3
335.25803	80.5
336.26163	4.1
435.32465	2.4
453.33313	2.3
527.37415	12.7
545.38403	100.0
546.39172	5.0
563.39154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01875	1.5
55.05514	11.4
57.03204	0.7
57.03445	10.6
57.07073	0.9
61.02905	1.7
65.03938	2.2
67.05508	35.4
69.03417	3.2
69.06719	1.3
69.07070	10.3
71.04981	2.6
79.05498	28.9
80.05777	0.8
81.03421	34.0
81.07059	32.6
83.04990	8.4
83.08615	14.4
85.02439	1.5
85.02905	14.5
85.06532	2.3
91.05483	19.3
93.06493	1.7
93.07044	27.2
95.04966	15.3
95.08611	22.6
97.02880	2.1
97.06525	3.7
97.10162	3.3
98.21506	2.7
99.08084	1.4
105.07043	14.5
107.04948	2.2
107.07976	1.4
107.08604	14.8
109.06503	2.5
109.10159	8.6
111.04398	1.6
111.08084	5.4
117.07008	2.7
119.08589	13.6
120.32516	0.9
121.06487	1.0
121.10143	12.8
123.08060	1.8
123.11700	2.9
125.05924	1.0
125.09633	1.6
129.07019	4.9
129.38071	0.9
130.67128	0.7
131.08568	8.6
133.06487	2.1
133.10126	7.2
135.11684	6.5
137.13235	1.0
145.10120	3.5
147.07993	1.5
147.11710	11.1
149.09616	3.5
149.13235	3.5
151.11163	0.9
157.10138	7.4
159.11705	1.7
161.13263	2.6
163.11099	1.6
168.08513	0.9
173.13268	1.6
175.11195	6.6
184.07344	1.3
193.12248	25.4
195.81674	0.8
199.14772	1.0
211.13297	34.4
212.81393	1.0
227.12827	1.2
243.21063	1.2
261.22131	6.1
267.15884	6.1
285.16956	34.5
286.17288	1.1
317.24628	1.1
320.18900	0.9
335.25803	62.6
336.26089	3.0
343.21732	0.9
415.39200	0.9
453.33920	1.1
527.37262	6.0
545.38373	100.0
546.38525	5.0
620.13953	1.0
645.69666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01867	3.3
55.05508	30.0
57.03163	2.4
57.03437	25.4
57.07075	3.9
58.55747	1.4
61.02920	5.1
65.03936	2.7
67.05505	63.7
69.03416	5.0
69.07067	16.6
69.59064	1.2
71.04998	7.3
73.02910	2.5
77.03900	1.9
79.05496	59.3
81.03419	71.1
81.07056	69.7
81.07536	3.7
83.04981	17.4
83.08623	29.6
85.02905	29.5
85.06539	5.2
91.04913	1.9
91.05481	46.6
93.07048	60.1
93.07642	3.1
95.04969	28.4
95.08607	42.1
97.02866	4.1
97.06515	5.5
97.10169	7.5
105.07031	39.5
107.04977	8.6
107.08589	26.8
109.06520	5.3
109.10155	16.2
111.04437	3.5
111.08080	12.5
113.06020	2.3
115.05392	2.2
116.04836	1.6
117.07003	7.0
119.08576	31.3
121.06477	2.7
121.09334	2.1
121.10154	27.5
123.08051	3.4
123.11706	5.9
129.07027	10.3
131.08569	20.1
133.10139	19.9
135.11713	9.0
137.09607	3.0
137.13307	2.0
142.07796	3.6
143.08539	2.1
145.10088	8.2
147.08037	3.7
147.11685	20.5
149.09645	4.7
149.13249	4.6
152.37373	1.8
155.08516	2.8
157.10149	16.0
159.11656	6.7
161.13232	3.5
163.11214	2.9
163.29013	1.4
165.12743	4.1
173.13228	4.6
175.11191	13.9
175.14839	2.3
184.07339	3.0
187.14769	2.7
193.10429	2.6
193.12236	56.3
211.13290	83.7
229.24982	2.1
229.61905	1.8
243.21045	4.6
261.22083	11.0
267.15945	19.3
285.16974	85.4
312.98773	1.6
317.24890	2.1
335.25815	82.6
336.26086	3.2
435.32739	2.0
471.34497	1.6
511.63913	1.7
527.37311	12.9
545.38367	100.0
546.38416	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	742.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.0
55.01869	11.7
55.05517	26.4
56.66875	2.1
57.03434	14.4
57.07066	6.0
60.08148	3.5
61.02934	2.4
65.03925	5.5
67.05508	89.4
67.47372	2.0
69.03419	8.3
69.07068	27.8
69.18156	19.1
71.01344	3.6
71.04988	10.2
71.07340	2.4
71.72243	1.5
73.71879	1.6
76.14172	1.7
77.03922	3.8
79.05495	67.5
80.00288	1.8
80.21981	1.6
81.03410	13.0
81.07058	86.9
83.04984	20.4
83.08627	11.5
85.02893	3.6
85.06551	10.7
86.09708	25.3
89.06052	1.8
91.05482	78.8
92.10940	1.8
93.07043	92.1
94.07368	2.6
95.01292	2.8
95.04956	21.6
95.08610	37.9
97.02885	3.0
97.06528	14.7
97.10168	8.2
99.08105	3.7
100.65717	1.6
102.94974	1.7
103.05485	4.1
105.04551	2.3
105.07034	77.7
107.04958	10.4
107.08592	74.9
109.06532	12.0
109.10155	58.9
111.08062	5.2
113.06001	2.1
115.05452	4.2
117.07011	22.2
119.05044	2.2
119.08589	64.8
120.09386	3.0
121.06504	10.8
121.10149	28.3
123.04484	1.9
123.08060	23.3
123.11700	11.9
125.00002	17.5
125.09630	2.7
127.07594	2.0
128.06221	4.5
129.06990	11.2
130.07764	3.1
131.08580	38.9
132.09370	5.1
133.06506	7.2
133.10130	100.0
134.10883	3.3
135.08035	12.3
135.11694	49.8
137.09694	4.1
138.10417	3.0
139.07518	2.3
139.11189	1.8
141.07014	4.5
142.07764	8.1
143.08578	23.4
144.09334	8.0
145.10126	49.4
146.10490	2.2
147.08037	8.3
147.11702	14.1
149.09633	9.3
149.13223	6.2
151.07574	2.9
151.11171	31.9
153.06972	2.3
153.12718	4.2
155.08569	6.8
156.09370	8.4
157.10133	22.6
158.10893	4.0
159.08038	5.5
159.11694	20.5
161.09633	12.5
161.13257	6.7
163.11169	10.9
165.05527	2.3
165.06978	2.6
165.09148	5.0
167.08546	4.5
168.09195	2.6
169.10120	11.9
169.12228	5.8
170.10858	5.1
171.11693	25.8
172.12421	3.0
173.09618	3.0
173.13266	15.5
174.13943	2.2
175.11197	5.4
175.14825	16.6
177.09093	2.7
177.12773	6.8
179.08488	2.9
181.10138	7.3
181.12190	10.7
182.10959	4.0
183.11716	11.0
184.07349	82.3
184.09009	4.5
184.12355	3.5
185.09608	2.0
185.13272	14.7
186.13982	5.4
187.11188	2.2
187.14854	10.7
189.12753	3.2
191.14333	5.5
193.10066	4.8
194.10855	4.0
195.11720	8.7
196.12454	5.7
197.13237	13.8
198.13858	2.1
199.11275	2.6
199.14839	6.8
201.12712	3.4
201.16440	4.0
203.14307	3.7
205.15897	3.8
207.11667	3.0
208.12505	3.4
209.13336	9.1
211.14839	6.3
212.15233	2.0
213.16394	2.5
215.12648	3.6
215.14548	2.8
217.15822	3.0
219.17371	2.4
220.12398	2.8
221.13330	3.9
221.15253	4.0
222.13823	2.4
223.14822	4.8
225.16373	4.9
227.17909	3.6
231.17607	2.3
233.13268	2.1
235.14777	2.5
237.16382	5.3
239.17947	3.8
241.19446	3.7
245.19031	5.1
247.14746	2.1
249.16473	2.0
251.18004	3.0
253.14349	94.0
255.15865	61.3
259.20636	3.9
263.17819	2.3
263.20297	2.9
267.21115	2.1
271.15189	2.7
272.21381	2.9
273.18527	33.0
275.20215	2.3
289.91226	1.8
291.19562	33.9
309.20560	3.9
320.17444	2.3
323.23642	3.4
338.26010	24.3
347.22107	10.6
365.23291	24.4
401.58521	1.8
449.25424	4.4
451.20947	3.4
451.26910	46.8
452.27011	2.4
476.36511	21.1
527.33673	11.1
545.34723	70.3
546.34894	5.2
724.43817	6.5
742.43652	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	742.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.2
55.01860	12.8
55.05509	26.0
57.03439	15.5
57.07064	6.9
58.52673	2.9
61.02909	3.1
65.03934	4.4
67.05507	95.9
69.03424	8.0
69.07063	31.3
71.01367	3.2
71.04977	10.8
71.50231	4.1
73.02919	2.8
79.05495	71.2
81.03417	9.5
81.07057	92.6
83.04981	19.9
83.08619	10.6
85.02910	5.1
85.06526	10.3
86.09705	13.8
87.04442	4.2
89.06039	13.9
91.05479	76.8
93.07043	81.8
94.07371	3.6
95.04961	14.1
95.08609	33.9
97.06535	15.9
97.10168	10.4
99.04465	4.7
105.07030	58.1
107.04971	16.1
107.08593	68.0
109.06499	14.2
109.10165	62.9
111.04427	4.5
111.08077	5.6
117.07000	15.7
119.08587	26.6
121.06495	9.7
121.10162	17.9
123.08066	8.4
123.11710	7.9
124.99980	6.1
125.09595	3.3
127.46646	3.1
128.06236	4.4
129.07016	4.9
130.07790	5.5
131.08566	17.9
133.06500	10.1
133.08618	6.6
133.09023	3.4
133.10133	72.4
135.08028	13.8
135.11702	46.5
137.09584	3.3
142.07819	5.1
143.08554	12.1
145.10124	23.9
147.08041	7.2
147.11655	7.1
149.09637	10.6
151.11183	33.3
153.12741	5.9
157.10095	6.6
159.11678	8.1
161.09602	9.6
161.13268	4.4
163.11185	7.3
169.10120	6.6
169.12181	4.8
171.11667	9.3
175.11197	7.3
181.12251	12.3
184.07326	38.5
189.12842	4.4
189.52547	3.6
195.11670	3.0
201.16321	4.5
211.93797	3.0
213.16423	3.6
215.12791	5.5
227.12950	4.1
227.19899	15.0
237.16470	4.3
245.18970	9.5
251.12808	5.4
253.11728	5.3
253.14343	81.1
255.15884	66.0
272.15274	3.8
273.18503	43.3
275.20169	4.2
291.19513	35.4
309.20663	5.3
338.25348	3.1
347.22134	11.3
365.23175	34.1
449.25183	4.8
451.26883	33.7
527.34027	14.3
545.34747	100.0
546.35083	3.9
563.35602	3.4
642.53772	3.2
724.42468	3.5
742.43176	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	742.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01875	7.3
55.05275	1.5
55.05517	23.2
57.03438	9.3
57.07075	2.2
59.05012	1.6
60.08155	1.7
61.02925	1.4
65.03937	2.8
67.05507	47.7
69.03434	9.4
69.07068	26.1
69.50487	5.4
69.50896	2.3
70.06579	1.0
71.01349	1.4
71.04996	2.7
78.04723	1.0
79.05498	38.5
81.03418	6.8
81.07058	27.1
82.07374	1.0
83.04979	10.0
83.08624	10.1
85.02903	2.2
85.06544	4.4
86.09718	7.6
89.47011	1.1
91.05486	23.9
91.06026	2.0
92.05802	1.4
93.07045	41.1
94.07385	1.6
95.04973	10.0
95.08623	14.7
97.02874	7.7
97.06535	8.5
97.10172	16.2
98.20801	2.0
105.04498	1.3
105.07028	16.0
106.07371	1.0
107.04963	9.6
107.08598	24.1
109.06536	3.8
109.10151	10.8
111.04449	1.2
111.08086	2.8
115.05401	1.1
117.07034	7.9
118.07391	1.0
119.04958	2.3
119.08593	15.2
121.06505	4.0
121.10148	9.5
122.10483	1.3
123.08067	2.9
125.00002	5.8
125.09606	6.9
128.06245	1.6
129.07019	3.9
129.22882	1.1
130.07782	1.6
131.08597	9.3
133.06508	3.7
133.10129	13.2
135.08054	3.9
135.11702	31.2
136.12082	1.1
137.09642	2.9
143.08577	4.4
145.10139	10.9
147.08087	4.2
147.11670	4.0
149.09644	2.3
149.13333	1.4
151.11087	2.2
153.12770	2.0
157.10127	4.3
159.11725	3.2
161.09657	2.9
163.11206	6.6
165.09132	3.1
169.10146	1.8
169.12241	1.5
171.11713	2.9
173.13297	1.3
175.11209	2.1
175.14862	2.6
181.10194	1.5
181.12253	8.7
183.11711	1.2
184.07361	21.4
185.07646	2.2
185.13280	1.5
187.11145	1.0
189.11221	3.3
189.12845	1.7
193.12215	1.1
195.13766	1.2
221.15309	2.2
223.13275	14.6
227.12733	4.5
249.14888	4.9
253.14386	2.5
255.15907	56.1
256.16342	1.5
267.15909	1.5
273.18512	13.0
279.81857	1.1
283.15482	1.1
291.19553	95.1
292.19861	2.5
347.22241	1.7
353.87033	1.1
365.23242	30.0
425.25275	2.3
431.11011	1.2
447.27145	1.8
465.28662	1.9
527.33533	2.2
545.34729	100.0
546.34955	4.7
564.57135	1.4
742.42566	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	742.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
53.14707	1.0
55.01872	4.4
55.05516	12.8
57.03436	9.6
59.78622	1.1
65.03936	1.6
67.05508	19.6
69.03417	4.8
69.07069	6.3
70.06599	2.8
70.85273	2.9
71.05000	5.1
79.05495	25.2
81.03421	47.4
81.07056	22.2
82.91309	1.0
83.04987	4.5
83.08614	15.2
85.02914	3.1
85.06560	2.4
86.09703	2.4
91.05479	20.4
93.07045	20.2
94.07374	1.3
95.04971	20.2
95.08614	8.2
95.61173	1.2
97.02889	3.3
97.06539	4.2
97.10169	14.1
98.80553	1.1
100.76747	1.1
105.07025	13.3
107.04965	16.9
107.08590	14.5
108.34026	1.0
109.02866	1.6
109.06519	17.0
109.10193	6.4
111.04460	1.8
111.08086	4.2
115.05459	1.4
117.07018	4.3
119.04956	2.2
119.08588	12.1
120.08085	1.2
121.06489	12.5
121.10152	10.7
123.04457	1.9
123.08080	4.7
125.09628	11.9
128.06303	1.1
129.06999	7.3
131.04892	1.2
131.08574	12.0
133.06497	4.4
133.10097	5.5
135.08054	7.4
135.11703	2.0
136.48755	1.1
137.06010	2.6
137.09619	2.0
139.11168	2.5
141.50082	1.0
143.08571	2.1
145.02888	1.2
145.06505	4.6
145.10129	5.2
146.74469	1.0
147.04427	3.1
147.08090	5.0
147.11673	8.1
149.09612	7.9
153.09076	1.9
155.08536	1.5
157.06558	1.3
157.10136	6.6
159.08051	2.0
159.11800	1.7
161.09598	2.5
163.11142	5.6
167.08347	1.2
167.10768	1.4
171.10204	1.7
171.11697	2.0
173.09636	1.9
173.13281	3.1
175.07428	1.3
175.11153	5.4
178.00223	1.0
183.11673	1.2
185.11801	1.3
187.11211	1.9
189.09375	1.1
189.11221	5.9
189.12674	1.4
191.10680	1.2
191.14319	4.1
193.12238	14.5
195.11649	1.3
197.13335	1.2
201.12814	1.5
207.06534	2.5
213.12871	1.9
215.14368	1.5
219.13802	11.1
223.13333	1.7
227.12645	2.4
233.15460	4.2
249.14871	2.3
255.13788	1.6
257.04709	1.3
259.15479	8.6
267.15933	39.4
269.15311	1.4
273.14917	2.9
293.17557	7.5
339.23160	3.1
349.21671	4.5
357.24234	1.4
367.22708	14.9
381.23785	1.2
385.23761	24.7
386.24283	1.1
403.24832	8.0
433.25687	1.6
441.26352	7.4
451.26895	3.3
454.78387	1.1
459.27429	100.0
460.27829	2.5
477.28497	89.7
478.28918	2.7
491.30209	9.2
495.29526	7.3
495.97638	1.2
501.28568	2.0
567.29541	1.6
568.84918	1.0
585.30792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1812
Annotation	Kandelin A-1
Peak:m/z	Relative Intensity
53.03937	1.2
55.01863	2.3
62.84781	0.6
65.03927	1.0
67.05495	2.1
68.99443	1.3
68.99788	15.8
69.03414	1.3
70.06577	0.9
70.74944	2.1
72.90076	0.7
77.03928	1.4
79.05479	1.6
81.03397	3.3
81.07080	0.7
85.02902	0.9
85.37914	0.7
89.03906	2.5
91.05471	1.3
93.03391	1.1
94.82333	0.6
95.01327	1.8
95.04955	2.1
97.02888	1.4
103.05472	0.8
105.03374	1.5
107.04959	6.3
109.02858	2.1
111.00803	1.4
111.04443	17.8
115.05492	0.7
117.03392	3.2
117.07022	0.8
119.04945	2.4
123.04430	50.2
124.04706	1.0
127.03921	3.8
131.04926	2.0
135.04414	54.8
137.02341	54.7
137.03400	2.7
139.03888	13.8
141.01526	0.7
143.04938	1.1
145.02881	3.7
147.04390	8.1
149.06013	0.8
151.03893	5.2
153.01826	12.7
153.05479	9.1
155.03436	1.6
155.04881	1.4
159.04395	5.2
161.02419	0.9
161.05984	4.5
163.03902	80.8
164.04401	0.9
165.05486	2.0
171.02885	3.2
171.04312	1.7
173.06007	4.5
175.03946	4.0
177.05428	2.9
179.03389	100.0
180.03709	0.7
181.06381	0.9
183.04376	2.0
185.05917	2.1
187.03874	11.2
189.01863	1.9
189.05423	3.6
191.03410	3.9
193.05006	1.4
195.08026	0.8
197.05992	1.8
198.90517	0.7
199.03880	1.2
201.01749	0.9
201.05470	7.2
203.03397	6.6
205.04941	4.7
206.70132	0.7
207.02925	1.4
211.03923	2.2
213.05460	2.6
214.29610	0.7
215.03304	3.6
217.04752	1.5
219.02956	1.2
225.05353	1.2
227.03410	0.9
229.04880	8.9
229.06653	0.7
231.02922	0.9
231.06450	1.2
241.04941	3.2
243.02893	1.7
243.06447	1.3
245.04474	1.8
247.05968	31.4
249.05434	0.9
253.05000	3.0
255.02734	1.4
255.06657	1.8
257.04474	2.8
259.06009	3.0
265.04874	1.0
267.06467	1.5
269.04462	4.5
269.07251	0.6
271.05814	4.4
273.03928	1.7
273.07565	1.3
275.06915	0.8
277.04843	0.9
281.04428	2.4
283.06021	5.9
285.03824	3.8
287.05478	2.5
289.07050	82.8
290.07462	1.8
293.08093	1.6
295.06012	2.6
297.03894	4.6
297.07654	2.6
299.05197	3.6
301.06995	6.2
309.03897	2.0
311.05396	3.0
313.03366	1.2
313.07126	3.1
315.04965	4.8
315.08295	1.5
317.07971	1.4
321.04059	0.9
321.07568	2.4
323.05545	6.6
327.05219	2.4
329.06693	2.0
333.05945	1.0
335.09125	3.0
339.04996	8.1
341.06528	10.2
345.07501	2.5
349.06998	1.1
351.05038	2.0
361.06924	0.8
363.08804	4.2
367.07980	1.4
373.06998	1.3
377.06393	2.0
389.06332	0.9
391.08112	9.9
407.07590	2.7
409.09171	15.8
411.10464	1.6
415.08038	0.9
419.07578	3.2
433.09207	19.0
434.09290	1.1
435.11221	1.0
437.08722	8.3
449.08633	5.2
451.10263	30.6
452.10742	1.0
461.08389	4.4
473.08148	1.0
529.11084	2.1
571.12402	20.8
572.12488	1.1
589.13892	0.8
681.00018	0.8
717.49194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
54.59186	0.8
55.01680	0.8
55.01877	8.4
55.05513	9.8
56.61783	1.0
57.03438	5.1
57.07055	1.4
59.01584	0.9
65.03933	1.6
67.05508	30.9
69.03408	1.1
69.07069	18.3
70.83657	2.2
71.04987	2.4
79.05495	23.7
81.03411	4.1
81.07058	41.3
81.07533	2.4
83.04982	4.4
83.08629	6.6
85.06521	1.8
86.09711	2.6
87.04458	1.4
89.06036	7.3
91.05480	29.0
91.06026	1.9
93.06482	1.8
93.07050	27.2
95.01338	5.0
95.04977	5.7
95.08609	19.6
97.02879	1.2
97.06528	18.4
97.10123	1.7
99.08116	1.1
105.07037	34.0
107.04950	7.6
107.08595	18.6
108.08919	1.0
109.06534	2.9
109.10155	5.5
111.08067	3.6
113.09657	1.2
115.05461	1.3
117.07019	8.4
119.08577	18.2
121.10154	9.4
123.08078	2.1
123.11712	2.2
124.99984	1.1
125.09619	1.2
129.06990	1.9
129.78081	1.0
131.08553	11.4
133.08684	4.6
133.10133	22.6
135.08037	2.5
135.11713	6.2
137.09641	1.6
142.07739	1.0
143.08588	2.4
145.06554	1.3
145.10133	11.2
147.08165	1.1
147.11667	8.7
149.09627	3.5
149.13254	9.3
151.07593	1.3
151.11143	1.7
155.08553	1.4
157.10123	3.2
159.11694	8.6
161.13211	2.4
163.11160	2.4
165.09062	1.2
169.10132	1.6
171.11682	2.6
173.13171	1.2
177.11307	1.7
177.12801	3.2
179.14314	5.4
183.11676	1.7
184.07307	8.6
187.11234	1.8
187.14888	1.4
195.13741	2.8
199.14748	1.5
227.12846	1.7
239.18066	1.5
257.19077	3.5
269.17480	31.4
275.20068	35.7
279.16025	1.8
283.15564	1.5
293.21082	1.5
335.25848	4.1
349.23712	13.0
543.36847	100.0
544.37366	5.1
561.37457	1.5
571.81921	1.1
599.49353	1.4
687.42108	1.2
708.35852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01868	3.2
55.05511	17.7
55.50629	0.8
55.94321	1.0
56.60977	0.9
57.03445	10.5
57.07056	1.8
61.02927	0.9
65.03926	1.4
66.79177	0.8
67.05508	44.6
67.25789	0.8
68.33543	1.0
69.03415	1.4
69.07067	12.7
70.75382	3.1
71.04980	2.6
73.02914	1.3
77.03905	1.2
79.05494	38.5
80.30511	0.9
81.03419	2.6
81.07056	46.2
83.04971	3.7
83.08624	10.8
85.06525	1.4
91.05480	16.1
93.07046	51.5
94.07362	1.3
95.04970	7.5
95.08607	58.1
97.02906	5.5
97.06535	4.8
97.10151	1.5
99.04458	3.6
103.05451	1.3
105.04573	1.1
105.07037	11.3
107.04970	9.0
107.08595	38.2
109.06498	2.3
109.10157	12.6
117.07021	11.0
119.08595	16.4
121.06493	5.5
121.10139	23.4
123.08006	1.7
123.11709	2.2
125.05976	2.2
130.07782	2.0
131.08536	4.9
133.10135	8.0
135.08052	2.3
135.11693	55.3
136.12019	1.1
139.07507	1.3
145.10126	32.8
147.11700	2.5
149.13275	3.9
159.11621	1.4
161.13217	1.8
163.11183	66.4
164.11560	1.7
173.09642	1.3
173.13289	1.6
181.12268	10.6
182.81760	1.0
209.11752	2.8
227.12785	89.3
228.13243	1.5
243.21080	2.6
248.20232	1.0
261.22144	7.3
283.15399	98.0
284.15698	1.9
317.24765	2.7
335.25809	100.0
336.26178	3.8
543.36823	86.3
544.37134	5.5
595.07233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01910	0.4
55.04255	0.4
55.05515	6.7
57.03434	1.0
57.07076	1.3
59.05013	0.4
61.10606	0.3
65.03931	2.1
65.43159	0.4
67.05505	29.1
69.07069	8.0
69.59105	0.7
69.59512	1.8
71.05008	0.6
79.05494	17.9
81.07058	29.5
82.07394	0.5
83.04999	0.6
83.08620	3.7
85.06571	0.4
91.05483	10.3
93.07047	17.6
95.04975	1.3
95.08609	20.0
97.06541	1.2
97.10178	1.4
98.06073	1.3
98.21527	0.5
98.98491	0.7
99.08113	0.7
101.43076	0.4
105.04531	0.5
105.07040	5.2
107.08598	8.3
109.06578	0.5
109.10159	7.5
111.08142	0.4
117.07029	1.6
119.08585	4.3
121.10142	7.9
123.11723	2.9
124.01571	0.5
131.08578	2.2
132.80702	0.5
133.10124	3.5
135.11678	3.7
137.13237	0.7
145.10165	1.4
147.11627	2.1
149.13307	1.7
159.11726	0.9
161.13246	2.1
163.14812	0.9
163.25339	0.4
173.13318	0.6
175.14832	1.1
177.16594	0.4
188.40259	0.4
191.18181	0.4
197.77187	0.4
236.69733	0.4
245.79060	0.4
261.22232	1.1
263.23758	1.8
304.26337	3.7
306.27908	4.4
317.24716	0.8
319.26498	0.6
335.25854	2.0
337.27292	1.5
437.18173	0.4
597.48779	100.0
598.49194	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	740.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05512	16.1
57.03427	5.3
60.08162	1.2
64.03016	1.5
65.03943	2.5
67.05505	37.2
69.03431	7.0
69.07068	23.0
69.80537	5.1
69.80950	2.7
70.06594	3.3
71.04974	1.9
79.05495	23.6
81.03417	4.7
81.07062	19.8
83.04972	4.3
83.08619	7.0
85.06538	2.0
86.09709	6.4
91.05482	97.0
93.07050	18.8
95.04966	7.3
95.08624	7.4
97.02875	9.3
97.06528	2.3
97.10171	7.5
103.05451	1.4
105.07031	43.8
107.04966	4.6
107.08588	12.4
109.06509	2.3
109.10188	7.8
111.08077	2.4
116.07100	2.5
117.07034	9.5
119.08611	10.4
121.06483	3.5
121.10149	4.7
123.08083	3.7
125.00005	3.7
125.09643	8.7
128.06305	2.5
129.07002	1.6
131.08591	8.8
133.06494	2.9
133.10136	100.0
134.10474	2.2
135.08043	3.2
135.11682	3.9
137.09515	1.8
142.07896	1.2
143.08574	7.1
145.10101	5.1
147.08073	4.9
147.11670	2.7
149.09555	1.8
149.13327	1.7
151.11220	3.2
157.10107	3.0
159.11719	3.0
161.09625	18.6
163.11232	1.6
171.11671	1.5
175.11092	1.9
179.10730	3.0
184.07370	15.4
189.11200	2.2
193.12195	1.3
195.13896	1.4
197.11758	2.3
199.11293	1.3
205.12128	1.5
223.13301	15.4
227.12779	2.3
249.14929	2.3
253.14355	53.4
255.17242	1.6
261.40198	1.3
273.18536	10.6
291.19550	69.5
292.19983	2.1
347.22147	3.3
365.23233	48.9
445.25842	1.7
463.26614	2.4
525.32019	5.1
543.33173	83.0
544.33081	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	738.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
55.05512	14.4
57.03429	6.5
65.03939	3.5
67.05508	56.3
69.07062	11.2
69.81305	12.5
79.05495	61.7
81.03400	6.9
81.06599	2.9
81.07056	47.1
83.04978	9.0
83.08601	6.2
85.06566	3.2
91.05484	51.8
93.07047	62.7
93.27623	2.3
95.04982	11.0
95.08055	3.5
95.08607	33.2
97.02846	2.8
97.06512	5.0
97.10184	3.5
98.20741	2.7
103.92314	2.5
105.07041	29.6
107.04975	4.5
107.08602	19.8
109.06492	3.6
109.10146	9.3
117.07006	7.0
119.08581	18.9
121.10124	9.4
121.99400	2.0
123.08064	5.4
128.06216	2.8
129.07018	10.9
131.08577	5.5
133.10126	9.0
134.99855	2.4
135.11665	4.4
136.31807	2.0
140.31380	2.5
143.08556	7.4
145.10141	10.2
147.07973	2.6
147.11691	19.3
149.13171	2.4
159.11670	2.8
161.13181	10.6
171.11707	16.9
189.12729	9.5
204.38664	2.5
207.13831	23.6
238.37965	2.1
261.22153	6.5
279.15732	3.9
279.34424	2.4
281.17480	57.7
328.36713	2.6
335.25824	41.4
347.35382	2.1
380.79977	2.3
541.38922	100.0
542.39014	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	738.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05027	0.6
57.03431	0.1
57.07072	0.4
58.06624	0.4
60.08162	6.0
63.38366	0.1
67.05499	0.4
67.46639	0.1
69.07055	0.1
69.44776	0.4
69.45201	0.5
70.06583	0.2
71.07374	3.3
71.08634	0.2
79.05486	0.3
81.03416	0.7
81.07045	0.4
83.08608	0.2
85.10181	0.1
86.09702	30.1
91.05473	0.1
93.07044	0.2
95.04977	0.2
95.08612	0.3
98.98457	2.9
98.99052	0.2
104.10737	2.1
105.07079	0.1
109.10159	0.2
125.00001	19.3
143.00952	0.1
152.17719	0.1
184.07335	100.0
185.07654	0.9
193.12228	0.3
202.07889	0.1
216.81645	0.1
267.15894	0.7
281.13766	0.1
313.27405	0.8
386.63745	0.1
496.34113	0.2
505.38773	0.6
682.68921	0.1
688.45410	7.0
689.45239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.4
53.03944	4.4
55.01859	5.2
55.05513	17.2
57.03440	13.9
59.04993	2.0
62.14818	1.1
67.05505	17.7
69.03419	3.2
69.07066	3.4
71.01340	1.4
71.04989	1.6
77.67648	1.0
79.05498	16.7
81.03419	74.1
81.07056	17.2
83.04982	5.0
83.08616	20.8
85.02907	2.3
85.06523	2.0
91.04912	1.6
91.05482	28.4
93.07047	19.8
95.04969	23.3
95.08611	6.8
97.02905	5.7
97.06535	3.7
97.10168	5.5
98.20763	2.9
99.00816	13.7
99.04480	1.4
99.08154	1.3
103.05505	1.7
105.07037	20.7
107.04961	12.3
107.08603	7.7
109.02879	13.2
109.06503	5.9
109.10157	4.4
111.04459	2.5
111.08092	7.4
113.06006	1.3
115.03928	2.4
115.05428	1.3
117.07012	2.8
119.04949	1.4
119.08592	17.8
121.02891	1.5
121.06503	9.8
121.10145	3.5
123.04459	1.9
123.08069	1.9
123.11715	2.2
125.09637	7.1
127.03936	1.3
129.07001	7.3
131.08566	9.9
133.06502	4.9
133.10133	36.5
135.08038	2.9
137.06009	1.9
137.09566	1.2
139.07549	3.1
142.07780	2.9
143.08578	4.3
145.10110	1.8
147.04459	2.2
147.08015	5.2
147.11688	5.8
149.09616	4.3
151.11186	12.4
153.09125	1.4
154.59132	1.1
157.10120	9.0
161.09625	19.0
163.11145	2.7
171.08057	4.4
175.11183	7.2
179.10637	9.9
189.09135	11.9
189.10910	2.2
193.12247	19.1
197.11754	2.3
207.06480	1.4
207.10237	2.6
211.13304	1.9
219.13811	9.1
225.11195	10.2
227.12794	4.8
237.14743	1.2
243.12354	2.1
249.15198	1.4
263.12680	1.1
267.15918	97.5
268.16122	2.3
270.16473	1.1
281.13788	6.0
299.14893	76.6
381.20599	2.2
389.22974	1.5
399.21600	1.3
407.24411	1.4
411.93390	1.3
417.22760	2.3
445.25925	10.8
455.14127	1.1
459.27319	4.2
463.26965	7.9
473.25427	29.8
477.28558	2.5
491.26416	100.0
492.26743	4.0
509.27557	3.1
533.27148	3.4
584.16174	1.2
617.29553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42502	1.9
53.03930	7.2
55.01859	7.7
55.05275	3.2
55.05515	43.7
57.03437	15.2
57.07070	5.2
58.05325	2.3
59.05006	4.1
61.02936	19.2
65.03933	4.1
67.05509	71.6
67.05878	3.9
67.27675	2.4
69.03431	21.3
69.07067	24.5
71.04984	17.3
73.02928	13.3
79.05492	53.2
81.03418	26.8
81.06600	3.7
81.07057	68.5
83.04972	9.9
83.08617	20.5
85.02907	25.9
85.06518	4.3
87.04462	2.3
88.18988	2.1
91.03967	12.0
91.05482	53.0
93.06491	4.7
93.07049	59.4
95.04952	13.7
95.08614	47.2
97.02899	21.4
97.06535	8.3
97.10161	18.8
99.04453	4.0
99.08088	5.6
101.02375	3.5
103.05473	3.4
105.07028	46.8
107.04916	5.4
107.07890	2.7
107.08600	36.9
109.02889	6.1
109.06516	8.4
109.10162	24.2
111.04436	3.8
111.08063	6.7
115.05439	4.2
117.07024	31.5
117.81297	2.3
119.08589	35.6
121.06492	7.0
121.10142	23.7
123.08070	6.8
123.11734	5.6
125.09650	15.9
127.03925	7.6
127.07565	3.2
128.06224	9.4
129.07013	28.0
130.07773	4.6
131.08563	40.1
133.06424	3.1
133.10132	26.6
135.08026	8.4
135.11731	10.9
137.09590	4.2
139.11214	2.9
141.07011	11.6
142.07755	7.4
143.08591	24.1
144.09306	3.6
145.06447	4.6
145.10136	34.6
147.08049	8.5
147.11697	16.8
149.09615	8.4
149.13219	3.8
151.11168	2.4
153.07028	3.0
153.08971	2.2
154.07770	4.4
155.08517	13.5
156.09370	2.9
157.10123	26.3
159.08069	6.5
159.11699	28.0
161.09610	5.2
161.13242	6.7
163.11234	5.5
167.08554	8.1
167.10632	2.5
168.09357	3.0
169.10150	20.5
171.11716	21.4
173.09578	11.4
173.13220	18.5
175.11157	7.0
175.14813	3.4
177.12737	2.4
178.07823	2.4
181.10132	9.6
183.11681	19.2
185.09677	3.9
185.13228	16.0
187.11098	3.5
187.14824	4.5
189.11205	10.8
189.12717	3.7
193.10152	5.4
193.12173	5.9
195.11662	12.0
197.13348	14.1
197.14740	2.8
199.14841	6.0
207.11690	7.5
207.26305	2.3
209.13344	10.8
211.13181	5.4
211.14909	5.2
213.16347	3.9
221.13280	5.5
223.14943	4.3
225.12859	2.3
227.12723	11.4
235.14828	5.3
237.16325	3.7
241.19769	2.8
259.20593	4.4
267.15912	3.8
273.18478	7.3
283.20560	7.3
285.22043	6.3
287.20026	3.2
291.19492	15.1
297.22092	3.8
299.20309	4.0
299.23697	10.1
301.21698	3.7
325.21588	3.1
327.23331	3.3
339.23361	2.9
351.23013	3.6
361.23428	3.2
365.23334	9.5
415.29660	6.0
421.25656	3.7
429.20901	3.8
433.31253	18.9
443.27863	7.3
451.32150	13.1
461.28979	5.8
465.33627	3.3
469.32919	7.8
471.31848	3.4
483.34607	3.1
499.34604	3.1
507.34537	9.7
517.35236	27.3
523.33502	2.6
525.35785	85.9
526.36096	3.3
543.36835	100.0
544.36884	4.7
557.39240	15.8
567.36981	2.8
575.39722	36.4
679.40045	5.5
687.39923	5.7
705.41345	5.4
719.40710	4.6
737.42719	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	736.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05513	13.7
57.03438	7.2
57.07078	30.2
58.06601	1.2
59.04989	3.6
61.02929	3.0
65.03937	2.7
67.05507	50.2
69.07066	10.8
69.33079	1.3
71.04989	18.7
71.08632	23.0
71.50462	1.5
74.09697	1.4
79.05492	12.8
81.07056	87.2
83.04974	1.8
83.08626	14.9
85.02905	2.9
85.06548	6.8
85.10182	15.5
86.09696	2.5
91.03936	1.5
91.05477	16.9
93.07050	13.2
95.04953	1.7
95.08604	26.0
97.06527	2.8
97.10184	7.2
103.07562	1.4
105.07011	7.2
107.08581	9.7
109.06509	2.3
109.10146	14.7
111.11649	1.5
113.05923	1.3
117.07004	2.8
119.74863	1.2
121.10162	3.6
123.11710	17.8
124.99966	2.0
133.10144	14.0
135.11697	2.2
143.08501	1.6
149.13280	3.8
151.11189	7.9
159.11685	4.4
177.12775	2.2
183.13812	1.8
184.07364	8.6
187.02652	1.3
187.13232	4.9
236.14981	1.9
239.23698	2.0
269.17603	6.2
301.20114	16.4
313.27338	21.5
335.25543	1.3
335.86649	1.5
349.21677	1.7
367.22501	1.6
388.96225	1.3
481.38879	94.7
482.39053	3.5
495.40292	5.5
507.40573	7.6
509.42282	1.5
539.43060	100.0
540.43066	4.3
595.46722	4.7
627.00940	1.4
737.50635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	3.2
55.01820	0.8
55.05442	10.7
55.05742	1.7
56.19221	0.4
57.03365	3.9
57.03673	1.0
57.07003	3.3
58.06525	16.9
58.06837	2.2
59.04951	1.0
59.06882	0.9
59.07312	5.1
59.07627	1.1
60.07644	0.6
60.08086	4.7
60.08409	1.2
61.36477	0.5
65.03853	1.7
67.05424	32.6
67.05825	3.7
69.03361	0.9
69.06985	8.2
69.55414	1.0
69.55830	2.2
71.04935	1.1
71.08546	1.6
74.05991	0.6
74.09634	8.2
74.10082	0.8
74.13802	0.5
75.04433	0.8
77.03849	0.7
79.05405	33.5
79.05907	2.7
81.06971	30.3
81.07495	2.3
83.04894	1.5
83.08533	4.0
85.02818	1.3
85.06470	0.9
85.10094	1.1
86.09615	0.6
87.04366	2.3
89.05962	0.6
91.05482	19.2
93.07046	38.4
93.07593	2.1
94.07300	0.6
95.04961	3.9
95.08607	23.7
96.07724	0.5
97.06461	1.3
97.10092	1.3
98.05989	1.3
98.21507	0.7
98.98392	0.6
105.04421	1.7
105.07034	9.7
107.08597	15.7
109.06449	0.9
109.10156	7.0
111.08048	0.9
113.05948	1.0
115.05356	0.7
117.07026	3.0
119.08591	7.5
121.10152	14.2
121.10983	0.6
123.07995	0.5
123.11617	1.7
131.06993	1.0
131.08569	6.8
133.10112	4.6
135.11697	6.7
144.10199	8.3
145.10097	3.2
147.11670	2.5
149.13168	2.1
159.11694	3.0
161.13135	2.1
162.11269	2.9
171.13461	0.6
173.13177	1.5
236.14929	51.0
237.15263	9.8
238.15306	2.3
243.20982	0.9
252.95247	0.5
261.22119	3.1
304.26288	6.1
317.24640	2.1
327.47144	0.5
335.25818	4.3
456.36819	2.5
457.37436	1.0
458.37338	0.9
474.37906	6.1
475.38486	2.3
476.38443	1.8
480.36542	1.1
497.36548	1.5
498.37872	2.1
550.68036	0.6
595.47223	100.0
596.47650	5.2
673.10162	0.5
735.59698	4.1
736.60474	60.3
737.60950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38759	0.5
53.00288	2.3
53.03933	1.5
55.01854	2.0
55.02097	0.5
55.05507	11.0
57.03437	10.7
57.07076	25.5
59.04974	2.1
60.08134	1.0
61.02925	3.1
62.31189	0.6
65.03905	0.5
66.36260	0.6
67.05503	13.4
69.03411	1.4
69.07066	6.4
69.40109	4.5
71.01347	1.1
71.04958	0.9
71.07335	0.6
71.08248	1.0
71.08628	18.7
73.02917	1.3
79.05496	5.7
81.03391	2.3
81.07053	18.0
83.04956	1.7
83.08165	0.7
83.08619	12.6
85.02898	3.8
85.06539	1.0
85.10176	10.9
86.09708	4.8
89.06006	1.5
91.03954	0.7
91.05479	12.4
93.07043	10.0
93.89258	0.5
94.79046	0.6
95.04943	2.5
95.08602	13.8
97.02882	5.1
97.06508	1.6
97.10172	4.1
99.00807	12.1
99.04372	0.8
99.08068	0.6
101.94077	0.5
103.05439	1.0
103.07590	1.2
104.10762	0.6
105.07021	9.9
107.04936	4.3
107.08590	5.3
109.02887	8.1
109.06505	1.7
109.10152	8.4
111.04405	1.1
111.08059	2.4
111.11676	0.7
113.05952	0.7
115.03913	1.8
117.06979	1.7
119.04948	1.0
119.08593	5.0
121.06500	5.2
123.04426	1.1
123.08034	1.0
123.11709	4.0
124.99997	3.9
125.46967	0.7
127.03925	2.7
128.06216	0.9
131.08525	0.6
133.06473	1.3
133.10129	25.5
134.10477	0.6
135.08070	1.2
135.11641	0.8
137.05948	0.9
137.09605	1.1
137.13235	0.8
139.07527	1.8
143.08578	3.4
145.06516	0.9
147.04492	0.6
147.08052	0.6
151.11180	7.6
161.09619	13.8
163.11195	0.9
171.08023	2.1
178.54198	0.6
179.10663	7.8
180.57249	0.5
181.82439	0.6
184.07341	18.6
189.09116	7.9
197.11679	1.9
207.10184	2.3
225.11218	8.1
239.23758	2.0
243.12277	3.0
257.24704	1.4
281.13824	4.9
299.14883	100.0
300.15302	1.6
313.27356	84.3
314.27686	2.2
537.37854	53.0
538.37994	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	733.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06993	3.0
55.05511	2.9
56.79218	2.8
57.03438	7.2
57.07079	100.0
57.12765	2.6
58.04217	9.1
59.05002	35.1
59.07378	3.2
60.08170	3.7
60.74271	3.0
63.43215	2.4
67.05502	8.9
69.07047	6.7
71.04983	4.7
71.08633	74.4
72.05791	16.1
73.02919	12.0
73.06557	30.9
79.05497	3.9
81.07056	9.3
82.07867	3.4
83.08632	5.5
83.50446	2.7
85.10189	51.6
86.09708	12.7
87.04468	37.8
88.05278	4.2
89.06031	48.2
90.01916	70.3
90.93430	2.8
91.05499	5.5
93.07047	3.0
95.08618	6.8
97.10161	6.6
99.11737	5.1
101.06034	4.3
103.07603	22.5
116.08364	4.1
117.09136	28.3
121.10207	2.8
123.11716	3.3
123.64896	2.8
125.00038	7.5
131.06940	3.3
133.08597	22.0
135.11710	4.7
147.10123	4.7
155.17929	4.6
161.11789	7.7
163.11127	3.7
177.11243	6.1
178.07121	7.3
179.12770	3.5
180.12311	3.2
183.17453	6.2
184.07349	42.0
197.51581	2.8
208.15463	7.7
213.22148	6.0
222.09764	10.4
222.17027	6.2
236.14926	12.6
252.18068	6.3
257.24747	4.8
266.12277	3.5
266.19653	8.1
268.17615	4.6
271.16400	2.9
283.15417	2.9
285.17978	3.6
296.20657	9.3
310.22281	11.7
312.19977	3.4
313.27499	9.6
326.21814	6.8
340.23157	7.4
342.21857	2.7
354.24869	5.2
362.32281	3.3
369.81982	2.9
384.26315	2.6
406.35251	8.5
450.37964	4.3
466.38098	3.7
494.40421	17.9
522.38562	4.1
582.45758	26.5
642.48102	5.3
733.43439	11.4
733.57678	3.6
734.59326	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	733.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.30473	0.5
55.01863	0.7
55.05507	2.5
55.20679	0.6
57.03429	1.5
61.02927	4.0
67.05505	5.4
69.03450	3.3
69.07065	2.5
71.01342	0.6
71.49722	0.9
73.02928	2.9
79.05494	7.5
81.03423	2.0
81.07060	6.4
82.22897	0.6
83.05006	1.6
83.08630	0.8
85.02911	3.5
88.10675	0.6
91.03951	2.8
91.05484	5.1
92.76746	0.6
93.07045	7.6
95.05006	1.2
95.08618	3.7
96.41666	0.5
97.02888	4.1
97.06522	1.1
97.10156	1.3
99.04459	1.4
101.02392	1.3
105.07037	3.0
107.04985	1.0
107.08582	5.1
109.06550	0.8
109.10161	1.6
117.07030	1.6
119.08594	3.0
121.10136	1.8
123.11700	0.6
125.09652	0.6
127.03911	1.5
129.07045	1.3
131.08577	2.3
133.10170	2.2
135.11708	4.3
145.10159	1.8
147.11711	1.6
157.10181	1.0
159.11714	1.2
169.10114	0.7
171.11722	0.7
172.42349	0.6
184.07372	1.5
185.04205	0.6
185.39056	0.6
203.05289	0.7
243.08527	2.6
275.19949	0.6
291.19672	0.8
301.08893	1.4
429.17230	1.3
437.34314	0.7
439.19495	10.8
511.21829	1.1
535.28967	4.9
553.35846	0.7
733.41339	100.0
734.41620	4.8
749.46277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.9
55.05508	1.8
55.14996	0.9
57.03403	0.9
57.07076	71.2
59.04996	11.0
60.08160	2.6
67.05504	2.0
68.69520	1.1
69.03401	0.8
69.07037	1.5
71.07374	1.7
71.08633	46.5
73.02907	1.4
73.06557	4.6
79.05451	0.9
81.07041	1.2
83.08674	1.1
85.09663	1.6
85.10182	41.7
86.09715	12.7
87.04472	16.5
89.06030	100.0
98.20712	1.5
98.98481	1.2
99.11716	7.2
100.59164	1.0
103.07572	8.0
113.13278	2.4
117.09132	3.8
125.00028	8.7
131.07060	7.0
133.08606	68.5
155.17957	3.8
156.51215	0.8
175.09653	4.3
177.09676	1.7
177.11215	28.7
184.07347	37.5
213.22107	4.9
221.13744	4.0
228.94037	0.9
239.14876	1.1
257.24814	3.8
265.16568	1.2
267.68527	0.9
276.81717	0.9
299.14999	1.2
301.59363	0.9
309.19168	1.7
327.20593	1.0
459.27899	1.4
503.30603	5.4
677.68854	1.1
681.65729	0.9
732.46307	1.7
732.56580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
56.46395	0.7
57.03431	1.5
57.07075	100.0
59.05000	29.7
59.05297	1.4
60.08162	2.5
61.31962	0.8
67.05526	1.7
69.07073	3.2
69.22911	5.7
69.82346	0.9
71.08631	95.0
73.06577	1.9
79.05499	1.3
81.07063	1.5
82.10703	0.7
83.08611	3.5
85.10181	87.8
86.09710	11.2
86.10518	1.0
87.04469	13.1
87.10044	2.0
89.06030	82.8
91.05473	1.0
93.07032	1.2
95.08632	1.6
97.10162	2.0
98.21548	1.8
98.98438	1.0
99.11726	11.0
101.09686	1.7
103.07578	1.4
104.10760	0.9
107.07085	0.9
109.10181	0.8
111.50423	0.7
117.09134	6.9
125.00011	8.8
130.08655	1.6
131.07051	4.5
133.08603	62.5
134.08945	1.0
135.10228	0.9
135.96881	0.8
141.16374	11.0
141.17342	0.8
147.10173	1.0
175.09688	3.9
177.11229	26.4
184.07335	34.7
185.07709	5.9
186.07887	2.8
186.09633	0.6
199.20570	21.6
219.12292	1.5
221.13876	5.0
223.97861	0.8
240.23181	1.0
257.24744	7.7
265.16559	2.0
272.55344	0.8
283.17560	1.1
309.19324	1.1
311.25876	1.4
327.20142	1.1
353.21909	1.0
415.25412	1.9
449.31610	0.8
459.27859	9.8
459.32758	0.7
499.31500	1.4
535.36859	1.2
732.45013	1.3
732.55896	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05494	0.3
55.01869	0.3
55.05510	3.8
56.04789	0.5
56.05038	5.4
57.03440	0.7
57.07076	2.8
59.16946	0.2
60.04526	73.8
61.02905	0.2
61.04867	0.3
67.05505	3.0
69.07065	3.5
70.06589	2.0
70.23227	1.0
71.05006	0.4
71.08639	1.5
72.04517	0.8
74.06071	2.3
75.79947	0.3
79.05492	2.0
81.07053	3.9
82.06594	0.8
83.04968	0.6
83.08617	2.8
85.10189	0.5
86.06091	0.9
86.09695	1.5
90.05555	1.1
91.05486	1.0
93.07050	1.7
95.04967	0.3
95.08604	3.6
96.08142	0.5
97.06539	0.4
97.10172	2.1
105.07036	0.5
107.04982	0.3
107.08603	1.1
109.10194	1.5
111.11741	0.4
116.66313	0.2
119.08585	1.8
121.10165	0.8
123.11702	0.6
125.09671	0.5
133.10097	0.4
133.11105	0.2
133.12329	0.3
135.08032	0.4
135.11676	0.4
159.09274	0.3
184.07362	0.8
227.12842	0.9
245.13974	0.5
252.26897	2.0
254.28386	1.5
256.26431	0.5
264.26874	2.5
265.25323	0.7
270.27847	2.3
273.18250	0.3
282.27896	12.5
283.28354	0.4
291.19464	0.8
300.28952	12.3
316.28534	0.4
317.28873	0.9
318.30020	100.0
319.30313	3.4
365.23117	0.3
535.32379	0.7
686.40808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88374	0.7
55.01856	0.9
55.05513	1.6
57.03431	1.8
59.99627	0.6
61.02926	4.2
67.05508	6.4
69.03434	3.2
69.07059	1.3
70.06595	2.0
71.04991	3.5
71.49317	1.1
72.08160	0.8
73.02911	2.3
79.05506	2.7
81.03415	5.0
81.07038	3.9
83.04962	1.5
83.08617	1.0
84.08170	0.9
85.02905	5.5
85.06534	0.7
86.09720	0.8
87.04472	0.8
91.03960	2.0
91.05479	5.8
93.07055	3.3
95.04990	1.7
95.08640	2.0
97.02905	3.2
99.04485	1.2
101.02391	0.8
105.07050	2.4
107.08621	2.8
109.02876	1.3
109.10188	2.7
113.20166	0.7
117.03390	0.9
119.08624	3.1
121.06562	0.7
121.10186	2.4
127.03935	2.3
131.08566	1.8
133.10179	1.7
135.11717	2.2
137.09653	1.8
145.02885	2.0
145.10149	1.3
147.11722	1.4
149.09657	1.9
157.10147	1.0
163.11180	1.2
175.11206	1.0
177.05499	4.0
183.85687	0.8
193.12305	1.0
201.14911	1.0
243.08482	1.6
253.14139	1.2
283.15152	3.5
309.17007	0.8
321.68634	0.8
371.17044	0.7
372.24756	0.9
377.60172	0.7
471.22046	9.1
501.23090	8.6
699.36505	0.9
731.38263	100.0
732.38647	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05511	1.3
57.03430	1.6
57.07077	1.7
59.04991	1.1
61.02925	4.5
67.05503	6.2
69.03426	2.7
69.07071	1.0
69.37392	0.3
71.04996	0.9
71.08636	1.3
72.61232	0.4
73.02917	4.7
79.05495	3.0
81.03425	1.9
81.07053	6.7
83.04990	0.7
83.08618	1.3
83.70670	0.4
85.02902	4.9
85.06541	0.6
85.10181	0.7
87.04473	0.4
89.06057	0.5
91.03959	3.0
91.05495	1.7
93.07047	4.7
95.08601	4.6
97.02895	4.3
97.06514	0.5
98.21532	0.9
99.04450	0.8
99.08144	0.4
101.02375	1.4
103.03949	0.5
105.07029	1.2
107.08593	2.9
109.02902	1.2
109.10171	1.5
115.03905	0.4
117.07017	0.5
117.09182	0.4
117.38820	0.3
119.08642	1.1
121.10149	2.7
125.09590	0.4
127.03923	1.3
131.08591	1.1
133.08643	0.5
133.10127	0.9
135.11737	1.2
146.78755	0.4
149.13309	1.5
153.04292	0.4
159.11768	0.7
163.11211	0.3
184.07401	1.2
185.04303	0.8
235.13100	0.8
243.08411	1.3
291.15750	0.5
335.25922	1.3
453.21033	4.3
489.36151	0.5
519.29333	6.9
642.47229	0.4
731.43384	100.0
732.43567	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	731.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01855	2.8
65.03923	1.3
68.99783	1.0
69.03422	1.8
70.06593	4.8
71.29455	1.1
72.08131	2.0
79.01852	3.6
79.05487	1.5
81.03419	3.8
81.07041	1.5
82.37282	0.7
84.04506	1.2
84.08115	1.9
85.02921	4.0
86.09691	3.4
91.05450	2.8
93.03390	2.8
93.07026	1.1
95.04948	1.1
97.02863	1.8
103.05460	2.0
103.70770	0.6
105.07022	0.9
107.04948	5.4
109.02873	3.8
111.04440	1.6
115.05402	0.8
117.03382	1.0
119.04950	7.6
120.08073	1.4
121.02871	12.4
121.06519	1.8
123.04378	1.0
127.03876	1.3
129.10225	1.8
130.06482	0.8
131.04910	2.2
133.02870	1.9
133.10162	0.8
135.04413	7.4
136.07573	1.7
137.02350	9.3
137.03351	1.4
137.05959	2.4
139.03920	1.5
141.01811	2.8
143.04936	0.8
144.88693	0.8
145.02837	3.0
145.06450	0.9
147.04399	2.8
149.05983	0.9
151.03886	1.7
153.01811	2.3
155.18918	0.7
159.04378	1.9
161.02417	3.5
161.05957	1.6
163.03860	2.4
165.01836	14.2
167.03415	1.0
167.07036	0.7
168.04144	0.7
171.04420	1.6
173.06010	1.2
175.03847	4.0
177.01837	12.7
177.05450	2.8
179.03400	4.9
183.02905	5.7
187.03926	0.9
189.01823	5.8
189.05475	2.0
191.03394	2.3
195.02902	20.7
199.03903	2.5
203.03395	19.0
207.02858	7.5
207.06384	1.4
213.05470	2.6
215.03412	3.4
217.04932	9.0
221.04422	4.4
225.03781	1.0
227.03477	3.3
229.04872	1.4
231.02838	0.9
235.05962	1.4
243.02879	5.1
245.04445	1.3
255.02829	6.5
267.06400	2.6
268.07385	2.2
271.05960	13.7
273.03995	3.4
279.06546	2.1
281.08322	0.7
283.06012	70.4
284.06656	4.4
287.05481	10.7
295.06009	71.8
296.06622	4.3
297.07642	2.9
299.05496	42.1
300.05945	1.7
307.06116	4.0
309.07602	3.1
311.05481	100.0
312.06131	5.2
313.07016	7.5
321.07562	15.1
323.05560	6.1
323.09271	1.2
325.07047	40.0
326.07465	0.8
329.06406	4.5
333.07639	2.9
335.09103	7.7
337.07001	24.7
339.08472	1.5
341.06567	52.3
345.07465	2.2
349.03378	0.8
349.07031	24.0
351.08612	14.5
353.06488	2.6
361.07068	17.0
363.08560	2.0
365.06552	35.9
367.07996	1.0
373.07184	4.9
377.06522	19.3
379.08133	22.1
383.07617	1.5
389.06558	6.5
391.08160	13.2
395.07623	27.4
407.07651	17.7
409.09186	13.3
410.09509	1.0
415.10193	2.6
425.08664	19.9
427.10291	8.4
431.09772	3.6
443.04135	1.3
443.09747	13.6
461.10764	1.7
466.30798	0.9
569.10864	1.1
593.10602	2.0
611.11975	6.5
635.11517	2.9
695.13550	2.5
699.25806	0.9
713.14935	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	730.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
57.03423	2.0
57.07077	100.0
59.05004	35.4
67.05499	0.8
69.07045	2.2
70.15271	1.4
70.15664	1.6
71.08633	73.5
81.07037	1.2
83.08636	1.7
85.10184	61.5
86.09691	2.3
87.04466	4.8
89.05493	1.3
89.06034	25.5
93.07038	0.9
97.10180	3.3
99.11739	11.0
101.05978	1.1
101.09644	3.0
103.07580	0.9
104.10732	0.9
107.07084	1.0
109.20739	0.7
111.11654	1.0
113.13280	4.2
117.09142	16.4
124.99974	2.1
133.08600	19.0
138.11653	0.7
155.17932	8.9
158.11722	0.8
177.11252	8.2
184.07332	5.3
213.22150	16.9
221.13846	1.7
232.17242	0.7
271.26321	19.1
283.17566	1.4
307.07541	0.9
327.20105	6.4
329.30289	1.0
385.24539	1.9
589.16669	0.7
604.32825	0.7
608.36237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01892	0.5
55.05517	2.7
56.05044	3.3
57.07070	1.3
60.04528	68.5
67.05503	7.4
69.03429	0.6
69.07072	3.5
70.06606	1.0
71.20956	0.4
71.49769	0.6
72.04513	1.9
72.35374	0.4
74.06071	1.3
79.05495	4.4
79.05885	0.7
80.05026	0.5
81.03442	0.6
81.07059	6.7
82.06580	1.1
83.04990	0.9
83.08614	2.9
86.06055	0.7
86.09719	1.4
87.29245	0.4
90.05554	1.4
91.05486	3.1
93.07066	2.9
94.06581	0.9
95.04990	1.0
95.08604	6.3
95.80410	0.5
96.08141	1.0
97.06537	0.6
97.10181	1.4
100.07648	0.5
100.11886	0.4
105.07059	1.7
107.08602	2.0
109.06591	0.5
109.10138	2.3
112.07616	0.4
116.07088	0.6
119.08601	3.2
121.10162	1.6
123.11696	0.9
125.00024	1.4
133.10110	1.4
135.11679	0.7
147.11577	0.6
159.96028	0.4
179.99409	0.4
184.07359	3.7
250.25308	1.3
262.25342	1.2
268.26352	0.8
280.26413	7.0
283.47232	0.5
296.25729	0.6
297.26135	0.9
298.27429	10.4
316.28470	100.0
317.28836	2.5
436.63922	0.5
601.75146	0.5
662.35114	0.5
731.35162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.05510	0.6
56.05034	0.6
57.03458	0.4
58.06372	0.2
58.06635	0.5
60.08168	5.8
63.43086	0.2
67.05504	2.2
67.65806	0.2
69.07078	0.2
71.07383	3.2
71.49605	0.3
79.05507	1.3
80.81155	0.2
81.03425	0.3
81.07073	1.4
86.09708	31.0
87.10041	0.4
89.06023	0.2
91.05485	1.2
92.05831	0.2
93.07060	1.4
95.04947	0.3
95.08598	1.1
98.98473	3.5
104.10754	2.0
105.07028	0.8
107.08605	0.8
109.10175	0.9
117.07048	0.2
119.08597	0.7
120.08916	0.2
121.10130	0.4
125.00012	21.9
125.09624	0.2
131.08554	0.3
133.10138	0.9
135.11681	0.5
137.09605	0.2
145.10133	0.3
147.11688	0.3
149.02388	0.2
157.75613	0.2
163.11221	0.2
184.07349	100.0
185.07652	1.3
255.16058	0.3
261.22299	0.2
271.15359	0.4
272.15738	0.5
273.13266	0.3
273.16681	0.4
323.95935	0.2
335.25836	0.9
336.26224	0.6
337.26447	0.3
468.23654	0.2
489.35733	0.9
528.86011	0.2
531.36755	0.2
532.37061	0.3
533.37775	1.2
730.46429	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	729.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05507	1.3
57.03429	1.8
61.02927	4.8
67.05514	4.0
69.03441	3.1
69.07072	0.8
71.01340	0.8
71.05002	5.9
71.49764	0.8
72.82299	0.6
73.02917	3.6
79.05496	2.1
83.08599	0.8
85.02930	3.8
85.06544	1.1
86.09708	0.8
91.03967	2.7
91.05468	5.4
91.68851	0.5
93.07030	3.1
95.04993	0.9
95.08616	1.6
97.02883	3.6
97.06544	1.1
97.10199	0.7
99.04458	1.4
101.02403	1.5
103.03922	0.7
105.07029	2.6
105.46280	0.6
107.04939	0.6
107.08594	2.7
109.02923	0.9
109.10159	1.4
111.08135	0.7
115.03934	0.5
116.68035	0.5
117.06995	1.1
119.08573	0.8
121.10210	0.6
123.11715	1.6
127.03941	1.3
131.08626	1.2
133.10126	2.6
149.13200	1.3
151.11221	1.6
159.11745	0.8
184.07404	1.5
187.13362	1.6
203.05290	0.6
243.08485	1.7
243.15875	0.6
257.17462	1.1
267.15796	2.3
323.18365	1.1
453.21371	0.9
485.23621	14.6
586.47809	0.7
729.40308	100.0
730.40729	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	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08534	1.8
52.33281	1.7
55.01860	5.0
55.05512	13.6
57.03436	10.6
57.07066	2.9
60.08146	4.9
63.04195	2.0
65.03919	2.9
67.05505	39.7
67.86123	1.6
69.07068	11.7
71.05003	2.7
71.07360	3.9
74.09742	2.1
75.61003	1.6
79.05070	3.1
79.05495	37.8
81.03434	3.3
81.07060	29.4
83.04981	8.9
83.08619	6.7
85.06495	2.0
86.09706	29.6
89.06022	2.2
91.05485	34.8
93.06490	3.5
93.07045	47.4
95.04975	3.0
95.08617	17.3
97.06503	4.3
97.10169	6.5
98.97594	1.9
98.98435	3.7
99.08075	3.1
105.07039	29.4
107.05030	2.2
107.08595	26.9
109.10173	10.0
111.08108	2.0
117.07018	11.1
119.08588	26.7
121.10141	12.6
123.11694	1.8
125.00015	20.1
125.09628	4.2
128.63579	1.6
129.06956	4.3
131.08571	11.4
133.10141	27.1
135.11708	34.9
143.08536	4.9
145.10159	13.6
147.11691	18.2
149.13263	3.4
151.11168	2.5
153.12766	4.3
157.10086	4.0
157.61705	1.7
159.11676	8.7
161.13242	15.3
163.11171	4.7
171.11699	7.9
173.13292	5.4
175.14792	6.4
177.12860	2.2
181.12213	7.5
184.07344	100.0
185.13251	4.5
199.14948	2.5
206.14920	1.7
227.12785	4.8
228.95314	1.8
231.21109	3.0
238.57913	1.6
241.19496	17.0
253.14307	5.3
255.15891	40.6
259.18057	3.1
259.20581	38.0
315.23114	3.8
333.24307	19.2
421.31244	4.0
439.32083	4.3
485.76691	1.9
513.35846	29.0
531.36975	12.4
542.88416	1.8
728.44196	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	728.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05511	4.2
56.05030	1.2
57.03429	4.6
60.08170	6.9
61.02914	1.3
62.65553	0.7
65.03941	1.0
67.05505	26.1
69.03419	0.8
69.07065	4.1
71.07368	3.4
72.55371	0.8
79.05490	14.8
81.03423	2.1
81.07056	14.7
83.04981	1.2
83.08617	1.9
85.02914	2.5
85.06522	1.5
86.09705	33.9
91.05482	27.6
93.07048	13.4
95.04973	3.4
95.08611	11.6
95.16154	0.8
97.06532	1.0
97.10162	1.5
98.20692	1.3
98.98475	3.4
104.10751	2.2
105.07033	15.9
107.08591	7.9
109.06454	0.8
109.10147	6.1
111.08057	1.4
117.07038	3.6
119.08578	8.0
121.10131	5.8
123.08037	1.5
123.11697	2.3
125.00006	20.5
128.06163	1.1
131.08559	2.9
133.10135	27.5
135.11687	2.9
137.09642	1.1
143.08580	2.3
145.10118	1.8
147.11702	2.3
149.09532	1.8
149.13290	1.3
151.11172	4.2
159.11755	1.9
161.09648	5.6
161.13303	1.9
163.14876	1.1
165.00752	0.7
174.18997	0.8
179.10660	4.5
184.07343	100.0
185.07707	2.1
243.21060	1.0
253.14323	8.2
261.22092	3.8
269.13815	2.1
271.15390	14.6
335.22076	1.5
335.25830	20.5
351.25302	1.0
513.35889	4.3
525.75500	0.9
531.36829	29.9
532.37207	1.3
549.37903	1.2
576.15710	0.9
728.45135	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	728.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.05507	0.5
56.05029	1.4
57.03426	0.4
57.07080	0.2
58.06622	0.5
60.08163	7.4
64.38835	0.2
65.03925	0.2
67.05500	1.8
69.07058	0.2
69.17104	0.6
69.17529	1.2
71.07377	3.9
72.70336	0.2
79.05487	1.1
81.07054	1.6
83.05000	0.2
85.02916	0.2
86.09705	35.7
91.05483	0.9
93.07033	1.1
95.04956	0.3
95.08590	1.0
97.06490	0.2
98.97803	0.2
98.98468	3.5
104.10750	3.3
105.07059	0.8
107.08582	0.8
109.10151	0.5
119.08598	0.4
121.10143	0.4
125.00005	24.6
131.08493	0.2
133.10121	0.4
135.11681	0.4
145.10146	0.2
166.02751	0.2
166.73715	0.2
184.07339	100.0
185.07686	0.5
198.51532	0.2
261.22147	0.3
265.12851	0.2
271.15390	1.3
335.25815	1.4
425.99405	0.2
520.34229	0.4
531.36731	0.8
544.74969	0.2
728.45001	10.5
729.45685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.45
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80438	0.2
53.24272	0.1
53.68536	0.1
55.05496	0.5
56.05045	0.7
57.03430	0.3
58.06354	0.2
58.06620	0.5
59.07381	0.2
60.08165	6.0
67.05504	1.5
69.07056	0.5
70.06591	0.2
71.07374	3.5
76.63434	0.1
79.05497	1.1
81.03391	0.4
81.07055	1.5
81.07816	0.2
83.08611	0.4
84.08140	0.1
85.02895	0.2
86.09707	32.5
87.10045	0.2
91.05489	1.1
93.07041	1.3
95.04959	0.5
95.08620	1.2
97.10186	0.2
98.98470	3.5
104.10748	2.3
105.07037	0.8
107.08588	0.7
108.42460	0.2
109.10131	0.6
117.07072	0.2
119.08560	0.5
121.10136	0.6
123.11720	0.2
125.00005	21.7
130.57143	0.2
131.08588	0.4
133.10115	0.6
135.11667	0.3
137.09578	0.3
143.01064	0.2
143.08586	0.2
145.10179	0.3
147.11731	0.3
161.09764	0.2
178.15512	0.2
184.07341	100.0
185.07683	0.7
187.13165	0.2
190.25706	0.2
227.12863	0.2
236.27614	0.2
261.22229	0.3
271.15338	1.5
285.12244	0.2
303.73569	0.2
335.25812	1.6
502.33099	0.3
531.36615	1.2
565.63275	0.2
700.85413	0.2
714.20471	0.2
728.45038	5.1
728.57959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05507	2.3
57.03190	0.4
57.03424	2.5
59.04984	0.8
59.58507	0.4
59.65128	0.5
61.02924	4.2
67.05505	7.5
68.05824	0.7
69.03424	2.5
69.07060	1.8
69.51752	3.1
70.06602	1.1
71.04995	3.1
73.02916	3.2
76.08364	0.4
79.05490	4.8
80.74809	0.5
81.03412	7.8
81.07058	7.2
82.03709	0.7
82.07387	1.1
83.04988	1.5
83.08624	2.6
84.08158	0.8
85.02907	4.0
85.06538	0.6
86.09706	2.1
87.04494	0.6
91.03973	2.1
91.05481	6.8
92.05795	0.7
93.07037	5.3
94.07418	0.9
95.04977	3.2
95.08607	3.9
97.02908	4.0
97.06532	1.5
97.10201	0.7
99.04469	0.8
101.02376	1.3
101.25415	0.5
105.07020	3.7
105.93634	0.5
106.07360	0.5
107.04984	2.1
107.08595	4.4
109.02901	0.6
109.06545	1.4
109.10164	2.5
111.04551	0.6
111.08100	1.0
113.20853	0.5
117.07021	1.5
119.08557	3.1
120.08123	0.6
120.08937	0.8
121.06512	1.4
121.10152	3.6
123.04374	0.6
123.08104	1.1
123.11733	1.0
125.00051	0.5
125.09607	0.6
127.03998	1.0
129.07016	1.8
129.10217	0.5
131.08585	2.2
132.05156	0.5
133.06540	1.1
133.10129	1.9
134.10512	0.5
135.08043	0.9
135.11716	3.7
137.05997	0.8
142.07811	0.5
145.10132	2.5
147.08124	0.7
147.11731	1.7
149.09674	2.3
157.10184	1.1
163.11203	3.4
165.12750	0.6
175.03886	0.8
175.11252	1.6
181.12271	0.9
184.07359	3.1
185.07715	0.7
193.12282	2.2
207.06631	0.8
211.13182	0.7
219.13795	0.6
220.14227	0.7
224.23189	0.5
225.14899	0.7
227.12837	2.6
243.08434	2.7
246.31413	0.5
249.10995	6.9
257.56174	0.5
267.16061	2.2
268.16238	0.9
283.15189	2.8
305.13635	1.8
339.17920	1.1
344.23114	0.6
357.31754	0.6
404.77582	0.6
422.26349	0.7
430.26749	0.7
436.28018	1.2
441.21307	0.6
447.27377	1.2
448.27679	4.1
461.29059	2.9
462.29321	9.1
467.18936	11.6
478.29132	0.8
479.29202	1.3
480.29752	1.1
492.58014	0.5
494.32333	0.6
501.23053	12.8
727.35114	100.0
728.35449	6.4
736.75903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.6
61.02927	1.7
67.51652	0.8
69.03428	1.5
70.06573	1.3
71.48821	1.3
73.02920	8.0
73.40392	0.9
81.03400	0.9
84.08138	1.0
85.02908	4.2
97.02885	1.7
109.02858	1.6
119.04931	1.9
121.02847	6.0
121.60613	1.0
139.03917	1.3
139.99643	0.7
140.00735	0.9
144.08073	3.7
145.02831	2.6
147.04320	1.1
149.02353	1.3
150.05511	1.0
163.03894	2.7
165.01837	6.3
167.03404	2.8
177.01773	1.3
183.02824	1.5
191.03365	1.1
195.02895	2.7
203.03380	1.0
213.42041	0.9
215.03426	1.2
219.02986	1.1
221.39218	1.0
239.06879	1.4
243.02844	1.0
256.07388	1.1
261.03525	1.1
267.06497	10.3
268.07156	1.0
270.05258	4.3
271.05978	7.9
279.06671	1.2
280.07297	1.0
281.08084	8.4
283.06012	99.2
284.06741	10.8
285.07492	1.1
294.05252	2.1
295.06073	18.0
295.09433	1.9
296.06851	1.0
297.07547	3.5
305.08057	2.9
307.05939	3.8
308.06821	3.1
309.03912	2.0
309.07550	23.5
311.05612	1.5
313.07062	100.0
314.07291	2.2
320.06967	1.4
321.07596	3.3
323.05472	1.6
323.09125	16.2
325.07025	6.3
333.07645	4.4
335.05554	1.1
335.09192	1.4
337.07037	44.8
338.07327	1.6
347.09131	1.3
349.07065	13.5
351.08435	4.8
355.07932	2.2
361.07077	12.8
367.08075	7.7
379.08133	21.7
391.08035	2.4
397.09210	11.2
403.08212	1.9
409.09134	2.0
415.10239	11.0
421.09192	1.3
433.11020	2.2
439.09998	1.4
445.11459	7.0
457.11053	5.0
475.12390	28.9
485.67368	0.9
499.12442	14.0
511.12411	1.3
529.13416	22.8
541.13672	7.3
547.10712	1.0
559.14636	14.3
571.10657	1.0
577.15594	40.6
578.16284	1.9
589.11560	2.0
595.16571	30.5
596.16522	1.2
613.12366	1.5
631.13586	1.2
643.13208	1.0
655.12128	1.0
673.14264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.6
61.02927	1.7
67.51652	0.8
69.03428	1.5
70.06573	1.3
71.48821	1.3
73.02920	8.0
73.40392	0.9
81.03400	0.9
84.08138	1.0
85.02908	4.2
97.02885	1.7
109.02858	1.6
119.04931	1.9
121.02847	6.0
121.60613	1.0
139.03917	1.3
139.99643	0.7
140.00735	0.9
144.08073	3.7
145.02831	2.6
147.04320	1.1
149.02353	1.3
150.05511	1.0
163.03894	2.7
165.01837	6.3
167.03404	2.8
177.01773	1.3
183.02824	1.5
191.03365	1.1
195.02895	2.7
203.03380	1.0
213.42041	0.9
215.03426	1.2
219.02986	1.1
221.39218	1.0
239.06879	1.4
243.02844	1.0
256.07388	1.1
261.03525	1.1
267.06497	10.3
268.07156	1.0
270.05258	4.3
271.05978	7.9
279.06671	1.2
280.07297	1.0
281.08084	8.4
283.06012	99.2
284.06741	10.8
285.07492	1.1
294.05252	2.1
295.06073	18.0
295.09433	1.9
296.06851	1.0
297.07547	3.5
305.08057	2.9
307.05939	3.8
308.06821	3.1
309.03912	2.0
309.07550	23.5
311.05612	1.5
313.07062	100.0
314.07291	2.2
320.06967	1.4
321.07596	3.3
323.05472	1.6
323.09125	16.2
325.07025	6.3
333.07645	4.4
335.05554	1.1
335.09192	1.4
337.07037	44.8
338.07327	1.6
347.09131	1.3
349.07065	13.5
351.08435	4.8
355.07932	2.2
361.07077	12.8
367.08075	7.7
379.08133	21.7
391.08035	2.4
397.09210	11.2
403.08212	1.9
409.09134	2.0
415.10239	11.0
421.09192	1.3
433.11020	2.2
439.09998	1.4
445.11459	7.0
457.11053	5.0
475.12390	28.9
485.67368	0.9
499.12442	14.0
511.12411	1.3
529.13416	22.8
541.13672	7.3
547.10712	1.0
559.14636	14.3
571.10657	1.0
577.15594	40.6
578.16284	1.9
589.11560	2.0
595.16571	30.5
596.16522	1.2
613.12366	1.5
631.13586	1.2
643.13208	1.0
655.12128	1.0
673.14264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91595	2.5
57.03434	4.1
61.02905	3.1
70.06593	4.7
71.07906	4.2
73.02917	2.3
81.03420	3.7
85.02915	17.9
93.03442	3.8
95.17559	2.3
103.03946	3.8
104.35181	2.5
106.98503	2.2
109.02840	3.1
119.04935	8.0
121.02882	42.6
139.03891	2.4
144.08049	4.2
145.02847	7.5
150.05476	2.5
150.91325	2.5
159.04399	2.4
163.03905	5.6
169.34587	2.6
173.02364	3.3
177.01877	2.8
179.03424	5.9
184.49434	2.4
187.03883	2.5
189.01857	14.9
190.02563	3.4
191.03397	9.8
195.02779	2.8
201.05447	3.5
203.03403	10.2
207.02847	6.5
211.03989	2.8
215.03511	3.2
217.04979	4.2
219.02882	8.1
227.03525	3.7
229.04919	8.5
233.04419	3.5
247.06029	3.0
255.02734	4.3
257.04514	6.7
267.06320	3.4
268.07626	3.2
271.06076	3.1
279.06549	8.7
281.08093	6.4
283.05984	9.0
284.06586	5.6
291.06308	3.9
294.05255	38.3
295.06027	50.4
296.06720	7.5
297.07376	12.1
307.06030	73.6
307.09583	4.3
308.06805	24.3
309.04395	3.8
309.07562	22.1
313.07269	11.7
317.08154	5.2
319.06021	14.0
320.06912	6.1
321.07608	38.7
322.05093	3.3
322.08331	18.2
323.09174	9.1
325.03488	4.6
325.07095	59.4
329.08188	3.7
332.06766	4.4
333.07602	9.1
335.05542	3.9
335.08932	12.8
336.06265	5.3
337.07101	100.0
337.10770	5.2
339.08612	4.3
345.07712	4.2
346.08286	7.3
347.09189	19.6
349.07074	32.4
350.08096	3.6
351.04990	4.2
351.08713	29.4
353.06607	6.0
355.08200	36.1
357.07465	3.9
361.06866	16.0
361.10806	3.1
363.08630	8.9
365.06696	3.0
365.10300	24.6
367.07938	6.4
371.08902	2.9
373.07031	8.5
375.08704	37.3
377.10193	3.6
379.08160	81.2
382.05261	2.7
385.07001	10.3
389.10004	4.2
391.03741	3.7
391.08188	31.9
393.09921	4.6
403.08170	43.3
403.13248	2.3
409.09164	7.4
417.09583	3.6
421.09210	53.8
427.09921	5.5
433.10083	4.5
439.10220	11.8
441.09720	3.1
445.09488	12.5
457.11313	36.7
458.11591	3.3
463.10162	5.5
475.12308	22.3
481.11310	33.8
487.09610	3.9
499.12463	14.4
505.11169	9.5
523.12463	35.4
541.13513	2.7
553.09711	8.0
571.10907	56.6
578.01935	2.7
589.11920	85.2
607.12042	5.3
637.11517	2.7
655.12677	6.9
673.13898	34.2
691.15021	13.7
709.16327	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	727.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21494	3.3
70.06575	6.7
71.49468	5.1
73.02911	6.4
73.79663	3.2
85.02908	14.5
87.65059	3.6
97.02895	4.6
100.54066	4.1
103.03938	5.2
106.42272	3.3
119.04975	8.3
121.02889	39.7
123.04434	4.9
127.04001	4.4
127.59087	3.6
144.08105	5.3
145.02832	9.0
163.03871	6.1
165.01874	4.5
176.01027	3.8
189.01862	14.6
191.03423	6.1
195.02840	8.0
201.05478	5.8
203.03397	10.0
205.04932	5.6
207.02840	8.4
215.03436	5.2
219.02859	10.3
227.03574	4.1
243.81209	3.8
245.04697	3.8
267.06555	7.8
267.72678	3.8
268.07297	5.0
271.05991	8.4
279.06653	7.8
281.08066	9.6
283.05969	40.0
284.06863	11.2
285.03848	5.0
293.08084	4.4
294.05237	36.9
295.06030	75.3
296.06662	7.0
297.07590	13.0
307.06061	67.0
307.09262	2.9
308.06573	22.1
309.07523	25.7
313.07047	55.2
319.05966	10.0
320.06613	5.7
321.07703	29.9
322.08426	11.6
323.05472	6.8
323.09018	10.0
325.07092	100.0
333.07504	13.6
335.05609	6.0
335.09158	21.1
336.10135	4.1
337.07056	96.6
345.07248	5.4
346.13593	3.7
347.09012	13.3
349.07095	31.4
351.08554	28.3
355.08054	40.7
361.07321	18.8
363.08810	6.3
365.10233	11.8
367.08261	10.6
373.07016	8.2
375.08716	10.1
379.08133	66.7
391.08145	36.0
397.09406	5.7
403.08014	29.4
409.09152	38.6
415.10339	5.6
421.09222	28.6
433.11456	5.6
439.10211	36.0
445.10095	3.9
457.11356	76.9
471.58295	4.0
475.12167	9.7
541.09753	11.3
559.10693	40.8
571.10529	14.2
577.14923	7.7
589.12073	29.6
595.16632	13.0
607.12384	13.3
613.12024	24.2
631.12946	11.9
637.11969	6.1
643.12341	14.1
655.12970	17.9
673.13678	16.5
691.14575	13.2
691.27002	4.8
709.16211	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	727.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.5
61.02920	3.2
65.03947	4.0
69.03436	4.8
70.06593	10.2
71.49354	4.3
71.49707	3.8
73.69779	3.1
81.03424	3.9
84.08153	4.6
85.02911	26.1
105.03423	3.1
109.02876	3.8
119.04930	7.3
121.02873	46.0
122.18864	3.3
129.10249	3.9
132.67450	3.9
139.03909	5.2
144.08020	5.0
145.02832	8.5
150.05530	5.2
151.03897	4.0
153.25348	3.5
165.01848	4.1
178.36540	3.3
189.01828	12.6
191.03439	6.6
195.02986	4.5
199.03893	3.4
201.05498	4.3
203.03479	6.5
205.04977	5.9
207.02911	10.4
215.03531	4.3
217.04964	6.7
219.02908	6.8
229.05008	11.5
233.04555	6.3
255.02815	3.7
257.04504	4.9
269.04611	4.3
279.06348	7.1
280.07269	3.9
281.08041	10.5
283.05954	10.7
285.03882	4.6
293.08105	8.9
294.05283	36.3
295.06039	50.1
296.06799	7.1
297.07666	10.2
298.07962	3.9
307.06021	63.1
308.06778	28.6
309.04410	4.1
309.07614	18.3
313.07089	15.0
319.05930	16.2
321.07605	34.0
322.08466	16.7
323.09125	8.7
325.07043	70.9
330.78622	3.9
333.07574	13.3
334.08377	4.2
335.09009	17.9
336.06274	5.5
337.07053	100.0
337.10492	3.5
345.07443	8.1
347.09219	24.4
349.06989	25.8
350.08133	4.4
351.08682	31.4
355.08139	41.5
357.07663	5.6
361.06970	14.0
363.08658	7.6
365.10352	23.3
367.08191	7.0
373.07016	6.6
374.08133	6.1
375.08557	34.8
379.08179	80.2
385.07562	8.3
389.10516	6.0
391.08096	27.7
393.09644	6.3
399.08414	4.9
403.07999	40.6
409.09335	10.2
417.09726	5.0
421.09143	52.8
427.09827	4.8
431.10983	3.8
439.10239	16.3
445.09253	10.0
457.11386	33.8
463.10254	6.4
475.12653	21.2
481.11221	33.7
487.09512	4.9
499.12512	21.6
505.11380	11.4
523.12561	39.8
541.11536	3.7
553.09619	11.5
571.10950	62.7
589.03076	6.7
589.11890	86.8
590.12769	3.6
607.12988	10.0
652.95056	4.0
655.12701	7.5
673.13800	42.6
691.14551	14.3
709.15479	6.8
754.54962	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.05054	0.7
57.07064	0.3
58.06612	0.5
59.07417	0.1
60.08163	6.0
67.05495	0.8
69.07060	0.2
69.82267	0.4
69.82702	0.4
71.07370	3.7
76.80896	0.1
77.69226	0.1
79.05484	0.5
81.07065	1.1
83.08601	0.1
86.09703	32.2
87.10027	0.2
91.05479	0.4
93.07037	0.6
95.08593	0.5
98.98463	3.3
99.83461	0.1
104.10748	2.6
105.07037	0.3
107.08577	0.5
109.10150	0.2
116.89027	0.1
117.07027	0.1
121.10143	0.2
125.00002	20.8
131.08577	0.1
135.11697	0.3
147.11664	0.2
175.37471	0.1
184.07335	100.0
185.07722	0.7
195.13840	0.2
205.42433	0.1
214.15269	0.1
255.23195	0.4
269.17484	0.5
289.62247	0.2
335.25870	0.5
402.37851	0.1
464.23236	0.2
529.39020	0.5
726.46625	5.3
727.47363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01872	2.1
55.05509	13.6
57.03439	12.8
57.07063	1.7
60.08150	1.1
61.02914	3.3
65.03922	1.4
67.05507	64.2
69.07067	18.8
69.81609	6.5
71.04987	2.8
74.07181	1.0
74.80668	1.1
78.46809	1.2
79.05495	42.0
81.03402	1.9
81.07058	72.4
83.04971	4.9
83.08623	11.0
85.02899	1.3
85.06538	2.2
86.09711	2.7
91.04917	1.3
91.05476	18.9
93.07047	55.6
95.04955	3.9
95.08610	30.2
97.02904	1.0
97.06521	8.7
97.10152	1.7
99.08097	2.3
105.04514	1.8
105.06534	1.1
105.07043	11.0
107.08592	28.3
109.06509	1.5
109.10178	9.6
111.08082	4.6
117.07040	7.3
119.08608	7.0
121.10139	19.5
123.11688	3.0
125.09630	1.4
131.08566	11.7
133.10150	9.3
135.08023	1.2
135.11674	9.6
145.10178	2.7
145.22153	1.0
147.11679	4.1
149.13274	21.6
151.85780	1.1
159.11691	8.3
161.13274	2.8
163.14812	2.6
167.20195	1.0
173.13286	3.0
177.12732	3.0
180.28537	1.0
184.07338	6.9
187.14810	1.9
195.13797	7.2
213.14720	1.2
215.70079	1.1
217.92918	1.1
223.51247	1.1
243.21242	2.5
261.22128	11.9
267.15964	2.2
269.17480	83.9
270.17819	1.3
317.24823	2.7
335.25812	53.5
336.26245	1.8
369.00494	1.1
399.18164	1.2
437.34366	1.6
499.10880	1.2
511.38452	1.8
529.38904	100.0
530.39178	5.2
547.39459	1.4
558.98199	1.2
726.44659	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	726.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19524	0.3
55.05527	0.3
56.05030	0.8
56.38437	0.2
56.85523	0.2
57.02149	0.3
58.06587	0.3
60.08164	6.2
67.05491	1.4
69.07066	0.5
69.92373	0.5
69.92768	0.5
70.06590	0.4
71.07380	3.8
79.05494	0.6
81.03435	0.4
81.07055	1.1
86.09707	31.3
91.05472	1.1
93.07043	0.9
95.08615	0.9
98.98464	3.7
104.10741	2.4
105.07063	0.7
105.73038	0.3
107.08596	0.7
109.10144	0.3
109.81991	0.2
119.08576	0.4
121.10150	0.6
124.93476	0.2
125.00005	20.7
133.10109	0.7
135.11693	0.5
147.11690	0.4
161.09563	0.3
184.07341	100.0
185.07652	0.5
391.88626	0.3
461.44913	0.3
528.37390	0.4
529.35236	0.6
548.04285	0.3
579.26996	0.3
726.43481	4.9
727.43109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55147	0.2
55.05518	0.3
56.05044	0.7
56.98293	0.2
57.03440	0.3
58.06626	0.4
59.07407	0.3
60.08167	6.1
66.75343	0.2
67.05507	0.8
69.07100	0.2
69.22937	0.2
71.07371	3.6
71.49339	0.2
71.49749	0.3
75.72526	0.2
79.05485	0.8
81.03417	0.4
81.07058	0.8
82.81717	0.2
83.04969	0.2
86.09708	31.6
91.05478	0.6
93.07050	0.7
95.04932	0.2
95.08604	0.6
98.98463	3.6
104.10742	2.2
105.07053	0.6
107.04922	0.2
107.08601	0.7
109.10194	0.4
113.68617	0.2
117.06946	0.2
119.08599	0.7
121.10139	0.5
125.00007	20.9
126.00227	0.2
131.08501	0.3
133.10124	0.5
135.11749	0.3
145.10078	0.3
163.11200	0.4
178.43153	0.2
184.07343	100.0
185.07671	0.7
233.19882	0.2
253.14240	0.2
395.54214	0.2
432.71011	0.2
451.90073	0.2
529.35016	0.4
546.38696	0.3
726.43182	4.2
739.48492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01859	2.2
55.05514	5.3
57.03450	4.4
59.04998	1.3
61.02916	1.0
65.03931	0.9
67.05504	32.0
69.03421	1.9
69.07064	3.7
69.34503	2.0
69.34935	2.7
71.04996	12.4
73.02917	0.6
78.65223	0.5
79.05492	11.3
81.03419	21.3
81.07060	13.3
82.07375	0.8
83.04992	3.7
83.08619	7.1
85.02901	2.0
85.06522	1.5
86.09673	0.9
91.05477	14.3
93.06487	0.8
93.07043	10.5
95.04971	12.9
95.08613	7.4
97.02888	1.4
97.06524	2.2
97.10152	5.4
98.21487	1.2
99.04500	1.0
103.05461	0.7
105.07023	7.5
106.07400	0.8
107.04966	6.8
107.08589	7.3
109.06522	7.5
109.10158	18.7
111.04421	1.0
111.08088	2.4
115.05434	0.7
117.07046	4.7
119.04939	1.0
119.08578	9.8
121.06511	6.8
121.10139	5.2
123.08035	2.5
123.11675	0.8
125.09631	3.2
129.06964	4.2
131.04904	0.6
131.08580	6.1
133.06500	2.7
133.10106	3.7
135.08063	3.4
135.11682	4.0
136.06181	1.7
137.09613	4.4
139.11102	0.8
142.07771	0.9
143.08551	1.8
143.96944	0.7
145.06502	2.3
145.10138	4.3
147.08054	1.7
147.11690	3.1
149.09605	2.2
151.11203	1.1
155.10643	0.9
157.06534	1.0
157.10159	4.3
159.11755	1.5
161.09621	1.3
163.11154	3.6
165.12837	1.0
167.10623	0.9
169.10107	1.0
171.11688	1.1
173.11786	1.8
173.13206	1.5
175.11192	2.9
177.12711	0.9
181.12321	0.7
183.11710	1.2
184.07312	1.4
185.09581	0.7
185.13293	1.5
187.11253	1.0
187.13268	0.8
189.09160	1.0
189.11215	1.7
191.14302	1.9
193.12259	5.0
193.30220	0.6
199.11086	0.6
201.12720	1.2
203.10649	0.9
203.14328	1.0
205.12303	1.4
211.13313	0.9
213.12740	0.7
217.12328	1.0
219.13800	4.2
223.13268	0.9
227.12650	0.9
231.13820	1.1
243.15929	1.2
249.14900	1.6
255.16055	1.1
261.18491	0.9
267.15912	9.4
268.16226	1.6
275.16534	0.9
285.16937	1.2
285.98752	0.7
286.17334	0.7
287.18579	3.6
293.17673	0.7
311.20053	1.2
329.21060	4.3
337.21677	1.3
355.22717	2.2
357.24210	1.2
373.24207	0.6
403.24997	3.9
411.25592	1.0
421.25864	14.0
426.26489	1.1
429.26468	8.8
447.27420	100.0
448.27890	2.5
461.29004	2.8
472.26944	0.7
477.28662	1.0
479.29892	6.1
510.06610	0.8
546.30792	1.8
547.29651	0.8
564.31549	7.6
605.33136	0.9
726.35083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.3
53.03954	1.6
55.01877	1.2
55.05519	2.1
65.03938	3.2
67.05511	9.4
69.03429	8.9
69.74916	6.4
70.06601	1.2
71.01361	1.7
83.04983	16.6
85.02898	5.6
87.00831	0.9
89.03938	7.5
91.05598	1.0
93.03417	5.9
95.04967	18.9
97.02933	0.9
99.00821	23.7
107.04963	3.4
107.57310	0.9
111.04451	28.6
111.05225	1.4
114.98584	0.9
117.01862	3.9
117.03387	6.9
121.02882	3.2
123.04438	7.7
129.05487	13.6
135.04419	18.2
139.03920	10.8
145.02863	12.4
147.04539	1.3
147.06544	2.6
153.06990	1.5
157.05032	7.6
158.67696	1.0
159.04352	1.2
161.05908	1.3
163.03912	100.0
164.04240	1.2
175.06013	2.5
181.06509	1.4
195.08034	1.4
199.07620	1.5
203.03470	2.7
205.06483	6.7
209.04478	1.5
223.07527	5.0
226.88815	1.0
227.05544	3.7
233.06023	4.4
235.07529	1.0
245.06358	1.3
251.07065	12.2
261.05460	4.2
269.08099	8.5
273.06076	49.2
279.06558	23.5
280.06830	1.2
281.87216	1.1
283.06046	2.5
297.07565	15.0
301.39587	1.0
307.06024	8.2
321.25992	1.4
325.07047	16.7
337.09241	6.6
343.08090	2.7
355.10083	1.8
377.08521	1.4
429.10587	1.4
447.11356	17.3
499.12402	20.7
500.12704	1.5
517.13367	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	726.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	2.2
55.05509	3.8
60.57817	0.6
65.03938	5.5
67.05508	16.5
68.99782	1.7
69.03430	13.1
69.40470	5.5
70.06574	0.9
71.01348	2.5
77.03938	1.0
81.03417	0.8
81.35252	0.9
83.04986	34.8
85.02907	9.4
87.00851	1.9
88.36453	0.7
89.03918	2.1
90.46354	0.7
93.03416	15.6
95.04972	27.2
97.02889	2.3
98.21495	1.2
99.00820	21.0
101.02371	1.0
101.06036	1.0
107.04959	2.1
111.04447	52.3
112.04773	0.7
115.03953	1.6
117.01846	4.4
117.03384	2.2
121.02866	8.7
123.04430	7.6
128.19247	0.8
129.05486	18.8
135.04407	9.4
137.02306	1.6
139.03906	23.4
144.08093	1.0
145.02879	5.0
147.04439	1.2
147.06529	2.5
153.06946	1.0
157.04970	17.5
161.05937	1.0
163.03909	39.7
164.04250	0.7
165.01907	0.8
175.03922	1.2
175.06027	5.4
177.07071	1.1
180.85811	0.7
181.06413	1.6
191.03418	1.0
195.08102	1.6
199.07558	1.3
203.03360	2.1
205.06500	5.2
209.04471	2.0
223.07535	7.0
227.05276	3.7
227.07448	1.1
233.06010	6.1
237.05504	1.0
244.07323	0.9
245.08342	1.9
251.07077	14.0
255.06786	1.3
255.16966	0.8
261.05441	3.6
269.08093	8.9
273.06055	17.7
273.08850	1.3
279.06555	22.7
280.07147	0.9
283.06027	4.4
289.04929	1.4
295.06100	1.5
297.07574	16.2
307.06021	9.2
313.07120	2.8
325.07062	14.1
325.10593	1.3
337.06967	1.6
343.08176	1.8
372.69742	0.8
379.08224	0.8
401.10748	2.5
429.10312	6.6
447.11371	100.0
448.11819	3.6
475.12656	1.4
499.12384	9.8
517.13257	1.5
571.11505	0.8
595.16125	1.2
726.19324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05507	1.5
57.03441	1.2
58.93963	0.3
59.05008	0.8
61.02930	3.4
67.05506	3.1
69.03439	2.6
69.07058	0.9
70.06590	0.8
71.05000	1.3
71.22742	1.1
73.02940	2.2
74.81781	0.4
79.05501	4.3
81.03419	4.0
81.07062	4.5
83.04992	0.7
83.08620	0.8
85.02889	3.0
85.06536	0.5
86.09725	0.6
87.04443	0.6
91.03947	2.0
91.05483	3.5
93.07061	3.7
95.04971	1.8
95.08598	1.9
97.02896	2.9
97.06517	0.6
97.10199	0.6
99.04423	0.7
101.02387	1.3
103.49482	0.4
105.07030	2.4
107.08604	1.7
109.02857	0.4
109.06551	1.0
109.10161	0.8
116.63242	0.4
116.74086	0.4
117.07025	0.8
119.08598	2.0
121.10172	1.4
123.08103	0.5
127.03925	1.5
129.07024	1.7
131.08568	0.9
133.10135	1.6
139.78740	0.4
145.10016	0.5
147.11694	2.2
149.09651	1.4
157.10085	0.9
163.11351	0.4
164.91292	0.4
171.11711	0.9
175.11232	0.9
189.12691	0.5
193.12325	1.1
197.15350	0.4
211.13351	0.5
225.14798	0.5
243.08472	2.0
267.15866	0.9
283.15131	3.2
339.17838	0.6
346.36343	0.5
465.20987	8.1
469.20541	0.5
501.23056	8.5
563.32068	1.1
662.39819	0.5
725.37213	100.0
726.37396	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	724.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
56.05033	0.7
57.03440	0.3
57.07078	0.5
58.06611	0.4
60.08163	5.5
67.05506	1.1
69.03436	0.3
69.07066	0.3
71.07376	3.1
71.08636	0.2
71.49868	0.4
79.05509	0.8
81.03447	0.3
81.07053	0.9
83.08620	0.2
86.09708	28.2
87.10038	0.3
91.05479	0.6
93.07027	1.0
93.13352	0.2
95.04993	0.3
95.08597	0.7
97.02890	0.2
98.98473	3.2
104.10740	2.3
105.07034	0.7
107.08616	0.6
109.10182	0.5
119.08571	0.6
121.10149	0.6
125.00006	20.3
129.06990	0.2
131.08568	0.5
133.10138	0.7
135.11691	0.3
141.81953	0.2
147.08022	0.2
147.11670	0.4
184.07341	100.0
185.07623	0.9
210.12201	0.2
224.65381	0.2
267.15829	0.3
274.02127	0.2
335.25781	0.3
476.12717	0.2
527.37067	0.5
545.37909	0.6
688.34454	0.4
688.45532	5.8
689.44904	0.4
724.42053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53861	1.4
53.03955	7.3
55.01875	2.8
55.05513	18.8
57.03442	19.8
57.07073	3.1
59.05011	2.6
61.02916	4.2
65.03941	3.2
67.05505	64.1
69.03426	3.5
69.07069	12.1
71.05006	2.4
73.02915	2.3
77.82925	1.4
79.05025	2.3
79.05489	43.2
81.03419	88.5
81.07056	64.1
83.04990	5.8
83.08619	21.6
85.02883	6.4
85.06573	2.0
91.03944	1.8
91.05482	35.9
93.07047	44.5
95.04967	26.6
95.08607	43.9
97.02889	7.4
97.06521	3.9
97.10168	6.8
105.07037	28.2
107.04966	7.5
107.08588	24.8
109.06510	4.8
109.10156	20.1
111.04446	2.9
111.08092	8.3
115.05455	1.8
117.07011	9.5
119.08578	22.3
121.06494	3.6
121.10149	20.8
123.04413	2.1
123.08058	4.7
123.11707	7.1
125.09637	3.7
129.07008	8.7
131.08562	15.0
133.06465	3.4
133.10109	13.4
135.08057	1.7
135.11708	10.5
137.09641	2.1
137.13203	2.2
142.07771	3.0
143.08577	2.3
145.10143	7.9
147.08020	3.7
147.11670	12.1
149.09622	5.5
149.13258	5.8
157.10126	9.8
159.11705	6.0
161.13290	5.1
163.11227	2.3
163.14824	3.6
165.12743	2.8
171.11555	1.8
173.09814	1.5
173.13293	5.3
175.11177	10.3
175.14790	2.8
177.12817	1.3
184.07307	1.5
185.13264	2.0
187.14804	2.7
189.11244	3.2
193.10495	1.8
193.12239	25.4
210.24980	1.3
227.12793	3.5
228.97482	1.7
235.13315	1.9
243.21082	5.8
249.14894	3.4
251.43021	1.4
259.13226	2.5
261.22131	19.1
267.15909	95.3
268.16238	2.6
277.14261	1.5
301.14343	1.4
301.25339	7.0
309.17001	4.1
317.24713	4.3
335.25790	100.0
336.26151	2.8
435.27408	1.6
435.32779	3.3
453.33746	7.0
471.34753	3.5
527.37341	42.6
528.37286	2.2
544.40729	1.9
545.38263	18.8
564.82129	1.6
569.37976	3.8
583.47351	1.5
635.39771	1.7
711.91150	1.4
724.45227	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	724.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01860	1.5
55.05511	11.4
57.03442	4.9
57.03669	0.8
57.07066	2.4
59.04996	1.6
61.02907	3.4
65.03928	2.2
67.05505	57.6
68.05830	1.1
69.03414	3.5
69.07075	8.7
70.06592	1.9
71.04994	48.5
71.08604	1.3
73.02930	1.2
79.05075	1.4
79.05494	21.4
81.03403	1.9
81.07059	100.0
82.07378	1.7
83.04977	7.3
83.08617	9.7
85.02888	3.4
85.06545	11.6
86.09731	1.8
91.05482	39.3
93.07046	26.2
93.07633	1.4
94.07371	0.9
95.04982	3.8
95.08615	12.2
96.08157	0.8
97.02882	2.1
97.06527	8.4
97.10175	1.9
99.08080	2.1
101.06076	0.8
103.05418	0.8
105.07033	19.8
106.07357	1.0
107.04937	1.4
107.08595	18.5
108.08919	2.2
109.06499	3.2
109.10162	11.0
111.08073	3.1
117.07014	5.3
119.08578	8.2
121.06504	1.0
121.10144	9.0
123.08044	1.1
123.10822	1.5
123.11711	22.6
128.06256	1.9
129.07022	1.3
131.08600	8.6
132.08844	1.0
133.10132	28.9
134.10434	1.6
134.81245	0.7
135.08044	1.7
135.11700	7.6
136.11984	1.3
139.11107	0.9
142.07726	1.1
143.08537	3.0
145.10135	3.0
146.10463	1.3
147.08012	1.3
147.11659	1.9
148.12024	0.9
149.13271	10.1
151.11197	13.7
155.08553	2.4
157.10117	3.1
158.10577	1.2
159.11702	9.0
161.13249	0.9
169.10129	1.6
169.12306	2.0
171.11644	1.3
172.12054	1.2
173.13228	2.5
175.14807	2.2
177.12735	3.6
179.08539	0.9
182.10628	0.9
183.13814	9.4
184.07356	2.9
184.12102	1.0
185.13185	1.2
187.13258	4.3
187.14746	1.0
195.11574	1.4
195.13835	3.2
196.12349	0.8
199.64680	0.8
201.14856	1.9
207.11755	1.0
209.13068	1.3
210.13673	0.9
211.14742	1.2
219.11679	0.9
221.13167	1.4
222.13652	1.2
224.40475	0.9
225.14832	2.2
230.10532	0.9
237.16336	1.0
257.17477	2.8
262.16980	0.9
263.17697	0.9
269.17514	5.5
283.19217	0.8
285.16864	1.3
301.20099	19.6
333.96652	0.8
419.27716	1.2
425.29095	7.7
437.28815	4.1
445.29468	0.9
451.30435	9.3
463.30380	6.9
469.31631	75.2
470.32083	2.8
483.33215	12.0
495.33173	48.0
496.33328	1.9
527.35828	58.6
528.36041	2.8
613.35468	1.1
639.37067	1.7
706.40546	1.2
724.42548	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	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01866	3.3
55.05510	14.3
57.03436	15.0
58.85177	1.1
59.05025	1.5
60.36828	1.2
67.05140	1.3
67.05503	23.9
69.03417	3.7
69.07066	7.2
70.62008	3.0
71.04994	4.0
77.03911	1.0
79.05490	24.7
81.03417	97.7
81.07056	24.1
83.04979	12.5
83.08619	27.5
85.02902	10.8
85.06564	1.7
91.05479	29.9
91.06023	2.0
93.07046	18.8
93.32348	1.2
95.04967	32.1
95.08585	9.5
97.02912	4.1
97.06532	4.3
97.10159	9.1
99.08101	1.4
105.07036	22.0
107.04958	9.2
107.08607	8.4
108.90327	1.0
109.06486	5.3
109.10148	5.9
111.04424	2.6
111.08087	10.2
113.05941	1.2
117.07025	3.4
118.04977	1.1
119.04990	1.1
119.08595	20.2
121.06485	5.5
121.10146	8.3
123.04424	1.9
123.08087	3.3
123.11698	1.3
125.09651	4.7
129.07007	11.8
131.08575	18.5
133.06454	5.3
133.10123	12.0
135.08049	1.6
135.11729	2.2
137.09613	2.5
142.07773	3.8
143.08563	1.8
145.06499	6.2
145.10133	4.2
147.08025	5.4
147.11681	14.4
149.09633	7.8
155.08606	2.0
157.06569	1.2
157.10127	16.5
158.62900	1.5
159.08054	2.1
159.11678	2.2
161.09628	2.1
163.11192	1.9
165.12764	3.7
171.07999	1.4
171.11627	1.9
175.11174	14.4
183.11690	1.1
189.11145	2.1
193.12248	35.8
195.11687	1.6
197.13229	1.4
211.13310	17.7
227.12563	2.0
229.14354	1.6
247.41383	1.1
249.14687	2.3
255.13704	1.9
267.15918	100.0
268.16333	2.9
273.14926	4.2
285.16974	18.2
285.19955	2.0
339.23389	1.3
349.21448	2.8
357.24237	1.1
359.21539	1.1
367.22708	11.2
385.23703	13.9
403.24796	3.4
405.24258	1.2
433.25839	11.9
441.26260	6.5
459.27411	80.5
460.27847	3.0
477.28485	50.7
478.28946	1.8
519.29822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01862	3.7
55.05513	11.6
57.03202	0.9
57.03439	11.5
61.02914	1.0
65.03941	1.7
67.05185	1.5
67.05508	19.8
69.03416	4.0
69.07063	4.8
69.84817	4.9
71.04980	3.9
77.70457	0.9
79.05497	21.0
81.03418	81.5
81.06602	1.5
81.07059	21.9
81.10014	1.0
82.03741	1.0
83.04987	10.1
83.08622	23.4
84.08943	0.9
85.02910	11.8
85.06525	1.8
86.09685	3.6
91.04903	1.5
91.05478	26.8
93.07047	14.8
95.04969	26.0
95.08604	9.0
97.02894	3.5
97.06503	3.0
97.10162	7.5
105.07028	17.2
107.04963	8.6
107.08587	9.0
109.06512	4.3
109.10144	4.1
111.04424	2.3
111.08075	9.2
113.05965	1.6
115.05450	1.5
117.07027	4.2
119.04837	1.4
119.08591	17.2
121.06514	5.0
121.10146	8.8
123.04398	1.6
123.08038	3.2
123.11739	0.9
124.99925	1.7
125.09623	6.2
128.06204	1.0
129.07016	9.7
131.08585	10.8
133.06474	3.7
133.10120	9.3
135.08028	2.2
135.11687	3.5
136.12056	1.1
137.05978	1.4
137.09605	1.8
142.07788	2.8
143.08473	1.7
145.06508	3.0
145.10104	3.0
147.04393	0.9
147.08029	5.1
147.11697	9.2
149.09657	6.8
153.09004	1.2
157.06479	1.1
157.10129	13.3
161.09659	1.4
162.07304	1.0
163.11235	3.8
165.12785	2.2
171.08179	1.0
171.11719	1.0
173.09521	1.1
175.11172	14.2
181.12228	1.1
184.07353	10.0
185.13297	1.4
186.50093	1.1
189.11223	2.8
193.12241	31.9
194.12572	1.2
199.11220	1.0
211.13301	21.4
215.14355	1.3
227.12781	1.9
228.13049	1.5
233.15341	2.5
249.14780	1.3
267.15915	49.1
268.16229	4.3
273.14862	2.1
283.15335	3.3
284.15836	2.1
285.16956	18.3
294.50821	1.1
299.14771	1.0
349.21594	1.3
366.68347	1.0
367.22635	8.4
385.23718	12.1
403.24814	5.2
441.25943	4.6
445.25702	1.3
459.27411	61.0
475.27054	1.8
476.27280	1.1
477.28455	100.0
478.28671	2.8
495.28958	1.2
509.25278	1.8
616.97418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.6
53.03931	5.6
55.01862	8.0
55.05508	19.8
57.03447	15.2
59.04993	3.5
60.04530	9.1
65.03938	2.4
67.05508	28.1
69.03409	6.2
69.07063	7.4
70.06590	13.0
71.04981	3.8
71.50120	2.6
72.08152	4.1
79.05499	26.2
79.11461	1.6
81.03419	88.5
81.06660	2.4
81.07066	26.2
82.37942	2.2
83.04980	8.9
83.08625	23.2
84.04494	2.0
84.08147	4.4
85.02879	6.4
85.06528	2.3
86.09703	13.5
91.05483	41.9
92.05777	2.2
93.07043	24.6
95.04971	29.0
95.08629	11.8
97.02908	10.8
97.06504	4.2
97.10163	8.0
99.00813	16.3
99.08103	2.5
99.99390	1.9
103.05435	2.9
105.07040	28.2
107.04955	13.5
107.08601	14.6
109.02893	21.4
109.06539	8.8
109.10157	10.6
110.07133	2.1
111.04404	4.7
111.08060	11.8
115.03937	3.4
117.07021	6.1
118.62582	1.5
119.04923	4.6
119.08595	27.1
120.08104	4.5
121.06517	12.4
121.10175	8.9
123.04395	5.9
123.08072	3.1
123.11752	2.3
124.59814	2.2
125.09615	7.6
127.03897	6.5
128.06248	3.7
129.07004	9.8
129.10245	3.5
131.08568	13.2
133.06477	5.7
133.10130	47.8
135.08058	5.4
135.11646	2.3
136.07559	2.7
137.06017	10.0
137.09610	3.4
138.06287	1.9
139.07539	2.2
142.07748	2.8
143.08568	7.8
145.02866	1.9
145.06503	1.9
145.10115	4.7
147.04439	3.3
147.08025	5.5
147.11705	8.7
149.09593	6.9
151.11180	12.4
157.10158	10.5
159.11606	1.8
161.09605	24.6
163.11142	3.9
165.09036	3.2
171.08046	7.1
175.03865	4.0
175.11177	10.6
177.05396	2.5
179.10686	13.0
184.07332	8.9
189.09093	12.7
189.11240	4.9
193.12256	23.7
197.11687	2.4
207.06471	6.0
207.10110	4.3
211.13429	2.9
219.13792	12.7
225.11217	12.5
227.12758	4.7
228.00883	1.9
243.12149	2.7
259.15253	2.0
263.12976	2.0
267.15942	100.0
268.16312	3.1
281.13879	5.8
283.15320	2.5
285.17001	3.4
299.14893	79.5
332.27957	4.3
367.22733	2.6
381.20267	2.8
385.23798	3.6
399.21661	2.6
417.22440	2.7
445.25732	12.4
459.27478	16.7
463.26938	6.5
473.25317	25.2
475.13019	2.2
477.28665	12.4
491.26413	89.3
492.26572	5.1
509.27258	8.5
533.26752	2.5
724.37616	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	723.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01883	3.5
55.05512	25.7
57.03439	8.4
57.07081	3.1
58.82095	1.7
59.04999	2.4
60.61402	1.6
60.81404	1.9
64.58875	2.5
65.03943	3.9
66.20092	2.1
67.05508	73.2
69.03428	9.9
69.07070	17.0
69.31834	14.7
71.04997	21.5
71.08619	2.1
78.13679	1.8
79.05498	46.2
81.03419	25.4
81.07058	100.0
82.38042	2.2
83.04984	20.6
83.08623	6.0
84.91447	1.8
85.02930	3.7
85.06541	7.5
91.05482	38.6
93.07043	49.0
95.04965	7.6
95.08611	31.3
97.02900	4.1
97.06521	5.3
97.10123	3.2
98.21477	3.7
99.04479	2.2
102.34077	2.0
105.04501	2.3
105.07033	23.9
107.04964	3.5
107.08591	23.9
109.02891	4.1
109.06535	1.8
109.10156	14.8
111.04444	3.8
117.07019	8.4
119.08578	15.6
121.06577	2.3
121.10117	14.7
123.11684	10.3
125.09679	2.3
129.05518	10.7
129.07014	5.2
131.08592	10.2
133.10155	19.1
135.08174	2.4
135.11673	10.5
137.13220	1.9
143.08580	3.8
145.10130	7.4
147.11703	11.2
149.13264	6.8
151.11203	6.6
157.10101	3.5
159.08115	2.2
159.11665	11.9
171.11667	2.3
173.04478	5.5
173.13272	3.0
177.12738	3.6
184.07365	3.8
187.13286	9.5
187.14795	2.3
193.29703	1.7
195.13742	2.6
199.29716	1.8
201.14893	4.6
225.14937	3.9
243.15947	8.0
248.99640	2.8
252.54018	2.0
257.17639	2.1
259.20767	1.8
261.22144	3.8
269.17639	3.4
291.19357	2.7
335.25836	23.0
339.18185	2.6
369.24350	2.6
387.25320	4.0
445.24512	4.5
503.37360	35.6
505.39160	10.5
511.57025	2.1
517.38660	3.6
529.38660	11.9
543.10077	1.9
543.39868	5.5
548.33563	2.2
552.32758	2.0
561.41516	31.6
649.91534	2.1
655.42505	2.2
673.42712	7.3
691.43262	2.9
705.45428	6.7
723.44403	60.5
724.44757	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	723.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01879	0.4
55.05517	0.7
57.03447	1.7
57.07077	3.5
59.04993	0.4
60.08170	0.6
61.02928	4.1
65.63492	0.3
67.05508	1.4
68.07387	0.4
69.03432	2.2
69.07082	1.1
71.08627	2.1
71.18479	0.4
73.02914	3.0
79.05497	1.3
79.43517	0.3
81.03417	1.2
81.07062	2.1
83.04972	0.4
83.08628	1.5
85.02906	3.6
85.10208	1.1
86.09702	2.7
87.10028	0.6
89.06038	0.4
90.54284	0.4
91.03957	2.1
91.05469	0.7
93.07059	1.8
95.04983	0.4
95.08619	3.8
97.02901	2.9
97.10179	0.6
99.04469	0.9
101.02393	1.5
103.03970	0.4
107.08624	1.2
109.10155	1.1
117.07071	0.4
119.08616	0.6
121.10168	0.7
124.99999	1.7
127.03961	0.6
133.10089	0.6
135.08098	0.4
135.11714	2.6
145.10149	1.5
146.09337	0.4
163.11203	3.8
181.12276	0.6
184.07339	7.7
185.04237	0.5
185.07732	1.3
206.61372	0.4
219.09927	0.9
227.12827	3.3
243.08385	2.6
245.19595	0.3
249.11024	7.7
305.13617	2.1
313.27325	0.6
330.53815	0.4
467.18860	11.0
497.30804	4.5
561.37720	0.7
723.42859	100.0
724.43176	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	723.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.3
54.18361	3.8
55.01864	6.8
55.05515	32.0
57.03428	13.9
57.07058	7.4
58.44996	3.5
61.02946	19.6
63.75852	3.3
65.03934	5.6
67.05505	93.7
69.03421	18.1
69.06792	3.2
69.07071	36.2
69.43071	12.1
69.43494	14.0
70.06568	3.4
71.04992	15.3
73.02907	6.0
79.05488	62.9
81.03420	30.1
81.07053	100.0
82.07401	4.7
83.04988	13.9
83.08612	22.2
85.02908	17.9
85.06546	6.6
91.03938	6.4
91.05483	87.0
93.07051	77.5
95.04984	18.2
95.08616	56.6
97.02898	17.5
97.06516	11.5
97.10182	15.4
103.05482	8.0
105.07030	74.6
106.07374	6.3
107.04967	9.1
107.08604	62.8
109.02905	5.4
109.06524	12.6
109.10164	36.9
111.08094	8.3
115.05405	6.6
117.07012	33.0
119.07804	6.8
119.08585	73.0
121.06510	8.7
121.09329	5.3
121.10146	45.2
122.10488	4.6
123.08069	10.6
123.11706	15.6
125.09639	9.4
127.03949	4.6
128.06226	11.7
129.07008	31.0
130.07777	6.1
131.08574	61.1
133.06461	7.3
133.10144	59.3
135.08023	7.7
135.11696	29.8
137.09612	6.9
139.11217	6.0
141.07042	7.5
142.07828	10.0
143.08583	42.9
144.09340	6.5
145.10121	48.2
147.08113	6.7
147.11705	22.2
149.09641	13.4
149.13246	14.5
150.13599	4.2
151.11177	5.6
154.07784	4.2
154.95087	3.6
155.08571	15.9
156.09346	11.5
157.10146	43.5
158.10739	6.9
159.08054	5.6
159.11693	44.8
161.09599	13.1
161.13251	14.0
163.11174	4.0
165.06976	4.6
167.08563	4.2
168.09315	8.5
169.10152	26.0
170.10898	5.0
171.11696	29.6
173.09552	3.8
173.13287	24.1
175.11253	9.5
175.14862	14.6
179.08553	6.1
180.09315	4.8
181.10147	13.8
182.10843	7.1
183.11691	26.7
184.12349	3.9
185.09641	5.6
185.13289	15.1
187.11160	4.2
187.14795	11.3
193.10234	10.5
193.12209	5.5
194.12608	4.6
195.11705	15.4
197.13243	18.7
199.14856	21.2
201.16435	7.5
205.10060	4.1
207.11775	11.5
209.13297	12.4
211.14810	9.8
220.12582	5.9
221.13272	7.5
223.14864	7.5
231.11629	5.2
233.13266	3.8
237.16432	7.9
251.18065	7.4
263.17801	4.5
267.15903	20.8
268.16275	13.5
269.17365	19.4
270.17764	14.5
283.20398	5.1
285.21841	7.9
326.52313	3.7
376.73325	3.5
413.17285	4.4
433.30930	11.0
436.27853	12.3
451.31934	12.9
461.29102	17.1
462.29453	52.0
469.32312	7.5
480.30750	7.2
494.32004	6.9
495.32990	5.5
525.35742	38.7
527.35797	4.2
543.36914	78.7
544.37244	4.1
561.37897	56.4
705.40790	10.1
723.40607	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.7
55.01873	0.7
55.05515	6.6
57.03439	5.2
57.07078	26.6
59.04962	2.7
59.05240	0.8
61.02895	1.8
64.08040	0.5
65.03899	2.0
65.24411	0.7
67.05508	62.4
69.03407	1.2
69.07067	7.8
69.36464	4.2
69.36877	1.2
71.04996	19.0
71.08633	21.4
73.02882	0.9
79.05501	6.8
81.03373	1.0
81.07059	21.2
83.04939	1.8
83.08620	11.4
85.02864	2.9
85.06506	2.5
85.10191	13.4
86.09679	2.2
86.98371	0.6
91.03943	1.3
91.05485	7.9
93.07037	9.7
95.04946	1.2
95.08607	22.3
97.02869	1.2
97.06494	2.6
97.10184	5.3
99.08036	0.9
99.11729	0.7
105.06989	1.1
107.04920	0.6
107.08608	4.4
107.09171	0.9
109.10161	57.9
110.10444	0.9
111.08036	2.3
111.11713	1.3
117.06985	1.5
118.94858	0.6
119.08582	8.3
121.10089	2.3
123.11708	4.0
125.00015	1.3
125.13226	0.7
131.73444	0.6
133.82060	0.6
135.11696	6.7
137.09631	7.7
137.13235	0.7
145.10100	1.7
155.10703	3.2
163.11148	2.7
169.12183	2.0
172.84314	0.6
173.11763	7.3
181.12213	2.1
184.07346	7.2
187.13354	1.2
191.51730	0.6
239.23669	2.3
243.15936	1.7
246.70712	0.6
255.15930	6.0
287.18527	23.7
313.27362	23.6
327.97513	0.7
431.22873	0.8
467.37350	100.0
468.37708	3.4
481.38800	3.8
493.39075	5.4
522.94183	0.7
525.41528	87.4
526.41998	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	722.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05029	0.8
57.03444	0.4
57.07086	1.1
58.06586	0.4
60.07894	0.4
60.08168	6.0
67.05486	0.8
67.36420	0.2
69.07064	0.3
71.07375	3.2
71.08608	0.6
71.50553	0.4
79.05467	0.6
81.03448	0.3
81.07063	1.4
83.04981	0.3
83.08605	0.5
85.02895	0.3
85.06516	0.2
85.10176	0.5
86.09708	29.2
91.05478	0.4
93.07029	0.6
95.08605	0.8
98.98467	3.3
104.10735	2.3
109.10166	0.6
125.00007	19.3
127.94267	0.2
135.11620	0.3
184.07346	100.0
185.07697	0.6
193.12244	0.3
195.13808	0.3
211.13136	0.2
212.13773	0.2
262.45798	0.2
269.17508	0.3
287.18393	0.4
313.27469	1.1
314.27548	0.5
318.03610	0.2
407.65897	0.2
481.38864	1.4
523.39490	0.3
524.39923	0.5
525.41125	1.5
608.02374	0.2
690.46771	0.6
722.49725	4.6
723.41974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01862	2.2
55.05518	5.5
57.03433	9.0
65.75176	0.8
67.05510	12.1
67.82191	0.8
69.03422	2.1
69.07045	3.6
70.88867	1.6
71.04971	1.5
79.05074	1.3
79.05497	16.3
81.03417	49.3
81.06609	0.8
81.07059	15.1
83.04977	4.6
83.08619	12.9
85.02902	1.0
90.76312	0.8
91.05476	13.1
93.07043	23.3
95.04374	1.4
95.04966	16.3
95.08611	21.7
97.02882	4.6
97.06522	2.7
99.04446	2.4
105.07027	10.4
107.04964	8.2
107.08594	17.5
109.06520	3.2
109.10119	2.6
111.04401	2.1
111.08076	3.5
115.05427	1.5
116.16267	0.7
117.07007	5.4
119.08584	13.0
121.06532	4.7
121.10152	10.9
121.71518	0.7
123.08086	1.9
125.05983	1.1
125.09645	1.1
129.07036	4.9
130.07750	1.2
131.08533	4.4
133.06421	0.9
133.10123	3.7
135.08054	1.8
135.11693	31.6
137.09612	1.3
139.07509	1.7
143.08549	1.4
145.10117	17.4
145.41638	0.7
147.08078	1.7
147.11665	4.9
149.09608	2.9
153.12770	1.0
157.10123	5.9
163.11182	39.6
165.12711	1.4
173.09630	1.3
175.11154	5.7
181.12251	6.7
188.71964	0.8
193.12236	13.7
209.11687	1.4
211.13400	0.9
227.12778	42.1
249.15094	1.5
267.15918	98.3
268.16379	2.8
273.60031	0.8
283.15399	56.4
284.15753	1.5
309.16693	1.0
318.59769	0.9
475.26923	100.0
476.27176	4.8
493.28012	1.2
517.28198	0.9
666.18506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51153	2.4
53.03941	6.6
55.05515	21.2
56.12317	2.0
57.03436	12.7
57.07062	2.1
65.03955	3.0
67.05508	67.3
69.03432	2.6
69.07074	16.7
79.05495	76.2
80.25730	2.0
81.03418	8.1
81.06589	4.5
81.07056	59.6
83.04984	8.9
83.08627	10.7
86.09719	2.6
91.04916	2.5
91.05485	52.3
93.07042	70.3
95.04963	14.4
95.08605	44.8
97.06519	4.1
97.10190	3.7
102.63683	2.2
105.07025	33.9
107.04942	4.9
107.08596	26.1
109.06517	4.5
109.10136	12.9
117.07018	7.2
119.08580	22.4
121.06528	2.4
121.10136	14.9
123.08063	4.5
123.11786	2.9
124.99996	3.4
129.07019	13.6
131.08560	9.5
133.10132	11.8
135.11693	10.1
143.08591	4.6
145.10120	11.3
147.11674	28.2
149.13246	5.0
153.35056	1.9
159.11723	4.3
161.13297	9.3
163.14804	2.7
171.11684	18.7
173.13249	3.1
174.70984	2.1
184.07323	10.5
189.12784	4.8
207.13814	19.2
224.51401	2.0
243.21118	2.9
246.40080	2.2
261.22183	9.0
281.17484	60.4
335.25793	51.1
467.35272	2.2
541.38934	100.0
542.39063	8.0
721.50763	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	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.01843	3.7
55.05510	26.1
57.03431	11.8
59.04972	3.3
65.03951	4.0
65.96893	2.8
67.05505	69.2
69.07072	15.0
69.42672	6.0
69.43076	16.3
71.04998	4.0
79.05496	81.1
81.03414	9.0
81.07059	62.5
83.04990	11.2
83.08627	8.5
85.06553	6.2
86.09730	3.8
91.05482	50.6
93.07048	75.4
95.04968	15.5
95.08611	42.1
95.57265	3.2
97.06532	6.1
97.10211	4.4
105.04549	2.8
105.07043	33.9
107.04958	7.6
107.08604	25.0
109.06512	6.7
109.10155	13.8
117.07060	7.9
119.08567	25.0
121.10133	19.3
123.08086	3.3
129.07011	10.1
131.08539	5.5
133.10132	12.2
135.11705	6.5
143.08546	7.6
145.10153	11.9
147.11691	31.9
159.11736	3.4
161.13254	13.2
163.14786	2.7
165.09303	2.8
171.11665	19.3
173.13284	3.5
184.07364	9.0
187.03407	2.7
189.12762	7.2
190.15778	2.8
207.13794	24.7
238.75752	2.7
261.22275	5.5
281.17484	63.2
317.24780	3.6
320.77182	3.1
335.25778	45.2
494.20047	3.0
520.83948	3.1
541.38940	100.0
542.39111	6.2
596.78882	3.3
721.39465	3.3
721.50861	35.7
745.16162	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	721.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81028	1.5
53.03936	8.6
55.01866	7.8
55.05513	33.1
55.98393	1.7
57.03422	8.2
57.07063	4.0
61.02913	4.4
61.49161	1.9
65.03932	4.0
67.05503	82.1
69.03433	15.1
69.07071	23.7
71.01336	2.7
71.04997	25.2
73.02905	2.3
79.05492	55.0
81.03420	32.8
81.07053	100.0
83.04990	12.8
83.08624	15.3
85.02878	9.6
85.06546	9.0
91.05479	62.6
93.07042	58.7
94.49853	1.7
95.01339	4.2
95.04974	14.8
95.08608	41.7
97.02885	12.1
97.06525	9.5
97.10177	7.0
99.04442	3.5
103.05437	4.2
105.04509	2.2
105.07026	53.2
107.04953	7.6
107.08598	36.6
109.02887	7.2
109.06539	8.7
109.10166	17.7
111.04437	3.4
111.08075	5.7
115.05447	3.2
117.07037	20.1
117.90628	1.6
119.08578	40.1
121.06499	6.8
121.10146	23.9
123.04417	2.6
123.08063	5.5
123.11718	10.6
125.05965	1.7
125.09608	3.6
127.03915	4.4
128.06238	3.2
129.05490	3.6
129.07004	15.7
130.07806	2.6
131.05000	2.5
131.08562	32.3
132.08899	2.0
133.06505	4.3
133.10133	32.3
135.04375	3.7
135.08040	5.1
135.11684	17.6
137.09560	2.8
141.06969	5.4
142.07774	4.9
143.08565	15.4
145.06506	3.1
145.10132	29.3
147.04420	3.2
147.08054	2.7
147.11673	24.6
149.09605	5.7
149.13266	8.7
151.03850	5.3
151.11139	6.0
153.05534	1.8
154.07733	2.5
155.08589	9.0
156.09364	2.3
157.06540	2.4
157.10123	22.0
159.11685	26.1
161.09610	5.0
161.13261	12.6
163.03889	1.9
163.11162	4.4
163.14761	3.2
163.97049	1.8
165.07031	2.1
165.12857	2.3
167.08543	5.6
168.09332	1.8
169.10175	11.2
171.08026	3.5
171.11696	17.3
173.04523	8.4
173.05823	2.3
173.09624	2.0
173.13202	15.5
175.11160	6.5
175.14819	4.1
177.12810	5.0
181.10150	5.4
181.12250	3.0
183.11656	9.3
184.07372	2.8
185.09518	2.5
185.13266	9.9
187.11200	4.3
187.13242	2.2
187.14827	4.4
189.09209	2.2
189.11151	2.6
189.12733	2.5
193.10384	2.0
193.12242	6.9
195.08076	1.9
195.11641	5.4
195.13571	3.1
197.13260	5.6
199.11154	2.5
199.14816	6.4
201.12778	2.4
201.14737	3.2
203.79254	1.8
207.11780	2.4
207.13794	1.9
209.13266	4.8
211.14880	4.9
213.16333	3.0
221.13303	2.0
221.15149	2.1
223.14861	2.8
225.12779	2.1
227.16261	3.0
235.14825	2.9
241.19470	5.8
243.15964	6.4
243.21066	4.2
257.17255	2.5
259.04865	2.2
259.20731	9.4
261.22229	8.4
267.15891	4.3
269.17551	3.4
271.20587	2.4
275.20111	3.9
287.13113	2.0
299.19080	1.9
313.21713	2.4
315.23077	3.5
317.24600	2.2
321.21774	2.3
323.23636	2.4
325.21790	1.9
333.13452	2.4
333.24188	8.6
335.25742	9.5
351.23102	2.1
367.22839	3.8
393.23584	2.5
409.30795	2.3
417.31586	2.7
424.53552	1.9
435.32471	4.4
482.82977	2.1
485.36447	3.1
501.35736	17.6
503.30542	2.9
503.37350	47.1
509.36310	4.2
527.37329	30.4
533.38538	3.7
541.34735	2.1
545.38232	4.9
559.39374	5.5
593.35126	2.3
635.39178	3.0
653.40509	2.9
653.50299	2.0
667.39819	3.0
671.41614	4.0
685.39862	7.4
689.42328	7.5
703.40900	14.4
721.43188	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	721.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.1
53.88889	2.7
54.55027	2.6
54.91033	2.6
55.01857	8.5
55.05513	29.6
57.03432	15.9
57.07064	3.3
58.55961	2.7
63.02399	2.8
65.03932	3.6
67.05504	100.0
69.03407	7.3
69.07076	21.9
71.08634	2.9
73.06521	2.8
79.05494	84.8
81.03425	30.7
81.07056	83.8
83.04567	3.0
83.04981	20.0
83.08626	9.7
85.06537	5.2
86.09705	22.3
91.05481	81.4
93.07037	79.2
95.01276	2.7
95.04973	22.4
95.08608	51.5
97.02872	5.0
97.06542	14.1
97.10211	4.7
98.21572	5.1
103.05466	4.8
105.07034	70.7
107.04961	7.9
107.08592	32.1
109.06530	8.0
109.10146	18.8
111.08065	4.4
117.07021	12.9
119.08585	38.5
121.06517	5.9
121.10155	20.3
121.59103	2.8
123.08060	8.4
124.99999	8.8
129.07014	13.4
131.08563	18.6
133.06512	2.9
133.10144	26.1
135.11702	10.6
139.77411	3.1
143.08563	11.7
145.10121	19.3
147.11688	34.5
149.09619	5.0
149.13135	6.2
159.11690	9.6
161.09663	5.0
161.13214	15.3
163.11183	6.4
169.10117	4.2
171.11702	26.2
174.23274	3.0
175.14786	2.9
179.14215	4.5
184.07335	70.5
185.07677	7.2
189.12721	8.8
193.12227	7.0
207.13824	20.9
211.13269	8.7
225.14993	3.2
243.21114	4.0
261.22150	11.1
267.15936	6.1
275.19998	20.6
281.17444	87.1
335.25781	44.9
349.23663	11.7
429.21063	4.1
541.39233	89.7
559.35962	4.5
703.40454	12.3
721.44794	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.3
53.03939	10.2
55.01872	16.7
55.05512	34.1
57.03437	11.6
57.07077	5.2
60.18499	2.7
65.03934	6.7
67.05511	97.4
69.03424	12.7
69.07070	31.9
70.14224	2.7
71.04993	10.3
79.05492	78.0
81.03426	32.9
81.07060	100.0
83.04986	14.9
83.08611	23.5
85.02917	9.7
91.05485	68.2
93.07046	69.0
95.01329	12.0
95.04984	18.9
95.08616	70.5
97.02893	12.5
97.06530	16.9
97.10172	15.4
98.20790	5.0
99.04481	3.7
99.08082	4.3
103.49353	2.8
105.04542	3.7
105.07034	71.1
107.04947	16.5
107.08601	43.0
109.02885	6.6
109.06527	9.8
109.09478	4.7
109.10162	44.6
111.04449	5.0
111.08095	6.6
113.02367	3.2
115.05450	7.3
116.06236	3.0
117.07025	27.5
119.08582	48.3
121.06528	11.0
121.10161	36.3
123.04367	6.0
123.08084	6.8
123.11708	12.8
125.02394	3.2
125.09659	6.0
127.03976	4.8
128.06235	6.8
129.07025	21.0
130.07829	2.9
131.08560	44.8
133.06500	8.8
133.10139	44.0
135.04408	5.9
135.08099	10.9
135.11728	21.7
137.09602	5.9
141.01846	6.4
141.06967	10.8
142.07802	4.7
143.08559	24.3
145.06529	6.4
145.10135	35.2
147.04402	6.1
147.08057	7.0
147.11688	27.2
149.02388	3.8
149.05986	4.2
149.09618	9.8
149.13213	15.8
151.03935	5.1
151.11186	6.0
153.06897	3.8
155.08553	12.9
157.10178	20.9
159.08035	6.5
159.11691	30.5
161.09622	8.7
161.13281	12.3
163.04015	3.4
163.11201	6.4
163.14856	8.0
167.08617	8.7
169.04945	4.3
169.06448	5.0
169.10123	17.4
171.08061	3.6
171.11731	15.8
173.09637	4.7
173.11932	3.2
173.13200	14.4
175.11185	7.3
175.14821	6.6
177.12735	3.7
179.08549	4.6
181.10143	8.7
183.07980	5.2
183.11714	9.5
185.09702	3.3
185.13235	9.9
187.11240	7.0
187.14830	7.8
189.11160	4.4
189.12823	3.0
193.12238	8.0
195.11757	6.5
197.13284	8.0
199.11057	3.8
199.14844	8.2
205.12212	3.6
207.13776	3.1
209.13319	6.1
211.11214	4.1
211.13120	4.0
211.14905	5.5
213.12819	5.7
223.14919	4.4
223.57921	3.0
223.80220	2.7
227.12846	3.5
241.19455	3.1
243.21075	4.4
259.13635	2.6
259.20612	8.5
261.19119	2.9
261.22189	11.3
263.17902	3.9
267.15872	7.2
273.18524	3.4
275.20062	13.5
279.23212	3.4
285.22076	3.8
287.12839	4.0
289.14444	3.8
289.21707	3.5
291.19592	3.8
293.21332	3.5
299.15100	2.8
301.25095	3.0
303.23145	4.2
311.48199	3.0
323.23151	3.1
333.13364	3.4
333.24191	4.4
335.25952	20.7
349.23718	5.3
351.14459	17.8
425.18277	4.7
435.32550	7.3
443.18982	7.8
501.35220	4.6
503.37204	8.8
509.36465	4.8
527.37292	41.5
528.38135	5.9
541.35028	8.8
545.38654	23.8
559.36304	5.6
565.35052	4.7
575.33368	4.8
593.34717	4.0
611.35675	12.6
629.36542	8.2
667.38568	9.2
685.39392	32.2
703.40466	59.2
704.39630	3.7
721.41547	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	721.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01868	3.4
57.03430	1.3
60.04516	2.0
65.03926	2.8
67.05509	2.1
68.99791	19.0
69.03426	2.6
69.83292	8.0
70.06589	13.8
71.01357	1.4
72.08138	4.7
73.02885	1.8
81.03395	6.7
84.04501	1.7
84.08140	4.8
85.02886	4.5
86.09706	7.3
89.03902	2.3
91.05475	3.3
93.03394	2.1
95.04938	3.5
97.02898	3.0
99.04418	1.8
102.05507	2.1
103.05454	2.7
105.07014	2.2
107.04947	4.3
109.02892	8.5
109.06577	1.6
110.07164	2.2
111.00791	5.0
111.04441	7.1
115.05435	4.2
117.03340	3.4
117.07009	2.8
119.04950	6.5
120.08102	2.1
121.02870	33.0
123.04430	31.3
127.03918	25.1
129.10262	2.2
131.04903	4.7
135.04419	31.0
136.07599	3.1
137.02361	2.1
137.05966	7.6
139.03882	10.9
141.01794	1.8
143.04922	4.9
145.02850	7.3
145.06468	2.2
147.04395	3.8
149.05919	1.8
151.03902	6.3
155.03824	2.1
155.04918	11.9
159.04390	4.2
161.02327	1.6
161.05971	6.7
163.03905	72.3
165.01897	7.5
165.05521	4.0
167.03418	2.6
173.02364	2.3
173.05977	11.9
175.03891	1.6
177.01897	3.7
177.05418	4.9
179.03372	3.0
181.04994	2.1
183.02914	3.0
183.04362	12.5
187.03851	11.3
189.01794	4.1
191.03403	4.4
195.02884	3.6
197.05977	2.6
201.05457	27.0
203.03409	4.0
205.04938	3.8
207.02849	5.8
207.06537	2.4
211.03932	3.4
213.05394	3.5
215.03511	2.2
219.02963	2.6
219.06516	11.0
225.05479	2.4
227.03476	1.9
229.04982	16.9
233.04395	1.6
239.03474	1.6
241.04958	6.7
243.02893	3.5
245.04366	2.5
247.06026	100.0
247.18513	1.6
253.05019	5.1
255.02859	2.1
255.06548	3.6
257.04471	15.3
258.05127	2.7
261.07700	2.7
267.02960	2.8
267.06555	7.5
268.07123	3.0
269.04437	5.7
269.08002	2.4
270.05316	2.3
271.02823	2.8
271.06012	13.3
279.06561	4.8
280.07477	2.0
281.04446	5.4
281.08124	5.7
282.54758	1.9
283.02408	22.9
283.05994	87.2
284.06677	5.4
285.03827	4.6
287.05450	16.6
289.07117	4.1
291.06702	2.0
293.08105	2.5
294.05368	11.9
295.02527	4.3
295.05991	40.0
295.09396	3.5
296.06641	7.5
297.04263	3.0
297.07568	12.4
299.05481	6.2
305.08005	2.3
307.06009	15.1
308.06744	10.5
309.03870	11.5
309.07565	23.3
311.05475	14.2
313.03403	11.8
313.07053	45.6
319.05969	2.2
321.07648	9.7
322.08353	4.2
323.05493	9.7
323.09174	12.3
325.07065	75.1
327.05099	1.9
329.06570	5.8
331.04572	4.2
333.07462	4.9
335.05435	14.3
335.09094	2.7
337.03345	9.0
337.07013	49.9
339.08655	3.2
347.09146	1.8
349.06989	15.3
351.04907	3.0
351.08511	11.2
353.06671	10.0
355.04193	3.4
355.08084	26.8
361.06992	9.1
363.08612	2.8
365.10269	7.5
367.03821	2.4
367.08099	24.3
371.07443	3.0
375.08542	5.1
377.06351	2.8
379.08224	37.6
391.08331	10.1
397.09473	12.7
401.06509	8.7
403.08157	16.3
409.09158	7.5
415.10376	49.2
419.07547	11.9
421.09158	13.6
427.07977	4.8
429.09747	2.2
431.07748	8.6
431.12817	2.2
433.08908	10.3
439.10178	15.5
441.09781	2.8
443.11432	2.5
445.09100	3.4
449.08627	10.2
450.28174	1.5
457.11331	42.4
471.11017	2.9
473.08640	15.1
485.08478	8.0
486.07263	1.8
487.09955	2.0
497.08792	3.8
499.10104	6.6
503.09622	5.9
515.09924	7.5
517.11322	5.0
533.10907	15.1
535.12311	8.0
551.11938	21.1
553.11249	4.9
559.12299	3.6
571.12415	12.4
583.12482	7.8
601.13403	17.5
607.12042	2.6
625.03656	1.9
625.13416	32.0
637.14044	2.3
649.13110	2.7
655.13885	5.2
667.13562	4.1
685.15485	15.6
686.16718	1.6
703.16138	6.0
721.34583	2.1
721.89825	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	720.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05320	1.2
55.05512	11.5
57.03442	12.1
57.07075	31.1
59.04991	3.0
60.08160	3.8
61.02912	3.4
65.36338	1.3
67.05502	28.8
67.73731	1.1
69.03417	1.8
69.06721	1.9
69.07072	18.2
69.51623	1.1
71.04990	3.2
71.07379	2.3
71.08632	22.7
71.50172	1.7
73.02914	2.4
79.05495	15.5
81.07056	70.7
83.04999	5.9
83.08614	11.4
85.02898	3.3
85.06544	5.9
85.10180	13.6
86.09704	18.0
89.06021	2.5
91.05484	17.8
93.07047	8.4
93.85279	1.1
95.04954	2.3
95.08608	26.4
97.02861	2.1
97.06522	4.1
97.10162	5.2
98.98463	2.0
99.08072	2.1
101.06036	2.0
105.07025	24.7
107.08597	9.2
109.06502	5.8
109.10168	9.0
119.08576	24.0
121.10143	15.4
123.08083	2.8
123.11700	27.0
125.00026	12.0
129.06996	1.2
133.10086	2.2
137.13304	2.9
147.11693	50.8
165.12750	19.7
175.11186	1.8
183.13847	1.9
184.07343	58.9
193.12187	1.4
229.14342	4.1
239.23616	3.0
251.07013	1.1
257.24667	2.1
267.15909	92.7
285.16962	89.9
286.17346	2.5
313.27362	100.0
314.27640	2.7
331.28140	2.2
523.39941	99.4
524.40204	3.4
688.45953	7.3
720.44067	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	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01869	1.2
55.05275	0.6
55.05513	8.1
57.03436	8.0
57.07080	19.2
57.28133	0.5
61.02914	1.7
62.34819	0.5
67.05506	11.6
69.03420	2.4
69.07066	6.9
69.41957	4.2
70.40466	0.5
71.04974	1.9
71.08633	12.9
73.02916	0.6
79.05492	8.2
81.03421	36.1
81.07060	17.4
83.04993	6.4
83.08619	17.6
85.02906	11.7
85.06525	0.7
85.10181	7.7
86.09715	0.9
87.04459	0.8
89.06042	1.2
91.05484	9.0
93.07042	6.8
95.04971	12.3
95.08614	12.1
97.02888	2.6
97.06515	1.6
97.10170	3.9
99.08124	0.6
99.11708	0.8
105.07037	8.6
107.04938	2.9
107.08601	3.5
109.06532	2.0
109.10158	5.4
111.04422	1.4
111.08086	5.7
113.05971	0.9
115.05458	0.9
117.07032	0.6
119.08575	8.4
121.10148	4.7
123.08068	1.4
123.11695	2.8
125.00005	0.7
129.07018	5.0
131.08566	4.0
133.06488	1.1
133.10144	4.2
137.09673	0.9
142.07765	0.7
145.10153	0.7
147.08029	1.5
147.11674	7.1
149.09610	3.2
157.10120	6.2
165.12741	1.5
173.65158	0.5
175.11200	7.4
180.71249	0.6
184.07359	2.2
193.12254	23.8
198.42854	0.6
211.13297	36.5
211.42058	0.6
228.40633	0.6
239.23773	1.7
249.14984	0.7
257.24750	1.3
267.13107	0.7
267.15918	9.9
282.65463	0.6
285.16968	32.7
313.27374	43.3
314.27823	0.8
400.41562	0.7
505.38916	8.1
509.53940	0.7
523.39960	100.0
524.40417	3.8
720.44702	1.1
740.65094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4444
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
53.69236	0.1
55.05503	0.2
56.05035	0.8
57.07078	0.2
58.06365	0.2
58.06630	0.4
59.07386	0.2
59.52881	0.1
60.08164	5.5
67.05489	0.2
69.16814	0.4
69.17229	1.0
71.07375	3.8
79.05509	0.2
79.48159	0.1
81.07059	0.2
86.09708	29.4
87.10033	0.2
91.05497	0.2
93.07064	0.3
98.98466	3.5
104.10744	2.2
119.72469	0.1
125.00006	20.6
154.02376	0.1
162.47893	0.1
180.49641	0.1
184.07341	100.0
185.07741	0.6
496.34052	0.2
720.44537	5.0
721.44769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57531	0.9
53.03937	2.7
55.01881	1.0
55.05511	7.3
57.03437	5.7
65.03941	1.7
67.05505	18.7
69.03438	1.0
69.07066	3.8
69.07906	0.8
70.85500	1.6
70.85841	0.9
71.04979	1.5
73.34793	0.9
79.05497	26.3
81.03420	34.0
81.07059	17.1
83.04987	5.1
83.08627	9.4
85.02924	1.2
85.06549	1.9
91.05481	24.0
93.06487	1.7
93.07046	24.5
95.04969	15.6
95.08598	10.3
97.02892	1.5
97.06555	2.2
97.10171	2.8
103.05427	1.0
105.07034	16.4
107.04935	3.0
107.08588	7.0
109.02871	0.8
109.06526	3.9
109.10171	2.2
111.04488	1.1
111.08090	3.7
117.07018	3.1
119.08586	10.7
121.06499	1.4
121.10154	3.5
123.08066	2.5
129.07014	8.0
131.08577	3.9
133.06512	1.3
133.10159	5.7
135.08022	1.4
135.11671	1.7
141.07018	0.9
142.07761	1.0
143.08578	3.3
145.10130	4.3
147.08069	0.9
147.11693	14.4
149.09566	2.2
157.10094	4.2
161.09621	1.6
161.13255	3.5
171.11685	10.8
175.11177	2.7
184.07491	1.0
189.12776	2.3
192.81546	0.8
193.12268	6.8
207.13811	10.2
209.33427	0.9
237.10428	0.8
240.10344	0.9
249.14873	0.9
267.15915	29.7
281.14365	1.3
281.17490	37.1
473.29013	100.0
474.29416	3.5
491.29922	2.4
515.29913	2.4
524.35760	0.9
588.90955	0.9
617.97388	0.9
748.70856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	3.0
53.03945	1.9
53.14785	0.5
55.01878	3.1
55.05271	0.8
55.05515	10.0
57.03440	4.6
59.04976	1.6
61.02925	1.9
65.03934	0.6
66.17986	0.6
67.05511	10.1
69.03445	1.4
69.07060	1.6
70.06585	1.9
71.01342	0.9
71.04979	1.3
71.35150	0.8
72.08135	0.9
73.02899	1.1
79.05502	5.8
81.03419	5.0
81.06590	1.0
81.07059	11.8
83.04971	1.8
83.08163	0.7
83.08625	8.0
85.02888	2.2
85.06551	1.0
86.09703	1.3
88.23279	0.6
91.05488	14.4
93.07053	10.4
95.04974	4.1
95.08614	4.1
97.02892	3.9
97.06532	2.9
97.10185	1.6
98.21323	0.7
99.00821	12.9
99.01469	0.9
101.02373	0.6
103.05458	1.4
105.07041	10.4
107.04959	5.1
107.08612	5.8
109.02884	9.8
109.06515	2.4
109.10162	2.8
111.04440	1.7
111.08078	3.5
115.03940	2.7
116.07095	0.7
117.07009	2.0
119.04985	0.6
119.08597	6.5
119.89079	0.6
119.91421	0.6
120.48759	0.6
121.02902	0.6
121.06510	6.8
121.10153	1.5
123.04421	1.2
123.08138	0.9
123.11719	1.3
127.03906	2.3
128.06178	1.1
131.08589	1.3
133.06493	1.7
133.10136	29.7
134.10394	0.6
135.08070	1.1
135.11673	1.8
137.05981	1.7
137.09631	1.5
139.07544	2.7
143.08586	4.3
145.06479	0.9
147.04401	0.7
147.08049	1.6
151.11194	8.6
161.09627	16.8
163.11203	1.0
168.53612	0.5
171.08054	3.2
179.10667	8.7
189.09106	7.5
197.11763	2.8
207.10216	2.6
225.11224	10.8
243.12311	2.6
267.15884	2.0
281.13873	7.7
299.14911	100.0
300.15277	1.6
443.83105	0.6
465.00531	0.5
473.25052	1.3
491.26010	2.8
523.25421	45.8
524.25537	1.7
641.60687	0.6
696.60388	0.9
727.13898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	3.2
53.03955	17.8
55.01873	23.4
55.05511	38.5
57.03433	13.0
57.07055	6.3
59.45419	3.0
61.02907	2.5
65.03938	6.3
67.05505	83.3
69.03434	13.8
69.07072	29.1
69.14585	31.1
71.05003	16.7
71.08622	5.5
73.02905	3.8
79.05489	98.7
81.03416	27.9
81.06592	6.0
81.07056	99.5
81.07530	5.5
83.04986	15.2
83.08617	23.5
85.02896	7.6
85.06538	7.8
87.04491	4.2
89.06013	6.6
91.05479	99.4
93.07045	78.5
93.07635	4.4
95.01331	5.5
95.04968	25.0
95.08604	54.3
97.02885	17.0
97.06531	19.9
97.10155	20.1
99.04494	2.8
103.05470	4.0
105.04539	2.6
105.06306	4.9
105.07030	100.0
107.04965	14.8
107.08579	37.7
109.02869	5.7
109.06523	4.6
109.10153	18.4
111.08055	6.2
115.05439	5.2
117.07020	29.1
119.08576	65.0
121.06518	6.2
121.10132	17.8
123.08066	6.7
123.11688	4.2
125.09603	8.6
127.03904	3.5
128.06242	6.9
129.06996	25.3
131.08560	33.6
133.06535	5.7
133.08617	5.3
133.09027	2.5
133.10123	51.9
135.08099	6.3
135.11688	18.2
137.06050	2.6
141.06960	5.5
142.07814	3.6
143.08585	24.8
145.06509	3.9
145.10124	34.1
147.11693	44.2
147.77911	2.7
149.09619	2.8
149.13260	12.3
151.03911	7.3
151.11208	5.1
155.08586	7.5
156.09354	3.4
157.04988	4.0
157.10161	18.1
159.11702	28.7
161.09622	4.7
161.13228	23.7
163.07484	4.2
163.11157	4.7
163.14827	4.3
165.09192	6.6
167.08600	5.9
169.10127	12.7
171.11690	27.9
173.04518	6.9
173.13199	12.7
175.11237	3.2
175.14799	8.5
177.12669	3.8
179.14342	9.8
181.08551	3.9
181.10165	5.9
183.11703	10.9
184.07297	14.4
185.09631	3.5
185.13306	11.7
187.11157	5.3
187.14790	6.6
189.11273	5.8
189.12766	7.2
195.11777	6.8
197.13251	12.2
199.14824	10.0
207.11844	4.8
207.13824	9.7
209.13249	6.1
211.14799	5.2
213.16489	3.0
223.14879	3.2
227.12767	3.0
231.20946	3.8
239.18048	3.9
241.19499	13.6
257.19153	4.5
259.20624	34.7
275.20062	53.0
279.15961	10.1
281.17484	33.2
293.21030	3.2
315.23059	5.3
329.65552	2.8
333.24237	19.5
335.26001	4.1
349.24008	5.5
389.26740	7.2
429.31680	2.8
437.34113	3.5
447.32684	16.9
457.25497	3.1
465.33527	11.0
475.75729	3.1
476.04828	3.0
483.34628	5.1
521.36212	7.4
531.36841	4.9
539.37390	63.9
540.37500	3.7
557.38519	31.9
683.37866	4.0
701.41040	14.0
715.43152	3.4
719.42566	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	718.531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.07077	56.5
58.07388	0.6
59.05005	14.6
60.08170	0.6
67.05530	0.7
69.07051	1.4
69.28031	5.5
71.04980	0.6
71.08633	53.1
73.02925	1.3
73.06572	4.5
81.07046	1.1
83.08640	1.4
85.10186	50.9
86.09706	3.9
87.04468	17.0
89.06032	100.0
91.05489	0.9
93.07048	0.7
95.08609	0.6
97.06561	0.6
97.10193	0.8
99.11716	4.7
103.07587	7.3
105.07051	0.7
107.07082	1.4
117.07005	0.7
117.09145	4.1
119.08554	0.8
124.99987	3.5
130.08643	1.4
130.89842	0.6
131.07031	6.3
133.08606	72.2
134.08923	0.8
141.16388	3.6
161.11742	1.4
175.09679	4.6
177.11234	30.7
179.12762	0.8
184.07346	15.3
185.19196	0.6
199.20555	4.8
219.12344	1.7
221.13849	5.6
239.14915	1.3
242.47830	0.6
243.23305	3.8
265.16531	2.3
276.20584	0.6
283.17542	1.5
309.19095	1.3
327.20212	0.8
344.24393	0.6
353.21423	0.7
371.22995	0.7
415.25592	1.9
459.27985	1.0
503.30496	5.9
524.97833	0.7
701.49811	1.2
718.53900	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	718.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01840	2.3
55.02084	0.7
55.05512	11.1
57.03440	9.9
57.07076	29.7
59.03239	0.7
61.02897	1.6
65.03919	1.3
66.20741	0.7
67.05505	17.7
69.03400	0.9
69.07066	11.4
70.62620	1.5
70.63008	2.1
71.04960	2.5
71.08631	22.2
71.60950	0.8
73.02884	1.5
75.35448	0.6
79.05492	19.0
81.03382	1.8
81.07054	25.4
83.04948	2.1
83.08619	14.2
85.02882	1.3
85.10183	13.4
86.09639	0.9
89.06028	4.9
91.05481	6.3
93.07045	29.1
95.04946	4.9
95.08607	43.6
97.02909	3.7
97.06511	4.3
97.10172	4.4
99.04437	4.3
103.07542	1.2
105.07025	4.6
107.04949	8.2
107.08597	23.2
109.06485	1.6
109.09486	0.7
109.10158	8.0
110.98923	0.7
111.04407	1.4
111.08008	2.2
111.11651	0.9
113.05972	0.9
117.07022	8.4
117.09103	0.7
119.08573	7.9
121.06504	3.9
121.10143	12.3
123.11687	2.6
124.99942	0.9
125.06006	3.4
127.07501	1.0
130.07755	1.1
133.08551	1.5
133.10074	2.6
135.08040	1.6
135.11691	42.0
139.07497	1.5
145.10117	22.5
153.85216	0.8
163.11179	58.7
164.11568	1.1
173.09561	0.9
181.12216	10.1
184.07327	2.7
202.02217	0.7
209.11736	1.0
224.59151	0.9
227.12778	64.9
228.13046	1.2
239.23665	1.3
257.24719	2.4
264.42923	0.7
264.72708	0.8
274.52454	0.7
283.15390	94.5
284.15744	2.6
313.27356	100.0
314.27747	3.2
521.38379	96.7
522.38708	5.0
540.15967	0.7
718.43939	1.6
719.43591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.0
57.03432	5.2
57.07079	100.0
58.04209	5.6
58.07386	2.8
59.05002	48.0
67.05495	4.0
69.07067	5.1
70.84436	2.8
71.08244	4.4
71.08633	74.8
71.49715	2.7
71.50116	5.0
72.05766	9.0
73.02908	6.5
73.06550	10.6
81.07031	6.0
83.72053	2.6
84.80663	3.0
85.06547	5.4
85.10186	53.7
86.07316	2.9
87.04475	17.1
87.08071	2.7
89.06033	18.0
90.01920	37.5
97.10139	6.9
99.11718	9.7
101.09652	3.5
102.39618	2.8
103.07580	6.7
108.46165	3.2
117.09099	17.2
133.08612	8.1
152.15649	3.4
155.17947	4.9
177.11194	3.7
178.07202	4.3
184.07367	5.2
213.22112	8.1
222.09776	4.0
260.51559	3.0
266.19830	3.9
270.26221	2.7
271.26343	11.0
277.91010	2.9
281.19250	3.1
306.03763	2.8
338.24744	3.5
340.23386	2.9
352.26492	3.9
372.18576	3.0
434.38300	4.2
478.40714	4.7
545.37720	4.3
566.46173	11.5
576.50043	8.2
717.46912	23.2
722.26758	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	717.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76049	5.0
53.03939	18.4
55.01863	15.5
55.05513	29.5
57.03440	9.3
61.02932	7.9
63.14464	4.1
65.03939	6.8
67.05508	100.0
68.05827	6.4
69.03424	28.8
69.07074	27.6
69.12996	4.1
71.04995	9.7
71.50591	5.2
73.02937	5.1
77.03916	4.7
79.05496	75.0
81.03410	58.6
81.07056	75.4
81.66300	3.8
82.22417	3.7
83.04987	17.7
83.05980	3.4
83.08633	23.0
85.02894	9.2
86.09697	9.5
91.05476	88.5
92.05807	6.5
93.07044	62.7
95.04963	25.6
95.08598	40.3
97.02908	14.5
97.06522	21.3
97.10191	6.5
99.04449	7.7
103.68172	4.0
105.06358	2.9
105.07030	71.7
107.04973	22.0
107.08599	32.0
108.08984	5.5
109.02888	9.2
109.06490	9.5
109.10151	48.0
110.10478	9.4
111.04422	5.9
111.08064	5.1
117.07030	24.2
118.58302	4.5
119.08591	43.5
121.06520	13.2
121.10113	13.0
123.08073	10.1
123.11708	6.8
124.99989	4.5
127.03914	7.7
128.06226	7.8
129.06989	20.6
131.08559	30.6
133.06483	6.9
133.10127	39.6
134.10477	10.3
135.08098	8.3
135.11670	9.2
137.09669	5.7
141.06976	9.0
143.08545	15.0
145.06483	5.7
145.10088	30.1
147.08052	6.6
147.11687	28.2
149.09650	9.5
149.13249	7.6
151.11232	11.3
155.08545	6.5
155.10643	4.8
157.06479	5.0
157.10092	8.4
159.11700	15.4
161.09633	10.4
161.13292	7.8
163.11180	6.6
167.08522	4.8
169.10144	6.1
171.11745	18.0
173.04469	18.3
173.11894	6.4
173.13326	9.2
179.14328	5.6
181.10109	6.2
183.11652	10.1
184.07384	25.5
185.07649	5.3
185.13287	4.5
187.11224	7.9
189.12750	8.2
195.11751	4.8
207.13802	11.8
229.14334	21.2
230.14732	7.8
239.17755	4.5
247.20697	4.1
253.14299	23.1
254.14680	13.4
257.19244	4.9
269.15189	4.7
273.18570	5.2
275.20059	52.3
279.16208	5.0
281.17514	15.9
285.00339	5.2
287.16397	5.8
291.19565	6.6
349.23746	15.3
365.23569	4.7
380.47696	4.1
386.71841	4.4
426.25571	8.9
476.79443	4.4
502.33380	5.7
519.34198	4.6
520.33508	19.3
527.36652	5.9
537.35748	6.5
545.19226	4.6
555.36743	47.2
580.40131	5.3
645.49158	4.5
699.40704	7.7
717.41364	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	717.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81036	2.5
51.02390	2.8
53.03951	13.7
55.01876	29.5
55.05518	26.3
57.03435	7.6
57.07072	12.0
59.04990	9.7
60.08129	2.9
65.03938	4.5
67.05509	61.8
69.03435	15.5
69.07073	36.5
71.04992	4.5
71.08634	21.3
73.10148	2.7
79.05499	73.6
79.43740	2.6
81.03420	34.2
81.06606	3.6
81.07066	73.1
83.04985	17.2
83.08615	9.7
85.02898	11.1
85.10187	13.2
86.09720	20.3
89.06033	14.4
91.04916	5.0
91.05486	94.7
93.07050	61.5
93.83846	2.6
93.91925	2.3
95.01328	11.4
95.04993	16.4
95.05482	2.7
95.08614	51.2
97.02895	8.5
97.06551	36.7
97.10155	3.7
98.20731	5.3
98.98437	3.6
103.05513	3.8
105.04510	2.9
105.07038	100.0
105.15565	2.5
107.04962	27.3
107.08587	24.8
109.02901	4.2
109.06509	5.7
109.10157	10.7
111.04468	2.6
111.08071	4.2
115.05457	7.4
117.07026	30.2
119.04928	3.5
119.08586	50.4
121.06514	6.3
121.10155	13.8
123.04450	5.8
123.08070	9.8
123.11733	2.7
125.00045	14.9
127.03961	3.6
128.06248	7.2
129.07034	18.9
131.08588	31.9
133.06500	10.2
133.08606	9.1
133.10144	48.9
135.08133	6.1
135.11681	8.8
137.09636	4.8
141.07004	9.8
143.08566	15.2
145.06490	9.2
145.10126	24.3
147.08054	5.1
147.11710	23.4
149.09596	10.1
149.13228	6.2
151.11127	3.1
155.08542	8.2
157.06461	3.6
157.10150	11.4
159.08060	4.8
159.11688	15.3
161.09677	4.1
161.13249	11.4
163.11185	8.3
165.09155	4.9
167.08566	3.7
169.10141	7.6
171.08067	4.0
171.11722	10.4
173.04451	7.5
173.13254	7.8
175.11171	3.9
177.12712	4.9
179.14328	15.5
183.11717	3.7
184.05792	5.0
184.07359	52.7
184.08966	4.4
185.07806	7.2
185.09587	3.1
185.19022	5.4
187.11159	8.2
189.12793	6.2
195.11903	2.5
195.13771	2.8
197.13335	3.7
199.11108	2.8
207.13687	4.5
215.17867	2.9
223.14792	3.2
227.60674	3.1
229.19528	3.2
247.20602	5.2
257.19070	6.1
259.16943	5.4
259.20593	4.1
263.16141	3.1
269.15387	8.2
275.20087	91.5
276.20212	2.7
279.15979	8.8
281.17499	7.6
287.16367	12.0
293.21109	6.9
349.23776	27.4
361.19952	5.3
407.20810	4.6
425.21417	12.9
537.35822	3.4
555.36871	37.0
558.31842	2.7
699.41235	13.8
717.36792	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	717.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.1
55.01872	26.2
55.05505	25.6
57.03423	11.6
57.07063	4.7
61.02911	3.4
65.03931	4.4
67.05504	58.6
69.03416	11.1
69.07069	39.5
69.84476	8.0
69.84886	5.9
71.04988	7.7
73.06519	2.7
79.05492	67.0
79.76823	2.6
81.03415	34.3
81.06596	5.1
81.07053	85.5
83.04988	16.2
83.08611	10.9
85.02888	9.0
85.06525	2.5
86.09700	14.0
89.05990	4.3
91.05479	90.4
92.51129	2.8
93.07043	62.0
95.01319	8.5
95.04964	23.3
95.08611	46.2
97.02897	8.2
97.06528	41.9
97.10165	5.6
99.04446	5.1
99.08105	2.7
103.05446	3.8
105.04543	3.2
105.07025	100.0
107.04957	33.6
107.08597	30.2
109.02894	7.5
109.06503	8.7
109.10164	16.4
111.08090	5.3
115.05449	7.6
117.07017	30.8
119.08575	52.7
121.06475	10.0
121.10123	15.2
123.04386	7.2
123.08064	4.7
125.00005	8.3
127.03873	2.9
128.06227	7.7
129.06998	23.2
131.08565	36.9
133.06493	5.4
133.08582	3.5
133.10130	43.8
135.08044	5.5
135.11668	11.1
137.09608	4.6
141.06989	9.1
142.07625	4.0
143.07570	3.3
143.08560	17.2
145.06448	8.1
145.10123	22.6
147.08078	3.9
147.11668	22.8
149.09608	10.8
149.13243	9.4
155.08553	7.5
157.06474	4.5
157.10115	8.2
159.08023	6.2
159.11702	19.0
161.13239	8.8
163.11154	7.5
165.09151	7.1
167.08598	5.2
169.10115	8.3
171.08098	7.0
171.11621	12.5
173.04440	7.4
173.09537	3.8
173.13255	7.3
177.12732	6.1
179.14326	15.7
181.10098	4.9
183.11668	6.4
184.07335	58.3
185.07687	7.9
185.09575	5.1
185.13226	7.1
187.11147	5.4
189.12729	4.7
197.13298	2.9
205.12212	4.1
207.13783	7.6
209.69283	2.8
223.11208	2.9
223.14862	3.8
239.17833	3.1
241.15897	5.7
247.20615	6.8
251.14325	5.0
257.18976	9.0
259.20673	3.5
267.60367	3.3
269.15320	5.5
275.20056	89.2
276.20605	4.1
279.15833	11.5
281.17514	7.5
287.16464	7.7
293.21210	4.2
349.23730	31.5
351.17801	3.1
361.19861	4.1
425.21497	8.7
432.83096	2.7
446.32172	2.7
537.35547	5.7
555.36859	34.6
569.38000	3.6
663.37964	4.8
699.41211	13.1
717.38336	10.5
734.10120	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	717.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87844	0.3
53.03935	0.7
55.01877	0.5
55.05511	2.6
56.96333	0.4
57.03426	2.8
57.07083	3.6
58.07401	0.5
58.14407	0.4
59.04995	1.0
61.02927	5.5
67.05509	5.5
67.67426	0.4
69.03428	3.1
69.07070	1.5
69.91250	2.0
71.01358	0.5
71.04979	0.6
71.08637	2.4
73.02916	7.7
79.05493	4.6
81.03424	1.5
81.07052	5.7
82.07424	0.5
83.05013	0.7
83.08618	1.7
85.02901	5.3
85.10172	1.7
86.09692	0.6
87.04479	1.0
89.06044	1.2
91.03946	3.1
91.05492	2.5
93.07035	5.6
93.35750	0.4
95.04997	0.4
95.08607	4.7
97.02905	3.6
97.06516	0.5
97.10191	1.5
99.04465	0.9
99.11730	0.6
101.02392	1.7
103.03931	0.7
105.07028	1.5
107.08582	3.1
109.02922	1.0
109.10147	1.7
115.03962	0.6
117.06992	0.7
119.08576	1.4
121.10142	2.3
125.09663	1.0
127.03934	1.4
131.08603	0.8
131.84158	0.4
133.08601	0.9
133.10112	1.0
135.08073	0.5
135.11694	3.1
145.10207	0.9
147.11714	0.6
159.11667	0.6
173.13274	0.4
182.96373	0.3
184.07381	1.9
185.04247	0.5
191.97644	0.4
194.33302	0.3
205.10655	0.4
221.11533	1.3
243.08519	1.9
259.15479	1.3
260.15891	0.5
261.22153	0.5
335.25842	2.6
336.26291	1.7
439.19449	4.4
475.34271	0.9
490.86255	0.4
519.29297	7.5
520.37396	1.1
717.41809	100.0
718.42078	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	716.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
57.03435	1.0
57.07077	100.0
58.07418	0.6
59.05004	32.1
64.85229	0.5
69.07061	2.2
69.32832	2.8
69.33248	1.3
71.08633	73.8
73.06558	1.1
79.05480	0.8
80.87393	0.6
81.07076	1.3
83.08610	2.6
85.10183	58.2
86.09721	1.1
87.04461	5.9
89.06031	42.9
90.24748	0.5
91.96539	0.5
95.08582	1.1
97.10149	3.7
99.11733	11.6
101.06007	0.7
101.09657	2.8
107.07078	1.0
113.00541	0.5
113.13302	3.9
117.09124	10.4
130.08574	0.8
131.07034	1.7
133.08607	30.6
155.17950	9.7
175.09633	2.1
177.11212	13.2
184.07312	2.6
213.22125	13.3
221.13744	1.8
239.14751	0.6
254.24695	0.9
265.16525	0.7
271.26337	13.7
283.17654	0.7
327.19879	1.0
371.22763	8.7
389.26624	0.6
429.26706	1.7
466.54715	0.6
503.30377	1.1
575.48560	1.8
716.55408	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	716.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.0
53.64803	0.7
55.05518	4.1
57.03426	2.5
57.07077	100.0
59.05003	52.0
59.05270	0.7
59.98875	0.7
67.05516	1.7
69.07063	2.5
71.08633	95.0
81.07052	1.8
83.08617	4.1
85.10184	97.9
86.09690	1.5
86.55133	0.8
87.04457	5.7
89.06031	41.6
93.07040	1.1
95.08590	2.6
97.10157	2.4
98.20811	2.4
99.08087	1.9
99.11736	11.4
101.06053	0.9
101.09672	3.9
103.07593	2.0
109.10165	1.0
110.27444	0.9
117.09138	21.6
119.08556	0.8
124.99983	1.0
125.13267	0.8
130.08607	0.9
133.08604	26.2
135.10149	0.9
141.16374	9.5
147.10129	0.9
175.09610	1.2
177.11208	9.0
184.07315	4.9
191.12723	0.9
199.20578	24.7
221.13849	2.4
239.14894	1.1
240.23196	1.6
257.24759	31.3
268.74683	1.0
315.28961	2.0
327.20175	7.3
336.00134	0.9
346.61874	0.8
372.81808	0.8
385.24237	3.1
575.49835	2.5
594.66400	0.9
716.55103	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	715.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20043	0.3
53.03935	1.3
55.05512	1.7
56.98660	0.3
57.03431	2.1
57.07070	0.8
59.04996	0.5
61.02929	6.4
61.82161	0.3
65.03944	0.5
67.05509	5.5
69.03431	3.2
69.07059	1.3
71.01362	0.5
71.04995	0.5
71.08630	0.7
71.50365	0.4
73.02921	4.5
79.05489	4.3
81.03429	2.0
81.07053	4.9
83.08618	0.6
85.02902	5.2
85.10186	0.7
86.09706	1.0
87.04459	0.5
89.05988	0.4
91.03963	3.4
91.05479	7.1
92.05817	0.4
93.07044	4.2
95.04949	0.7
95.08604	4.1
97.02887	4.9
99.04467	1.0
101.02379	1.9
103.03943	0.8
105.07045	3.3
107.08595	2.1
109.02884	0.8
109.06535	0.3
109.10166	1.6
115.03947	0.5
117.07030	0.6
119.08581	1.1
121.10140	1.7
122.61241	0.4
124.99979	0.8
127.03913	1.2
131.08592	0.8
133.10124	5.2
135.11705	1.1
143.08597	0.5
145.10120	0.6
149.13243	0.5
151.11180	0.6
158.50078	0.3
159.11748	0.4
161.09608	0.8
173.13278	0.4
184.07362	5.2
185.04222	0.8
185.07642	0.7
193.64421	0.3
203.05310	0.5
219.09940	5.2
220.10085	0.5
243.08376	2.7
303.06918	1.1
335.25873	0.6
437.18024	2.6
455.37308	0.6
514.35071	0.4
519.29333	10.6
570.22345	0.4
574.49329	0.5
715.40234	100.0
716.40576	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	716.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.05513	11.5
56.59008	1.7
57.03426	8.0
57.03674	2.3
57.07076	30.2
59.04996	3.1
67.05180	2.7
67.05505	36.8
69.07078	11.5
69.37663	2.0
70.09204	1.9
71.04976	2.8
71.08636	22.7
72.66795	2.0
79.05493	41.7
81.03406	3.8
81.07052	30.0
83.04974	6.3
83.08617	10.7
85.10170	10.7
86.09678	3.4
89.06028	4.4
91.05484	32.9
92.05795	1.8
93.07040	34.0
95.04987	9.1
95.08612	25.6
97.06555	1.8
97.10175	6.0
105.07043	22.6
107.08559	8.6
109.10142	7.6
117.07037	3.6
119.08607	15.2
121.10102	2.3
123.08035	3.7
123.11736	3.8
125.00014	2.4
129.06989	7.4
131.08572	2.4
131.10405	1.7
133.08577	2.5
133.10117	7.5
143.08545	4.0
145.10126	5.4
147.11713	20.0
161.13275	4.8
171.11707	12.2
184.07314	13.9
189.12735	4.2
207.13843	18.6
233.24413	2.3
281.17471	54.6
313.27371	53.4
325.58377	2.4
386.82111	2.2
494.49921	2.3
519.40479	100.0
520.40643	4.8
575.50159	21.1
670.05817	2.2
716.45856	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	715.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01862	1.0
65.03906	0.9
68.99763	0.9
70.06564	0.5
70.44080	0.7
70.44411	0.7
71.82866	0.4
72.44158	0.4
79.01858	2.1
79.05473	0.6
81.03397	1.4
81.55011	0.4
84.08110	0.6
85.02882	1.5
86.09666	1.3
91.05450	1.7
93.03413	2.1
93.20840	0.4
95.08587	0.6
97.02868	0.7
98.20959	0.5
103.05424	0.9
105.07014	0.4
107.04940	2.8
109.02880	2.4
111.04424	0.7
119.04141	0.5
119.04942	8.0
121.02870	12.7
121.03745	0.4
121.06493	1.4
131.04958	0.9
133.02826	0.6
135.04427	0.4
135.11690	0.4
137.02330	0.7
137.05949	1.1
139.03877	0.5
141.01782	1.3
143.04903	0.6
145.02835	1.2
147.04373	0.7
149.05974	0.6
151.03897	0.9
153.01820	0.7
157.06433	0.5
159.04477	2.1
161.02304	1.7
161.05968	0.7
163.03876	0.7
165.00537	0.7
165.01833	7.4
171.04410	0.9
175.03900	1.7
177.01819	7.6
177.05476	0.6
179.03383	2.5
183.02921	3.1
185.06081	0.4
187.03856	1.2
189.01807	4.1
189.05449	0.8
191.03329	0.7
195.02910	10.0
197.04445	0.7
199.03880	1.8
201.01761	0.5
203.03401	11.8
207.02893	4.7
213.05431	1.7
215.03406	1.5
217.04951	5.8
221.04433	1.7
227.03374	2.2
229.04892	0.5
231.02846	0.5
235.05934	1.1
239.06874	0.4
241.04811	0.4
242.12634	0.4
243.02946	2.4
245.04449	0.6
251.07162	0.7
253.04953	0.5
255.02838	4.3
261.04016	0.9
265.19119	0.4
267.06543	2.9
268.07321	3.0
269.07883	0.5
271.06012	12.1
273.04071	2.3
279.06503	3.5
281.07925	0.4
283.06015	62.7
284.06439	1.7
289.08414	0.4
289.21472	0.4
293.08090	0.7
295.06012	100.0
296.06567	6.4
297.07523	3.7
305.08069	0.5
307.06009	6.3
308.06531	0.8
309.04028	0.8
309.07574	4.2
313.07141	4.5
317.08157	1.0
319.05991	0.6
320.06720	0.8
321.07581	22.5
323.09058	1.1
325.07071	55.0
326.07462	1.4
333.07501	1.6
335.09128	12.4
337.07111	2.9
345.07516	2.4
347.05563	1.0
347.09421	0.7
349.07062	36.4
350.07300	1.3
361.07068	21.1
362.07269	0.8
363.08652	2.7
367.08279	1.9
373.07123	6.0
379.08139	26.0
380.08591	0.6
391.08145	20.0
397.09109	1.2
409.09189	19.0
410.09534	0.5
415.10291	3.9
421.97318	0.4
427.10294	12.7
445.11374	0.9
577.11353	1.3
595.12463	2.3
619.12463	2.0
679.14160	1.1
697.15491	2.0
715.34595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86214	0.7
53.03938	1.4
54.11053	0.7
55.05523	7.4
55.18896	0.6
56.05045	4.9
57.07084	3.5
60.04500	2.1
61.32864	0.6
64.76279	0.7
67.04237	0.7
67.05507	11.9
68.05003	0.8
69.03429	1.2
69.07065	9.0
70.06574	2.0
71.08614	2.2
71.10847	1.6
79.05493	8.9
80.05009	2.8
80.11436	0.6
81.05788	1.9
81.07063	11.0
82.06584	7.1
83.08626	4.4
85.02895	2.1
85.10177	0.9
85.21918	0.7
91.05489	8.7
93.07043	10.6
94.06570	19.3
95.07336	7.4
95.08611	9.4
96.08143	4.6
97.02887	1.2
97.10153	2.9
105.07034	5.2
107.07378	1.0
107.08571	4.5
108.08106	3.1
109.10140	2.8
111.11697	1.4
119.08579	5.5
121.08836	0.7
121.10147	5.8
122.09663	1.8
123.11727	0.9
133.10120	2.9
134.09596	0.8
135.10469	1.6
135.11674	3.1
136.11220	1.0
147.11691	1.3
149.13254	1.4
173.68855	0.7
219.21123	1.1
224.37096	0.7
233.22641	2.7
245.22690	4.6
250.25340	7.1
254.24800	1.1
262.25305	100.0
263.25662	2.1
272.25864	6.4
280.26334	6.5
334.40213	0.7
366.35175	0.7
385.73691	0.8
504.47797	4.3
516.47754	23.5
516.55511	1.2
517.48474	1.2
518.49524	5.0
534.48816	13.2
573.48871	1.7
583.11053	0.7
601.05859	0.8
658.07117	0.8
696.54156	3.2
709.02100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41140	1.6
53.03932	1.8
55.05508	5.1
56.29097	1.7
57.07064	3.8
59.04998	2.6
67.05500	13.2
67.11903	1.4
69.03436	1.7
69.07066	7.8
69.82296	7.3
71.08618	4.2
71.80492	1.3
78.80544	1.7
79.05506	10.2
80.05048	1.9
81.07058	11.3
82.06582	6.4
83.08613	3.8
85.02879	2.2
89.06007	1.7
91.05479	15.7
93.07050	10.0
94.06574	23.2
95.07346	2.3
95.08618	8.0
96.08125	3.3
97.10157	1.9
105.07019	12.2
106.06576	2.9
107.08602	5.2
108.08095	9.1
109.10129	2.4
117.07022	7.0
119.08582	10.8
120.08170	1.9
121.08880	2.5
121.10132	3.7
122.09661	5.7
131.08553	8.7
132.08035	2.1
133.09023	2.0
133.10136	9.0
134.09653	7.0
135.11761	2.4
145.10155	3.1
147.10454	3.3
147.11678	3.2
148.11172	3.8
159.11696	1.8
173.13301	2.4
197.01765	1.5
203.17923	1.7
220.25801	1.8
229.44914	1.9
231.21101	10.6
243.21053	8.9
248.23769	8.4
260.23740	100.0
261.22177	1.8
272.25842	4.2
278.24808	7.5
336.95633	1.7
351.13721	1.8
383.37668	1.7
488.18094	1.8
502.46115	4.5
514.46161	9.5
516.47589	4.8
532.47235	25.2
543.63306	1.9
694.51886	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	714.551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.05518	6.4
56.05052	3.6
56.05289	0.9
56.09003	0.6
57.07081	3.1
60.04516	1.9
60.05385	0.7
60.38195	0.6
67.05177	1.0
67.05502	12.2
69.03420	1.1
69.07063	8.0
69.80709	3.6
70.06587	1.6
71.08625	1.7
79.05500	9.5
80.05004	1.9
81.05777	1.7
81.07063	11.4
82.06585	7.7
83.08621	3.3
85.02890	1.9
90.26070	0.7
91.05482	8.9
93.07046	9.2
94.06568	18.5
95.04951	1.0
95.06836	0.8
95.07352	9.0
95.08611	7.7
96.08133	4.5
97.10181	1.5
98.21518	0.7
105.07031	4.8
107.08578	4.0
108.08097	2.5
109.10163	2.6
119.08582	5.9
121.10161	5.9
122.09679	2.3
123.11720	0.8
124.94878	0.7
133.10167	3.1
135.11646	2.6
136.11230	1.0
147.11719	1.5
149.13235	1.0
175.17023	0.6
191.17932	0.8
193.19611	0.8
211.70213	0.6
233.22626	3.3
234.22208	1.0
241.00835	0.7
245.22635	4.5
245.68541	0.6
250.25287	6.8
254.24927	1.4
262.25308	100.0
263.25684	2.4
272.25851	5.4
280.26288	6.4
282.17606	0.7
296.81741	0.7
312.25101	0.8
383.65143	0.8
408.89459	0.8
458.09412	0.7
504.47897	5.5
516.40503	1.4
516.47791	23.8
516.55554	1.3
517.48126	1.1
518.49384	3.9
525.27032	0.7
534.48804	16.0
573.48615	1.0
696.54010	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	712.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
53.60799	1.3
55.01867	4.0
55.05514	24.0
57.03437	23.1
57.07055	3.2
61.02921	3.6
65.03941	2.6
67.05507	74.2
68.05811	1.4
68.64623	1.2
69.03410	2.9
69.07072	23.3
70.75362	2.8
71.01343	2.8
71.04990	5.4
77.47038	1.2
79.05495	67.4
81.03423	3.6
81.07059	54.4
83.04979	13.4
83.08615	8.6
85.02914	4.3
85.06508	6.1
91.05483	33.3
92.05785	2.0
93.07046	74.8
95.04974	5.7
95.08605	34.6
95.09184	2.6
97.02875	1.6
97.06535	13.4
97.10159	10.2
99.08120	1.4
100.62370	1.2
105.04489	3.0
105.07033	17.8
107.08601	42.8
109.10155	16.8
111.08091	2.7
117.07021	7.5
119.08573	12.2
121.06542	1.8
121.09338	1.7
121.10149	20.8
123.11703	3.4
125.09609	2.5
131.08543	7.1
133.10130	17.9
134.10437	1.5
135.11693	56.9
137.09627	1.6
137.13274	1.7
143.08549	1.8
145.10130	15.3
147.11714	3.8
149.13243	5.0
151.11142	1.7
153.12764	3.1
159.11719	4.1
161.13252	3.5
163.11197	5.3
163.14822	1.8
173.13283	3.7
179.94609	1.3
181.12247	13.6
184.07379	1.7
199.13289	1.6
203.53989	1.3
243.21117	3.3
253.14388	4.8
254.14874	1.8
255.15921	100.0
256.16321	2.4
261.22128	11.6
317.24664	3.1
335.25800	57.8
336.26230	4.9
337.26273	1.8
423.32477	2.3
514.35175	1.3
515.37317	87.4
516.37213	4.4
533.37860	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	711.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11629	0.7
53.03940	0.8
55.05504	1.5
57.03434	1.7
61.02926	3.8
67.05502	5.8
67.71047	0.7
69.03414	2.8
69.07057	1.1
70.06570	1.0
71.04995	4.0
71.50065	1.0
73.02905	2.2
79.05499	3.1
80.05843	0.7
81.03419	3.4
81.07059	6.5
81.71973	0.8
83.04970	1.4
83.08635	1.0
85.02895	4.0
86.09696	1.2
87.63596	0.6
91.03956	1.7
91.05493	4.7
93.07040	3.7
95.04963	1.7
95.08610	3.3
97.02882	3.5
97.06541	1.0
101.02341	1.0
105.07024	2.9
107.08618	3.9
109.10152	1.8
117.06951	0.7
119.08556	1.0
121.10171	2.0
123.11725	0.8
133.10138	2.7
135.11711	1.6
137.20253	0.6
145.10126	1.4
149.09616	1.2
149.13277	0.8
151.11201	1.5
159.11606	0.7
163.11226	2.5
178.35680	0.6
184.07353	1.9
227.12720	1.0
243.08447	2.5
249.11053	6.8
267.15912	1.3
305.13733	1.2
467.18951	5.5
485.23615	8.2
679.32947	1.5
711.35590	100.0
712.35461	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	712.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.89526	1.9
55.01863	1.7
55.05505	8.3
57.03434	9.2
58.05883	1.8
60.08152	2.1
60.67935	1.7
61.02913	1.9
67.05505	49.7
69.03409	4.7
69.07065	6.7
70.06577	5.2
71.02849	1.7
71.04996	15.0
77.00816	1.8
79.05487	18.4
81.03418	37.4
81.07061	20.2
83.04977	6.7
83.08632	10.4
84.08147	4.3
85.02924	4.6
86.09701	15.4
91.05485	24.1
93.07030	18.8
93.07489	1.8
95.04979	18.4
95.08630	11.4
97.02908	3.7
97.06527	6.2
97.10164	3.9
103.05457	2.1
103.35668	2.0
105.07037	13.1
107.04964	10.5
107.08584	14.7
109.02942	2.3
109.06511	16.4
109.09473	3.5
109.10161	38.2
111.04455	2.7
111.08086	4.8
117.07039	6.4
119.08585	15.3
121.06489	9.1
121.10142	7.7
123.08064	5.4
123.70075	1.9
125.00014	12.9
125.09608	5.0
127.03896	1.8
129.07013	7.7
131.08574	7.3
133.10147	8.1
135.08075	6.8
135.11693	12.0
136.07578	1.9
137.06038	4.2
137.09596	5.6
143.08589	2.4
145.06479	2.6
145.10188	4.5
146.46542	1.8
146.63551	1.8
147.04399	2.0
147.08009	3.9
147.11694	7.2
149.09639	3.5
155.08629	3.6
155.10690	2.1
157.10150	4.2
159.11658	2.2
163.03854	2.4
163.11189	5.4
169.10118	2.2
173.11739	7.6
173.13264	3.1
175.03905	2.7
175.11246	5.7
177.05458	4.1
184.07349	47.3
185.13382	2.5
187.11386	1.8
187.13142	2.3
191.14355	2.9
193.12277	7.3
207.06467	4.1
211.13293	3.3
219.13806	18.6
227.12784	4.4
229.14313	17.2
255.15912	3.4
258.71555	2.0
267.15915	16.7
273.17105	3.5
287.18521	5.6
293.17484	9.9
329.21039	3.6
355.22614	3.5
403.24918	4.4
421.25821	18.6
429.26459	6.7
447.27457	100.0
448.28046	3.6
465.28470	20.8
479.29999	5.5
497.31018	3.2
573.31482	2.3
635.21643	2.1
712.31512	14.7
713.33405	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	710.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01870	1.1
55.05509	9.5
57.03437	10.8
57.07087	1.2
61.02926	1.1
65.03948	2.0
67.05505	57.2
68.05833	1.2
69.07069	9.3
71.04993	2.1
79.05494	27.8
81.03419	1.4
81.07057	34.4
83.04985	2.8
83.08602	3.4
85.02879	1.5
91.05482	87.0
92.05833	1.1
93.07040	25.8
95.04973	3.7
95.08605	28.8
96.08947	1.0
97.02818	1.0
97.06506	2.2
97.10162	1.2
105.04536	1.0
105.07031	37.1
107.08592	14.3
109.10166	12.6
117.07034	4.9
119.08585	9.5
121.10140	9.2
123.11703	4.6
128.06239	3.5
129.07039	1.2
131.08603	8.7
133.10132	90.3
134.10492	1.5
135.11691	8.9
136.24280	0.9
137.13297	1.2
142.19629	0.8
143.08548	5.8
145.10144	4.0
147.11667	3.0
149.13251	3.2
151.11150	5.1
159.11755	3.6
161.09619	11.9
161.13280	2.6
173.13327	2.5
175.14865	1.1
179.10733	2.1
197.11736	2.9
233.10855	1.0
243.21150	2.1
251.12920	1.9
253.14359	52.2
254.14636	0.9
259.20398	1.5
261.22119	8.4
261.65540	1.0
280.86319	1.1
317.24741	1.8
335.25800	100.0
336.26080	3.5
492.37662	1.7
509.19958	1.0
513.35754	73.0
514.35797	2.8
531.37103	1.8
625.05841	1.0
660.40814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
55.05518	12.8
61.02918	5.1
65.03945	3.7
67.05506	100.0
69.03411	3.8
69.07055	15.2
71.04997	70.1
79.05499	28.5
81.03405	7.5
81.07059	77.5
83.04971	8.7
83.08624	8.9
84.93964	2.7
85.02876	4.5
85.06533	10.4
86.09666	3.6
91.05484	41.0
93.07045	34.5
93.96957	2.4
95.04965	5.0
95.08590	14.7
97.02897	5.1
97.06535	8.3
99.08143	2.6
105.07048	14.8
107.08598	18.6
109.06463	3.8
109.10155	59.9
117.07043	6.2
119.08559	11.9
121.10152	13.6
123.11705	16.0
131.08551	5.8
133.10146	20.4
135.11703	19.8
137.09628	17.7
145.10117	7.0
149.13223	6.0
151.11201	8.8
155.10645	3.3
159.11693	4.5
169.12283	4.1
173.11757	8.1
183.13840	4.1
184.07356	6.2
187.13286	4.1
195.13835	4.4
255.15782	3.6
274.30820	2.9
287.18478	20.2
301.20074	10.4
401.08029	2.9
411.27390	10.1
423.27258	4.7
437.28955	12.0
449.28653	13.9
455.30038	92.6
460.73706	2.7
463.30582	3.4
469.31766	15.6
481.31650	70.4
513.34253	72.6
574.61865	3.0
634.36572	2.9
710.38147	15.4
711.34955	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	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
55.05313	1.5
55.05514	17.9
57.03438	18.5
59.05004	1.6
60.08132	2.5
61.02921	2.4
63.63958	1.7
65.03939	2.6
66.62486	1.7
67.05508	39.6
69.03436	8.7
69.07067	8.9
69.52294	11.9
70.06580	4.6
71.01343	1.7
71.04987	3.7
71.07365	2.0
73.02925	2.5
79.05499	29.7
81.03419	100.0
81.07061	32.7
83.04974	15.4
83.08622	27.8
84.08160	4.1
85.02912	15.5
85.06533	2.9
86.09705	16.1
87.84476	1.5
91.05483	70.4
93.07039	22.1
95.04964	38.2
95.08607	13.4
97.02887	5.3
97.06529	5.3
97.10168	8.9
99.08077	2.2
103.05476	2.3
105.07038	43.4
107.04969	11.1
107.08595	18.0
109.02869	3.0
109.06520	8.1
109.10148	8.0
111.04430	5.5
111.08083	10.9
113.05972	3.5
115.05463	2.0
117.07035	7.0
119.05033	2.4
119.08581	35.3
120.08109	2.8
121.06512	6.3
121.10164	13.7
123.04372	2.4
123.08109	4.2
123.11699	3.5
124.40825	1.7
125.00012	7.1
125.09654	5.4
128.06209	2.5
129.07019	13.1
131.04996	1.9
131.08575	20.0
133.06534	4.0
133.10132	59.4
135.08089	2.8
135.11678	4.5
136.12044	1.8
137.05989	3.2
137.09613	2.8
143.08551	4.4
145.10149	5.9
147.04466	2.7
147.08055	6.2
147.11684	16.4
149.09628	8.8
151.11198	11.9
154.08640	3.4
157.10098	15.8
159.08139	2.5
161.09654	15.8
163.11177	5.6
165.12743	2.8
167.07072	2.0
175.11157	17.5
177.05518	2.7
179.10756	8.5
183.11650	2.0
184.07352	34.3
185.13362	2.3
187.11232	2.3
189.11218	2.9
193.12247	35.8
197.11700	2.3
205.12184	2.9
207.06555	4.6
211.13269	21.8
223.13380	2.1
227.12825	5.3
249.15012	2.3
253.14349	15.2
267.15927	84.7
268.16284	3.6
271.12784	2.8
271.15427	31.4
273.14957	2.4
285.16940	21.5
294.02112	1.8
299.14917	3.3
315.17764	2.9
349.21869	2.4
353.21176	6.0
367.22678	6.7
385.23651	13.6
403.24872	5.9
427.24637	4.2
441.26245	2.8
445.25858	66.9
445.32043	3.3
459.27435	56.6
463.26898	40.6
477.28516	93.2
495.29077	5.4
513.26398	4.0
585.69928	2.1
660.35443	2.4
711.31885	6.2
735.64685	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
55.01880	3.7
55.05510	22.6
57.03430	9.7
59.05001	2.2
60.30017	2.2
60.39129	2.2
65.03938	3.6
67.05507	100.0
69.03447	11.1
69.07059	9.5
69.15681	11.8
69.16109	13.3
71.04992	22.6
71.59886	2.4
74.31213	2.1
77.15760	2.8
79.05499	38.9
81.03433	18.8
81.07065	53.9
83.04980	17.6
83.08620	8.0
85.02937	2.4
85.06562	5.1
91.05479	34.4
93.07044	46.6
95.04958	9.2
95.08606	35.5
97.02915	4.8
97.06538	5.6
97.10194	3.3
99.04420	3.4
105.07031	22.3
107.08598	25.2
109.06560	3.2
109.10164	54.1
111.04462	2.4
113.90392	2.3
117.06996	9.0
119.08569	18.1
119.09966	2.4
121.10165	15.5
123.08082	3.6
123.11707	2.9
125.00012	2.4
125.09665	2.1
128.55734	2.5
129.05469	7.4
131.08528	11.4
133.10172	14.7
135.08052	3.1
135.11679	19.1
137.09608	10.4
141.06900	2.2
143.08607	6.5
145.10150	11.7
147.11699	5.0
149.13232	4.3
151.11153	2.5
155.10616	5.3
159.08011	2.4
159.11691	5.8
161.13303	3.1
163.11127	7.5
165.12825	2.6
171.11761	3.9
173.04463	6.3
173.11740	9.5
173.13141	4.1
179.10660	2.8
181.12238	5.1
184.07332	7.9
211.13297	5.7
229.14346	4.2
244.78125	2.6
255.15962	9.0
261.22208	5.7
285.16861	3.5
301.21570	3.5
335.25888	27.5
369.24307	3.5
384.80615	2.3
431.22919	4.0
489.35840	39.4
491.37408	12.9
503.37103	3.5
513.35791	5.1
515.36987	12.8
547.40118	22.6
659.41418	8.7
691.43799	10.2
709.49377	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21798	1.6
52.10593	1.8
52.41409	1.6
53.03936	5.6
55.01876	3.0
55.05515	20.6
57.03188	1.5
57.03426	11.0
57.07072	3.2
59.04996	4.4
65.03943	4.4
67.05508	100.0
69.03423	10.7
69.07071	15.1
71.04987	18.1
78.00880	1.9
79.05080	2.9
79.05502	40.7
79.05959	1.3
81.03418	22.2
81.07058	53.2
83.04990	20.1
83.08623	10.7
85.02891	4.7
85.06551	4.9
86.09714	5.0
87.04479	3.3
91.05487	32.2
93.07047	49.8
95.04962	5.6
95.08608	35.9
97.02904	8.7
97.06538	5.7
97.10183	2.1
98.21623	3.6
105.04563	2.9
105.07036	17.0
107.04950	2.9
107.08601	23.3
109.02869	4.1
109.06535	3.0
109.10168	50.2
111.04436	3.1
111.08057	3.5
117.07008	9.4
119.08597	22.6
121.10154	20.8
123.04414	2.6
123.08105	2.3
123.11713	5.7
125.00004	4.1
125.09670	2.3
127.03931	3.2
128.48051	1.9
129.05490	7.0
129.07004	3.0
131.08568	10.5
133.10133	15.9
135.11707	16.5
137.09630	9.1
137.13252	2.4
143.08559	4.1
145.10135	9.5
147.11702	8.2
149.09729	1.8
149.13263	6.0
155.10753	3.5
157.10114	2.7
159.11700	8.3
161.09697	2.1
161.13229	3.5
163.11159	8.0
168.17348	1.8
169.12196	1.9
171.07979	2.2
171.11664	3.6
173.04408	8.9
173.11761	12.2
173.13115	3.1
175.14830	3.4
179.10736	4.0
181.12241	2.7
184.07350	17.3
185.13196	2.5
187.13321	5.0
187.14848	2.9
197.13309	2.1
211.13239	3.7
213.14783	3.2
229.14413	7.1
229.66214	2.3
243.15955	4.9
255.15910	7.0
259.20734	2.1
261.22159	4.9
263.23642	1.9
277.21335	2.3
287.18488	3.1
325.16412	2.2
335.25842	29.6
369.24091	3.3
387.25232	2.6
399.20203	4.8
431.22690	7.1
487.33978	2.1
489.35776	47.6
491.37305	17.1
503.37207	2.6
515.37372	8.6
545.36877	2.3
546.38171	2.5
547.39966	28.8
633.86835	1.9
659.41418	5.4
671.26550	2.0
677.41901	2.4
691.44501	10.5
709.40991	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	709.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01865	0.3
55.05506	1.0
57.03428	0.9
61.02930	2.9
67.05508	4.1
69.03436	2.1
69.07064	0.8
71.04995	3.1
73.02913	2.6
79.05496	3.3
81.03402	1.5
81.07053	4.9
83.04967	0.8
83.08593	0.7
85.02917	3.6
85.06573	0.3
87.04503	0.4
91.03946	1.9
91.05482	4.4
93.07044	3.7
95.04968	1.1
95.08617	1.2
97.02894	2.9
97.06534	0.3
99.04449	0.9
101.02383	1.7
101.42396	0.3
103.03941	0.5
105.07014	2.0
107.04934	0.5
107.08591	1.7
109.06506	0.3
109.10158	0.6
109.45878	0.3
115.62592	0.3
117.07015	0.7
119.08603	1.1
121.10149	0.5
123.08092	0.5
123.11706	0.7
127.03925	1.1
129.07007	0.6
131.08549	0.6
133.10100	1.6
135.11693	0.4
143.08505	0.3
145.10123	0.5
147.11757	1.5
149.13295	0.7
151.11200	0.9
159.11693	0.9
161.09747	0.4
161.13297	0.7
166.50066	0.3
171.11699	0.5
183.13864	0.5
184.85765	0.3
185.04327	0.6
200.23158	0.3
203.05336	0.4
243.08380	2.0
247.13110	0.9
257.17557	0.4
267.15799	1.3
465.20999	6.3
466.21597	0.4
485.23587	6.7
547.32611	0.3
709.37683	100.0
710.38092	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	709.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02023	0.6
53.03936	1.1
53.53975	0.6
54.06139	0.5
55.01859	0.9
55.05500	2.2
57.03426	1.5
57.72276	0.5
61.02917	3.9
67.05509	6.4
69.03415	2.3
69.07053	1.2
70.06479	0.7
70.06792	1.0
71.04988	1.7
72.08157	0.5
73.02904	2.1
75.57906	0.5
79.05494	4.4
81.03427	3.1
81.07057	4.9
82.07369	0.7
82.85262	0.5
83.04976	1.8
83.08621	3.1
84.08132	0.8
84.99292	0.5
85.02908	3.5
86.09698	1.6
91.03965	2.2
91.05484	4.9
93.07034	5.3
93.36351	0.5
95.04974	2.9
95.08601	3.9
97.02904	4.3
97.06503	0.7
99.00803	1.4
99.04485	1.3
100.59698	0.6
105.07018	3.7
107.04938	1.3
107.08582	3.5
109.02864	1.5
109.06561	1.1
109.10137	2.2
111.08081	0.9
117.07033	1.2
119.08585	3.1
121.06527	1.2
121.10125	1.9
123.11700	0.7
124.99969	0.6
127.03928	1.7
129.07005	0.8
131.08542	1.1
133.10132	4.9
135.11678	4.3
136.12088	0.7
137.06026	0.7
143.08588	0.9
145.10104	2.7
147.04405	1.1
147.11633	0.7
149.09682	0.7
151.11201	1.4
161.09605	2.1
161.84952	0.5
163.11186	4.4
167.07045	0.5
175.03900	1.0
175.11197	0.9
177.05461	0.9
179.10750	0.6
181.12285	0.8
184.07329	3.3
189.09178	1.3
193.12224	0.9
199.87842	0.6
203.05174	0.7
207.06520	1.3
207.10265	0.6
211.13318	0.6
225.11134	0.9
227.12842	2.8
228.45404	0.6
243.08499	1.1
243.15929	0.5
249.11040	5.5
265.10464	1.0
267.15973	1.1
268.16394	1.0
281.13733	0.6
283.15436	0.9
284.15793	1.1
285.16916	0.7
305.13663	1.5
310.05228	0.5
401.01254	0.6
436.27994	1.0
448.27499	0.6
454.25040	1.0
462.29703	1.3
467.18890	5.9
480.26730	1.5
483.18378	8.7
494.28186	2.4
512.29401	1.7
547.25787	0.9
709.30341	100.0
710.30994	4.4
739.48358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43212	2.3
53.03949	2.7
55.01863	6.1
55.05500	8.7
65.03948	13.7
67.05506	33.6
69.03433	31.4
69.46479	19.2
70.06596	3.5
71.01337	5.9
74.89215	2.8
83.04992	58.2
85.02908	20.4
87.00833	3.2
93.03413	28.5
95.04976	32.7
97.02908	2.9
98.20744	5.4
99.00214	4.4
99.00829	64.0
109.02857	3.0
111.04449	87.2
117.01878	12.8
121.02907	14.3
123.04417	22.1
129.05482	43.3
135.04399	11.1
139.03903	40.1
144.08067	20.3
145.02876	3.8
147.04369	5.7
147.06496	7.1
157.04976	29.2
163.03931	26.3
165.63815	2.6
166.82491	2.5
175.06065	14.7
203.03429	5.5
205.06543	16.5
209.04402	4.0
223.07559	12.7
227.05420	15.6
233.06062	13.9
245.06313	3.8
251.07117	25.6
255.06566	3.7
261.05548	5.9
269.05304	2.5
269.07962	14.0
273.06070	100.0
274.06387	4.0
279.06555	45.8
283.05930	8.0
297.07602	50.5
307.06000	15.9
325.07068	38.8
343.08179	9.3
401.10550	5.7
429.10101	7.6
447.11450	41.5
499.12521	18.2
517.13153	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	709.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.4
53.03937	2.9
55.01866	4.1
55.05506	6.6
58.45638	1.1
65.03942	12.7
67.05506	29.3
68.99794	2.5
69.03432	19.8
69.45849	1.1
70.06607	1.6
70.10010	2.4
70.10369	2.9
71.01345	3.1
76.25904	1.1
83.04980	63.4
85.02906	14.2
87.00819	2.0
89.03928	1.3
93.03408	25.1
95.04968	40.8
95.05576	2.2
97.02891	3.2
99.00818	33.2
101.02370	1.8
105.04557	1.3
107.05008	2.6
109.02867	1.2
111.04443	83.8
115.03927	1.7
117.01880	5.6
117.03383	2.7
121.02862	14.8
123.04424	10.4
129.04515	1.8
129.05476	35.0
135.04398	12.3
137.02325	2.9
139.03900	39.6
145.02859	4.9
147.04402	2.8
147.06552	3.3
152.06160	1.3
153.06969	2.3
157.04959	30.8
163.03902	35.4
167.08560	1.4
175.06013	8.7
177.06992	2.3
181.06493	4.3
187.03979	1.4
189.05449	1.6
195.08015	2.5
199.07552	2.0
203.03387	2.1
205.06499	12.4
209.04378	2.5
223.07555	13.9
227.05283	5.4
233.05984	12.7
235.07448	1.2
237.05331	1.2
245.06389	2.0
251.07053	29.1
255.06561	3.8
261.05603	5.4
263.07062	2.0
269.08072	16.0
273.06058	33.9
279.06516	42.2
283.05954	3.3
295.46750	1.2
296.06476	1.8
297.07574	29.4
307.06024	11.5
314.45508	1.2
323.04947	1.1
325.03506	2.0
325.07083	28.0
343.07986	2.6
346.42917	1.3
401.10849	5.2
429.10312	11.2
447.11337	100.0
448.11993	1.6
499.12314	12.4
517.13861	1.7
697.08215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98250	0.4
53.47981	0.5
65.03931	0.8
67.05490	1.6
69.03415	1.4
70.73795	1.0
70.74130	0.7
79.05470	0.8
83.04980	3.7
85.02892	1.2
89.03924	6.9
91.04441	0.5
93.03370	0.8
94.26479	0.5
95.04951	2.2
99.00810	1.8
107.04956	2.2
111.04438	5.0
117.03397	8.7
121.02864	0.8
123.04440	1.1
129.05458	2.0
135.04411	16.7
137.02365	0.6
139.03871	2.1
145.01785	0.8
145.02852	12.0
145.03880	0.6
157.04990	1.7
163.03908	100.0
164.04305	0.8
175.06012	0.7
205.06602	0.5
233.06116	0.9
251.07072	0.8
269.08176	0.8
273.06067	2.0
279.06577	2.6
297.07541	1.6
307.06061	1.2
319.08084	0.9
325.07022	2.2
337.09268	1.4
447.11377	5.7
463.63519	0.5
499.12289	2.0
547.49396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15657	0.9
51.14067	1.2
53.03935	3.0
55.01872	1.6
55.05516	8.5
57.03434	14.0
61.02915	1.0
65.03924	1.6
67.05508	30.3
69.03426	1.7
69.07076	9.5
69.70000	4.2
69.70415	2.3
71.04981	3.9
78.86878	1.0
79.05493	20.4
81.03420	50.8
81.06605	2.1
81.07059	42.9
83.04510	1.1
83.04970	6.9
83.08623	15.1
85.02885	3.5
85.06540	1.5
86.09690	1.0
88.76208	1.0
91.05486	17.8
93.07043	30.2
95.04971	18.1
95.08616	10.0
97.02872	1.4
97.06530	5.5
97.10152	2.5
99.08048	1.3
105.04549	1.2
105.07037	11.6
107.04956	2.4
107.08601	16.4
109.06505	3.3
109.10126	3.4
111.04455	1.5
111.08102	6.2
117.07002	3.5
119.08579	7.8
121.06501	1.9
121.10129	11.1
123.08009	1.3
123.11726	3.6
125.09660	2.0
129.07028	7.0
131.08595	8.0
133.06593	1.5
133.10109	6.4
135.08011	1.9
135.11694	4.2
142.07767	1.8
145.02789	1.2
147.08057	2.2
147.11676	7.1
149.09601	3.6
149.13261	13.5
151.11186	1.1
157.10133	6.6
159.11671	5.7
165.12775	2.1
175.11191	7.4
177.12714	3.4
184.07280	1.8
193.12256	13.9
194.87369	1.2
195.13797	4.4
211.13286	3.8
211.92072	1.1
213.14664	1.2
267.15918	48.0
269.17487	51.1
285.16983	2.4
365.62415	1.3
392.24011	1.3
417.26355	1.4
435.27100	5.3
443.28085	1.4
453.28531	5.9
461.28992	100.0
462.29144	4.8
467.29913	1.6
479.30020	5.7
493.25931	2.2
503.30063	1.2
511.32864	6.9
518.43579	1.0
708.32281	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	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.3
53.03949	13.2
55.01870	7.2
55.04613	1.6
55.05268	3.3
55.05513	34.5
57.03440	15.5
57.07076	4.2
60.08159	7.9
65.03935	3.9
67.05505	64.3
69.03434	19.9
69.07070	16.4
70.60259	1.9
71.01340	1.8
71.04991	7.9
71.07363	4.1
71.08636	3.0
79.05494	49.2
81.03419	90.0
81.07056	69.6
83.04987	48.5
83.08607	24.4
85.02908	14.1
85.06549	3.8
86.09704	31.0
87.04471	5.4
87.10041	4.3
91.05488	43.5
93.07050	52.7
95.01350	2.3
95.04969	23.8
95.08614	44.1
97.02895	21.9
97.06535	7.7
97.10173	7.2
98.20709	4.0
98.98483	3.9
99.04459	6.1
99.08079	2.9
104.10735	2.0
105.07035	29.2
107.04946	7.2
107.08591	29.8
109.02865	10.3
109.06522	6.3
109.10169	24.3
111.04445	24.7
111.08086	10.8
115.05444	2.8
117.07024	11.5
119.08588	30.3
119.46343	1.7
121.06498	2.9
121.10152	22.0
123.08074	2.9
123.11720	7.0
125.00014	27.5
125.09628	4.6
127.03947	9.2
128.06226	2.5
129.05489	10.5
129.06978	10.8
131.08582	21.0
133.06500	3.3
133.10132	15.2
135.08066	2.6
135.11684	13.1
137.09592	3.5
137.13365	1.8
142.07790	3.1
143.08571	4.8
145.10129	15.9
147.08098	3.5
147.11696	19.1
149.05959	2.2
149.09615	8.4
149.13281	6.6
153.12750	4.4
155.08600	2.5
157.10103	15.1
159.11702	6.7
161.09584	2.4
161.13266	6.5
161.74812	2.0
163.11191	10.1
163.14821	3.5
165.12738	5.0
167.07118	1.9
167.08533	2.0
169.10069	3.7
171.11714	4.4
173.09592	3.2
173.13240	5.3
175.11201	9.8
175.14792	3.2
181.10506	1.8
181.12248	7.1
183.11658	3.1
184.07347	100.0
185.07726	13.6
185.13229	4.0
187.11160	2.4
187.14854	3.0
189.11171	2.4
189.12733	3.5
191.10704	9.5
193.12244	39.6
199.14926	3.1
211.13274	61.2
227.12776	15.5
229.14359	6.1
243.21143	3.7
259.20673	2.5
261.22095	10.9
263.23801	2.0
267.15955	11.1
283.15341	9.4
285.16968	16.6
301.21591	2.2
317.24792	3.4
335.25867	34.8
337.27478	10.3
351.22958	2.4
355.17487	4.8
363.25571	2.4
369.24359	6.6
387.25125	2.1
427.19653	2.8
429.21158	6.6
435.32697	3.4
461.29233	3.1
474.43484	1.8
484.13312	1.9
527.37775	9.8
545.38361	30.4
546.38831	2.6
601.35303	1.8
641.40118	2.1
653.39832	3.8
671.41809	2.8
689.42969	13.3
707.45795	18.2
730.45856	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	4.0
51.02971	3.5
53.03937	15.6
55.01872	7.0
55.05513	33.4
57.03434	30.1
61.02934	4.0
65.03931	6.2
67.05505	85.8
68.67603	3.2
69.03437	41.8
69.07078	23.6
69.45996	24.9
71.04980	15.2
72.98564	3.8
73.02916	7.2
77.79282	3.5
79.05495	78.9
80.74486	3.2
81.03417	79.4
81.07058	100.0
81.78207	2.9
83.04980	33.7
83.08603	11.8
85.02898	10.8
85.06567	4.3
91.05480	78.6
93.07048	85.4
93.29399	3.5
95.04956	13.6
95.08614	46.2
97.02888	12.6
97.06532	8.6
97.10158	6.9
99.04465	14.2
103.03936	4.8
103.05510	3.4
105.07024	60.3
107.04971	5.9
107.08601	37.9
109.02872	9.1
109.06530	7.1
109.10166	21.7
111.04456	9.6
117.07045	16.5
119.08593	44.9
120.08994	3.5
121.09331	5.1
121.10143	59.3
123.11700	11.4
127.03914	18.9
128.06184	5.6
129.05504	29.0
129.07007	23.3
131.08571	47.1
133.10127	40.5
135.11703	21.3
137.13229	4.0
142.07771	4.8
143.08554	7.8
145.10127	25.8
147.08000	6.4
147.11685	37.2
149.09619	47.4
149.13275	8.5
155.08594	5.8
157.10153	23.7
159.11702	11.1
161.13280	6.3
161.48152	3.6
163.11214	12.7
165.12761	13.5
167.10823	4.2
169.10143	6.8
171.11694	7.9
173.04466	62.6
173.09669	5.2
173.13184	6.8
175.05998	16.1
175.11244	28.9
183.11679	5.3
184.07343	13.0
191.10628	8.0
193.12259	21.3
195.11679	6.0
211.13235	4.6
223.13263	5.7
249.14862	5.3
261.22144	6.8
267.15915	21.3
285.17010	4.8
335.25839	94.3
369.24359	5.0
411.20206	14.9
417.31778	5.5
435.32507	5.7
527.37323	52.3
542.23645	3.3
545.38293	34.9
635.39990	4.8
671.40979	10.3
689.41992	12.0
707.42603	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	707.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18540	0.5
53.03937	0.7
55.01867	1.0
55.05518	3.9
57.03431	2.3
61.02927	5.5
67.05508	9.0
67.96683	0.5
69.00460	0.4
69.03441	3.2
69.07077	2.5
71.01353	0.7
71.05010	1.0
71.23211	0.9
73.02918	3.6
79.05492	6.5
80.08582	0.5
81.03430	3.8
81.07063	8.7
83.04971	1.3
83.08612	2.9
85.02916	5.1
86.09748	1.0
87.04478	0.7
91.03983	2.7
91.05499	5.9
93.07059	6.9
95.04991	1.4
95.08627	4.6
97.02895	3.9
97.06551	1.0
97.10184	3.1
99.04459	1.1
101.02406	1.2
105.07039	4.9
107.04945	0.6
107.08599	4.1
109.02903	1.4
109.06516	0.6
109.10152	2.3
111.04420	0.7
111.08054	0.6
117.07043	1.4
119.08588	3.4
121.06510	0.6
121.10146	3.2
123.11688	0.8
125.00047	0.6
125.09656	4.0
127.03962	1.4
129.05478	0.7
129.07014	1.1
131.08592	3.3
133.10114	2.5
135.11719	2.0
143.08568	1.4
145.10159	1.9
147.11716	2.3
149.09666	1.1
149.13283	0.6
151.11273	0.7
157.10172	1.9
159.11726	1.5
161.13248	0.8
163.11282	0.8
165.12852	0.5
171.10239	0.5
171.11716	0.7
171.15942	0.6
173.13313	0.9
175.11331	0.7
175.14874	0.6
183.11664	0.5
184.07361	3.8
185.04202	1.2
189.11205	2.3
193.12340	1.1
197.13223	0.6
203.05225	0.6
211.09462	1.1
211.13289	1.1
225.70227	0.5
229.09172	0.6
243.08440	1.8
261.22232	0.7
267.15936	0.9
316.49545	0.6
335.25858	1.8
363.25620	1.0
411.35327	0.7
417.80905	0.6
429.17218	8.2
435.32779	1.0
519.29352	3.7
527.37610	3.5
537.30414	0.6
545.38782	3.7
689.41986	0.8
707.39777	100.0
708.40015	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	707.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41115	0.6
53.03936	2.5
55.01847	0.9
55.05302	0.7
55.05514	6.7
57.03448	5.3
57.07076	0.8
61.02924	6.9
67.05505	15.8
69.03432	8.4
69.07071	3.9
71.01366	0.8
71.04978	1.8
73.02917	5.1
73.16049	0.7
79.05494	14.1
81.03419	8.1
81.07058	17.5
83.04996	4.1
83.08624	2.5
85.02898	6.8
85.06548	1.1
86.09705	3.1
86.85321	0.6
87.04472	0.9
87.10018	0.8
91.03962	3.5
91.05482	9.4
93.07047	13.7
95.04987	1.7
95.08606	10.1
97.02895	7.5
97.06529	1.9
97.10168	2.8
99.04460	1.5
101.02379	2.1
103.03934	1.0
105.07027	9.4
107.04937	1.0
107.08593	6.3
109.02892	2.1
109.06526	1.4
109.10143	3.6
109.58549	0.7
111.08028	0.6
115.05468	0.7
117.07034	3.0
119.08584	6.0
121.06551	1.1
121.10147	9.3
123.08059	1.2
123.11733	1.6
125.00016	2.3
125.09643	2.3
127.03935	2.8
128.06236	0.7
129.05504	1.7
129.06995	1.8
131.08569	6.6
133.10136	5.3
135.08070	0.8
135.11687	2.7
141.06978	0.8
143.08580	1.4
145.10149	3.0
147.11703	6.3
149.09621	5.3
149.13272	1.3
155.08563	0.9
157.10141	2.9
159.11717	1.9
161.09645	1.3
161.13243	1.0
163.11211	1.8
165.12715	1.6
171.11678	1.0
173.04475	3.3
173.09624	0.8
173.13298	1.4
175.11203	3.3
182.86327	0.7
183.11604	0.9
184.07375	8.8
185.04288	1.0
185.07837	0.7
185.13362	0.9
189.11234	0.9
191.10709	0.7
193.12280	2.0
203.05345	0.8
211.09477	1.9
243.08488	0.8
259.20819	0.7
261.22113	1.2
267.15933	2.2
278.76581	0.7
285.16867	1.0
335.25787	4.8
411.20432	0.9
429.17090	4.8
461.30032	0.8
519.29297	8.7
527.37457	4.3
532.28076	0.7
545.38660	3.4
671.41669	2.1
689.42511	1.0
707.39764	100.0
708.40216	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	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20451	0.2
53.03947	0.4
55.05499	0.6
56.05029	0.6
57.07081	1.3
58.06614	0.4
60.08165	6.8
60.09513	0.2
60.95595	0.2
63.56598	0.2
67.05499	2.0
67.42876	0.2
69.03420	0.3
69.07061	0.7
69.52847	0.2
71.07381	3.4
71.08613	0.3
71.50280	0.4
71.50637	0.2
73.23070	0.2
78.45800	0.2
78.81426	0.3
79.05497	1.4
79.26163	0.2
81.03439	1.4
81.07063	1.9
83.04965	0.3
83.08607	0.4
86.09706	31.6
87.04470	6.2
89.06029	0.3
91.05482	1.7
93.07046	1.9
95.04962	0.6
95.08607	1.1
97.06548	0.3
97.10217	0.3
98.98460	3.3
104.10764	2.8
105.07015	0.9
107.04956	0.3
107.08606	1.1
109.10161	0.7
111.03560	0.2
117.06995	0.5
119.08593	1.0
121.06549	0.3
121.10134	0.6
125.00008	21.4
129.07031	0.3
131.08565	0.6
133.10152	0.8
135.08040	0.3
135.11694	0.2
147.07977	0.3
147.11671	0.4
157.10095	0.3
159.11742	0.5
184.07344	100.0
185.07724	0.6
219.12250	0.3
233.19186	0.3
239.50993	0.3
267.16022	0.3
277.21631	0.4
335.25787	0.6
495.29053	0.3
544.36920	0.3
545.38477	0.3
688.41949	0.3
706.46643	10.2
707.46680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.8
57.03420	0.2
57.07060	0.7
57.07310	0.2
58.06623	0.5
59.05014	0.2
59.07389	0.2
60.08164	7.1
60.59827	0.2
61.37642	0.2
67.05498	0.4
71.04983	0.2
71.07372	3.9
71.08615	0.3
75.74242	0.2
79.05460	0.3
80.97427	0.2
81.03422	0.2
81.07053	0.6
82.26739	0.2
83.08618	0.2
85.10150	0.2
86.09706	33.3
87.04469	1.5
87.10049	0.3
91.05480	0.5
93.07054	0.3
95.08613	0.4
98.21526	0.5
98.98464	4.1
104.01189	0.2
104.10745	2.4
105.07047	0.2
107.08566	0.2
119.08588	0.3
121.06531	0.1
125.00007	22.7
129.06963	0.2
184.07341	100.0
185.07712	1.1
186.07799	0.2
191.10625	0.2
201.63841	0.2
209.11740	0.2
223.19609	0.2
232.90346	0.2
237.11275	0.5
293.17545	0.2
365.02005	0.2
440.20682	0.2
496.34848	0.2
644.84674	0.2
706.46509	7.5
707.47797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.0
55.05315	0.8
55.05515	9.1
57.03440	9.8
57.07058	1.3
61.02914	3.0
65.03922	3.0
67.05504	41.3
69.03416	3.7
69.07069	8.9
70.06573	2.1
70.32989	3.2
71.04994	19.1
71.80614	0.9
73.02901	2.1
75.76678	1.0
76.02222	2.5
79.05489	26.0
81.03419	12.8
81.07054	53.0
83.04978	5.8
83.08619	11.2
85.02896	2.7
85.06545	5.2
86.09668	1.5
91.05480	30.9
93.07041	34.6
95.04966	8.3
95.08603	27.7
97.02908	5.4
97.06538	5.8
97.10148	3.7
98.64130	0.9
99.04435	3.5
99.08095	1.9
105.07033	19.9
107.04946	8.3
107.08589	26.5
109.06505	4.2
109.10155	9.9
110.03410	1.0
111.04453	1.3
111.08073	3.5
113.05965	1.3
116.01750	1.2
117.07018	9.9
119.08584	12.4
121.06487	5.5
121.10149	14.4
123.04431	1.1
123.08044	1.2
123.11678	6.1
125.05997	2.8
125.09605	2.1
127.03892	0.9
128.06163	1.2
129.07004	1.7
130.07860	1.5
130.27406	0.9
131.08574	7.0
133.10124	25.9
135.08029	3.1
135.11690	39.5
137.09586	1.3
143.08560	2.5
145.10117	20.9
147.11639	2.9
149.09673	2.0
149.13225	5.5
151.11165	4.9
157.10120	3.0
159.11684	3.9
161.09601	3.1
161.13348	1.1
162.02303	1.1
163.11176	49.8
175.11195	1.6
177.12785	2.2
181.12242	8.9
183.13783	2.5
184.07295	2.2
187.13261	2.3
193.12228	3.4
195.13930	1.5
209.11760	1.1
225.14790	4.9
227.10532	2.2
227.12785	45.1
229.14474	1.7
251.16400	2.7
253.14369	6.8
255.16064	1.5
257.17584	2.0
267.15842	11.2
267.63596	1.1
269.17563	6.0
283.15378	15.1
301.20093	21.3
317.68866	1.2
408.26694	1.0
409.25793	2.8
445.25839	13.3
451.26883	53.8
452.27054	2.3
459.27411	3.3
463.26254	1.5
465.28403	9.3
477.28455	100.0
478.28629	3.0
495.29724	5.0
509.31177	38.1
510.31216	1.7
544.37177	1.7
559.35504	4.3
706.39807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01867	9.7
55.05513	28.3
57.03436	18.0
58.99587	7.3
59.84591	2.9
61.02931	7.4
61.70628	3.0
64.61581	2.7
65.03945	4.2
66.93641	2.9
67.05503	49.5
68.05818	5.7
69.03430	9.1
69.07065	13.9
70.06583	9.5
71.01365	3.0
71.04988	8.7
71.49257	5.6
76.02237	18.7
79.05497	48.8
80.05846	3.7
81.03420	100.0
81.07058	52.3
81.09289	3.1
83.04972	10.4
83.08613	27.9
84.08143	3.5
85.02904	8.3
85.06528	6.3
86.00658	3.3
86.09682	7.3
88.02216	3.2
91.03934	4.3
91.05484	43.8
91.98371	3.3
93.07050	36.3
94.07398	3.7
95.04958	33.1
95.08617	33.9
96.08910	4.0
97.02912	7.9
97.06510	4.1
97.10187	22.8
99.02657	3.4
102.37764	3.2
105.07028	36.3
106.07381	4.1
107.04957	18.6
107.08582	36.0
109.06531	13.4
109.10153	26.9
111.08085	11.8
115.05487	3.2
116.01711	3.9
116.07097	8.6
117.07007	9.5
119.08601	36.4
121.06482	14.7
121.10147	26.4
123.08068	10.2
123.11684	8.2
125.09634	11.6
127.03934	3.6
128.06245	5.9
129.07025	14.7
131.08597	21.2
133.06480	5.6
133.10130	27.4
135.04382	3.2
135.08047	7.4
135.11711	11.5
137.09634	4.9
141.06985	4.5
142.06842	5.2
142.07841	4.0
143.08615	8.2
145.06363	3.9
145.10153	13.7
146.10481	3.9
147.08037	5.7
147.11676	21.3
149.09601	8.8
149.13271	8.3
155.08577	4.9
157.10138	14.7
158.10506	4.4
159.11729	12.3
161.13275	13.6
162.02190	8.9
163.11229	11.1
163.14835	3.9
169.10175	3.2
171.11714	9.8
173.09596	4.2
173.13264	7.3
175.11227	14.2
175.14845	5.0
179.04811	9.0
181.10051	3.3
183.11662	4.8
184.07346	24.3
189.03362	9.8
189.11253	5.7
189.12852	5.5
191.14217	3.8
193.12260	30.8
203.04953	6.6
215.18140	3.3
217.06418	4.4
227.12704	6.7
232.12231	3.0
241.19287	3.2
245.09642	9.5
267.15894	93.8
268.16223	3.3
273.14871	5.8
299.23822	4.2
308.70468	3.4
309.17059	4.1
349.21484	3.5
367.22763	12.8
380.16077	3.1
381.31400	5.1
385.23764	24.3
403.24481	8.3
411.25925	3.6
422.55771	3.2
441.26230	6.0
456.32980	5.8
459.27426	98.5
460.27728	4.8
474.33997	9.6
477.28427	56.9
491.29904	6.7
509.31021	8.0
526.35980	8.4
543.36438	9.0
544.37311	38.0
559.35645	80.6
560.36285	3.3
567.28845	5.8
706.41675	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	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.9
53.03930	3.6
55.01860	4.1
55.05508	16.9
57.03440	9.3
57.07079	1.3
59.05004	2.1
61.02913	3.9
65.03946	1.7
67.05506	28.2
69.03413	4.1
69.07071	7.6
70.06572	1.9
70.83999	2.3
70.84344	2.1
71.01360	1.5
71.04969	3.9
73.02912	1.8
79.05078	1.9
79.05494	27.2
81.03415	30.6
81.07053	24.5
83.04975	11.7
83.08617	15.6
85.02903	12.1
85.06534	3.0
86.09709	1.4
89.06031	1.6
91.05478	27.7
93.06493	1.9
93.07042	30.7
95.04966	15.5
95.08608	20.0
97.02888	6.6
97.06511	7.1
97.10147	3.2
98.07132	1.3
99.00819	10.0
99.04452	2.9
99.08047	1.7
103.05441	2.5
105.07027	19.0
107.04951	18.9
107.08599	15.4
109.02859	6.1
109.06506	4.8
109.10126	5.3
111.04447	6.2
111.08068	6.3
115.03934	2.1
115.05425	2.4
115.39403	1.0
117.03403	1.4
117.07029	9.5
119.04923	2.0
119.08587	21.4
121.06512	6.0
121.10142	14.1
123.08051	2.6
123.11690	1.9
125.05940	1.8
127.03922	1.9
128.06174	1.2
129.06985	7.1
131.08562	8.4
133.06499	2.1
133.10126	25.3
135.08046	2.2
135.10716	1.6
135.11684	24.1
136.82333	1.1
137.05989	1.9
137.09605	1.7
142.07756	2.2
143.08563	3.0
145.06506	1.8
145.10129	20.9
147.04446	1.8
147.08063	2.8
147.11679	7.2
149.09613	5.0
151.11156	6.4
153.12706	3.5
155.08568	2.5
157.10117	7.1
161.09637	11.4
163.09875	2.1
163.11183	31.3
165.12741	2.3
171.08049	2.7
173.09641	6.6
175.11180	8.5
177.05400	3.4
179.10670	5.2
181.12286	7.9
183.11404	1.1
184.07359	2.1
189.09070	5.9
191.10667	5.5
193.12225	17.2
207.06476	2.0
207.10236	1.3
209.11748	2.3
211.13266	23.3
225.11130	8.7
227.12778	28.1
243.12260	1.3
265.14352	35.4
266.14673	1.4
267.15936	17.4
281.13928	5.4
283.15375	31.9
285.16928	26.4
299.14874	44.0
301.13367	1.6
301.16455	17.5
445.25854	2.1
459.27448	2.6
473.25281	2.9
477.28284	3.3
491.26389	34.5
492.26483	1.7
509.27460	100.0
510.27664	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	706.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
64.07248	0.5
65.03933	0.9
67.01868	0.7
68.99788	3.5
69.03436	0.5
70.06588	1.3
71.49457	0.5
78.81056	0.4
79.05489	0.5
83.04976	1.4
95.04964	1.0
97.02940	0.6
107.04932	0.6
109.02894	0.8
111.04446	3.5
119.04930	0.6
123.04436	10.7
125.02395	0.5
127.03911	0.7
129.07016	0.7
131.04951	0.7
133.06523	0.6
135.04417	8.2
137.02403	0.6
139.03905	100.0
140.04141	0.8
141.07066	0.8
144.08057	0.6
145.06512	0.5
147.04437	1.5
149.05998	0.6
151.03912	4.8
153.06995	0.9
157.06425	0.6
159.04459	1.1
161.05969	1.4
163.03911	9.6
165.01799	0.5
169.06480	0.6
173.06024	1.2
175.03934	1.4
177.05522	0.6
179.03403	8.8
181.06517	1.8
185.06004	1.3
186.39102	0.5
187.03885	2.2
189.05469	5.4
197.06004	1.2
199.03917	0.5
199.07504	1.2
201.05531	1.6
203.03380	2.7
209.06015	1.2
210.91013	0.5
211.04121	0.6
213.05423	3.0
215.03404	2.8
215.06926	0.7
217.04980	2.9
227.03329	0.7
227.07034	1.3
229.04994	2.6
231.06673	0.5
237.05504	1.4
241.05017	2.8
245.04459	9.5
255.06564	5.0
257.04419	3.6
259.06000	7.1
269.04404	3.3
270.05154	0.7
271.05920	3.9
273.07684	0.8
281.04471	0.8
283.06006	18.4
287.05505	13.2
291.08710	1.1
295.06058	0.8
299.05521	8.9
301.07101	16.7
302.07422	0.7
303.08670	0.6
311.05505	2.4
411.10764	2.1
421.09180	11.8
432.93820	0.6
433.09128	1.0
439.10257	23.2
440.10416	0.9
451.10416	1.8
555.12634	0.7
591.14954	9.7
706.25104	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	706.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01879	0.7
58.67242	0.3
65.03949	0.9
65.31676	0.4
67.05486	0.4
68.99782	1.7
69.03440	0.5
69.88358	1.1
69.88765	0.8
70.06592	1.0
80.53764	0.4
81.03394	0.4
83.01337	0.5
83.04972	1.1
84.08125	0.7
85.02886	0.4
88.24839	0.3
89.03931	0.4
91.05499	0.7
93.03433	0.6
93.93073	0.4
95.04980	0.9
97.02898	0.9
107.04993	0.8
109.02881	0.4
111.04460	3.5
116.07145	0.4
119.04939	0.8
123.03706	0.3
123.04434	10.5
135.04417	7.9
139.03906	100.0
140.04233	0.8
141.01857	0.5
145.06458	0.5
147.04411	4.0
151.03908	5.0
153.07013	0.9
157.06432	0.4
159.04437	0.9
161.05972	0.7
163.03912	11.5
165.05490	1.4
169.06506	0.7
173.06084	0.5
174.88483	0.4
175.03920	0.7
177.05470	0.5
179.03369	3.7
181.06526	1.5
185.06068	0.9
187.03918	1.1
187.07608	0.5
189.05492	1.1
193.04788	0.4
197.06047	0.6
199.07558	0.5
201.05594	0.8
203.03360	0.7
205.04916	0.5
207.06516	0.7
209.05942	0.5
213.05505	2.1
215.03334	0.4
215.07025	0.4
217.05070	0.5
220.99146	0.5
227.07045	1.2
229.04979	1.7
231.06450	0.4
234.98915	0.9
237.05429	0.8
241.05008	1.7
241.07399	0.4
245.04509	1.8
255.06575	4.4
257.04321	0.8
259.06000	1.2
260.98489	0.4
269.04590	0.8
271.06122	0.6
273.07547	1.2
283.06021	15.1
287.05527	2.1
289.07080	1.1
291.08655	11.6
299.05652	1.7
301.07080	31.3
302.07504	0.7
303.08676	2.0
311.05472	0.9
335.58548	0.4
380.02798	0.9
381.02649	2.3
421.09241	3.3
433.09097	0.6
439.10330	6.4
591.15161	1.8
706.25836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
53.68521	1.7
55.01867	6.3
55.05510	20.0
57.03438	9.9
57.07064	3.7
61.02648	2.4
61.02925	26.7
63.31912	1.4
65.03932	5.0
67.05507	54.0
69.03433	17.6
69.06789	1.4
69.07074	15.9
70.15102	1.7
70.94340	3.2
71.04987	7.9
71.08599	1.9
73.02914	12.6
79.05498	49.7
81.03414	18.6
81.07058	48.2
83.04976	7.0
83.08627	10.0
85.02903	19.9
85.06529	7.5
87.04430	2.1
91.03956	11.8
91.05483	55.0
92.05836	2.9
93.06492	3.5
93.07052	55.2
93.07642	3.5
95.04965	8.2
95.08611	28.5
97.02886	20.4
97.06525	4.8
97.10166	5.4
99.04482	2.4
99.08051	1.8
101.02368	3.1
103.05431	2.1
105.07031	39.7
107.04951	7.2
107.08589	30.6
109.02879	4.7
109.06514	5.0
109.10164	18.0
111.04456	3.0
111.08029	3.7
115.05457	3.6
116.06266	2.0
116.17215	1.7
117.07016	21.2
119.08600	25.0
121.06484	4.6
121.10159	30.8
122.10353	1.8
123.08060	5.1
123.11689	3.8
125.09574	3.4
127.03886	4.2
128.06206	5.9
129.05510	2.1
129.07004	15.9
130.07841	2.5
131.08572	27.0
133.06479	3.0
133.10141	23.7
135.08044	3.0
135.11688	14.8
137.09604	3.4
141.07001	5.2
142.07805	5.0
143.08553	16.4
145.10139	21.7
147.08061	3.6
147.11708	15.5
149.09633	16.1
149.13303	3.1
151.11168	5.1
155.08560	10.3
156.09351	2.7
157.10118	20.9
159.11697	17.9
161.06006	2.3
161.09700	2.9
161.13243	6.9
163.11194	11.5
163.14934	2.0
165.12758	5.0
167.08600	3.8
169.10101	12.2
170.10753	2.0
171.11708	15.1
173.09622	3.1
173.13281	9.3
175.11232	3.8
177.12653	2.3
179.08627	3.9
181.10138	5.9
183.11693	9.5
184.07477	1.9
185.11821	1.6
185.13202	9.2
187.11127	2.3
187.14886	3.8
189.12758	3.5
191.10611	3.1
193.10161	4.4
195.11659	8.8
197.09523	2.3
197.13272	5.9
199.11223	2.1
199.14763	5.7
207.11723	4.2
209.11574	3.6
209.13336	5.9
211.14824	3.3
213.12723	2.4
213.16350	3.3
217.15852	3.3
219.11688	3.1
221.13261	6.0
223.14847	3.2
233.13214	2.7
235.14766	3.2
237.16339	2.5
247.14912	2.1
249.16403	2.5
251.18039	1.9
259.20541	4.4
260.20999	2.1
275.20099	5.0
283.15530	2.1
283.20584	4.2
285.22110	3.0
287.20071	1.9
301.21411	1.9
351.14240	1.7
351.23248	2.6
361.24158	2.1
405.26306	2.2
415.29788	6.2
423.27435	5.4
433.31055	15.9
435.27536	2.6
443.28140	2.5
451.32010	6.8
469.33304	2.7
507.34659	6.8
523.33551	2.1
525.35791	100.0
526.35760	3.6
543.36853	84.4
544.37250	2.5
564.39404	1.9
567.36432	2.4
585.37286	1.8
669.40002	4.6
687.40717	12.0
705.42047	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	704.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05511	5.0
56.05850	0.7
57.03399	0.6
57.07073	36.9
59.04713	0.9
59.04999	17.9
59.64265	0.6
65.03945	0.8
67.05502	11.5
68.05826	1.4
69.03421	2.2
69.07066	5.8
70.99274	1.9
71.04967	1.2
71.08628	72.4
73.02927	1.8
73.06554	5.5
79.05491	8.9
79.07676	0.7
79.73814	0.6
80.05816	1.2
81.03416	3.5
81.07055	10.0
82.07389	1.5
83.04981	0.9
83.08619	2.1
85.02911	1.1
85.06555	0.9
85.10181	41.1
87.04466	16.6
89.06026	100.0
91.05477	8.5
92.05817	1.4
93.07036	8.5
94.07363	1.9
95.04964	2.0
95.08601	7.2
96.08943	0.9
97.06528	1.5
97.10175	1.9
100.74367	0.9
103.07567	8.2
105.07028	6.9
106.07366	1.3
107.04960	1.7
107.07079	1.8
107.08575	3.8
108.08936	1.0
109.06545	1.7
109.10149	2.9
117.07021	3.0
117.09122	3.9
118.07375	0.8
119.08604	6.5
120.08925	1.2
121.06481	0.9
121.10144	2.9
123.11713	1.0
124.99993	0.9
127.14807	4.2
128.96727	0.7
129.07028	1.9
130.08675	1.8
131.07059	5.9
131.08559	3.5
132.08922	0.8
133.08600	69.0
133.10022	3.9
134.08885	0.8
135.08124	1.0
135.10129	0.9
135.11687	2.3
136.11955	0.8
137.09512	1.0
143.08557	2.1
145.06561	0.8
145.10143	3.9
146.10529	1.1
147.11670	2.2
148.11954	0.9
149.09625	1.5
155.08510	0.9
157.10077	1.2
157.17148	0.7
159.11726	2.5
160.12013	1.0
161.11734	1.4
169.10152	1.5
170.62552	0.7
171.11690	1.2
173.09552	0.7
173.13287	1.5
175.08275	0.7
175.09686	4.6
175.11140	1.3
177.11223	27.8
181.10062	0.7
183.11708	1.1
184.07324	2.7
185.13211	1.1
185.18951	5.2
187.14908	0.8
210.13853	0.8
219.12248	1.6
221.13815	5.8
229.21626	4.4
239.14981	0.9
265.16434	2.1
275.20190	1.4
283.17557	1.4
309.19193	1.8
327.20261	1.2
351.14294	0.9
353.21603	1.0
401.50952	0.7
415.25699	1.1
436.32571	0.8
485.29382	0.8
503.30591	6.2
525.36566	1.1
543.36072	1.4
563.38763	1.0
594.35132	0.9
606.07416	0.9
686.39319	3.2
687.49689	0.8
704.40466	6.1
704.51666	1.9
705.41211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.7
57.07081	0.7
58.06353	0.2
58.06621	0.4
59.05012	0.2
59.10720	0.1
60.08166	7.3
67.05499	0.4
69.07064	0.2
70.06595	0.2
71.07372	3.9
71.08632	0.6
72.17324	0.2
79.05490	0.4
81.07056	0.3
83.04974	0.2
83.08622	0.2
85.10184	0.2
86.09705	34.2
87.10048	0.2
89.06035	0.4
91.05486	0.2
93.07016	0.2
95.08625	0.5
98.98463	3.4
100.41190	0.2
104.10733	2.9
107.08598	0.2
125.00003	21.5
133.08612	0.3
135.11676	0.2
142.25856	0.1
163.01723	0.1
163.11171	0.3
184.07339	100.0
185.07672	0.8
227.12686	0.2
318.52954	0.2
324.53366	0.1
359.22302	0.2
496.33847	0.3
512.87531	0.2
577.47412	0.1
704.44965	12.0
705.45557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
54.88747	0.9
55.01854	2.8
55.05511	12.1
57.03427	4.0
57.07064	1.3
59.05002	1.1
59.12934	0.7
60.56945	0.9
61.02913	1.5
65.03952	1.6
67.05508	41.2
69.03422	1.3
69.07065	8.2
71.05000	13.7
71.23013	1.3
79.05500	35.6
81.03424	7.4
81.07062	53.5
83.04980	7.9
83.08627	6.4
85.02863	1.4
85.06542	5.3
86.09706	3.4
91.05492	30.4
93.07048	34.6
95.04968	7.6
95.08611	16.7
97.02853	1.9
97.06536	4.2
97.10157	3.5
98.20840	0.9
105.04500	1.2
105.07040	21.7
107.04966	3.1
107.08604	14.6
109.06513	4.5
109.10160	5.2
111.04465	1.1
111.08067	1.8
113.47742	1.0
117.07018	6.5
119.08606	9.7
121.06532	1.8
121.10135	4.2
123.08054	3.1
123.11735	5.3
125.00029	2.1
125.09593	1.4
129.07028	7.0
131.08627	4.4
133.10147	13.7
135.11685	2.8
135.49699	1.0
143.08554	4.4
145.10130	5.9
147.08061	1.3
147.11690	12.1
149.13261	4.6
151.11214	5.4
159.11702	3.8
161.09607	1.8
161.13248	3.9
171.11707	9.8
173.04439	1.8
177.12772	1.2
184.07361	7.6
187.13298	1.5
189.12741	2.7
195.13869	2.6
207.13779	9.8
217.14268	1.5
225.14745	1.2
253.14435	1.6
254.04012	1.2
269.17493	4.0
276.20572	1.5
281.17471	15.2
301.20108	5.0
403.28644	1.0
449.29031	31.1
450.28851	1.1
463.30331	3.7
475.30573	100.0
476.30505	2.1
507.33231	20.4
570.01068	1.1
651.37720	1.8
689.82928	1.0
704.40143	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	704.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.9
53.03947	3.3
55.01878	4.4
55.05510	14.2
57.03438	6.8
57.07058	0.9
59.04992	1.7
61.02918	1.5
65.03945	1.2
67.05502	15.4
69.03429	2.0
69.07067	5.0
69.30779	4.6
71.01339	0.7
71.04978	2.5
73.02920	2.1
77.81185	0.7
79.05492	19.7
81.03395	4.3
81.07052	21.3
83.04958	3.8
83.08617	14.1
85.02880	0.7
85.06527	1.7
91.03934	0.7
91.05478	18.4
93.07040	33.9
94.50623	0.6
95.04974	7.8
95.08606	29.4
97.02889	7.3
97.06010	0.6
97.06502	3.6
97.10154	1.4
99.00812	12.6
99.04446	3.0
99.08070	0.6
103.05486	1.6
105.07028	15.8
107.04958	12.1
107.08595	25.7
109.02878	8.5
109.06501	2.4
109.10161	5.9
111.04462	2.2
111.08081	3.0
113.05993	0.8
115.03925	2.3
117.07013	9.0
119.08575	13.5
121.02894	0.9
121.06511	9.2
121.10136	10.6
121.62798	0.6
123.04456	1.6
123.08070	1.3
123.11681	1.5
125.06013	2.6
127.03932	1.7
128.06190	1.1
129.07024	1.1
130.07751	1.4
131.08591	1.3
133.06485	1.3
133.10126	29.1
135.08076	2.0
135.11687	36.1
137.05981	1.4
137.09669	0.7
139.07532	3.8
143.08530	3.7
145.06451	1.3
145.10118	25.0
151.11176	7.7
153.12663	0.7
161.09619	13.2
163.11176	48.9
165.09154	0.8
170.80646	0.6
171.08089	2.7
173.09642	1.2
179.10655	7.7
181.12238	7.6
184.07208	0.7
189.09087	7.1
197.11708	1.3
202.51682	0.6
203.50108	0.7
207.10121	3.5
209.11731	1.7
219.82680	0.5
225.11209	6.7
227.12776	53.6
228.13161	0.9
243.12296	1.2
281.13797	6.4
283.15387	57.1
284.15771	0.8
285.17236	0.6
295.82712	0.6
299.14890	77.8
300.15393	1.5
507.25897	100.0
508.26065	3.0
589.15082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.1
57.03431	2.9
57.07080	100.0
58.04230	8.3
59.05005	41.1
60.08151	4.2
67.05511	3.5
67.59689	1.4
69.07067	5.1
71.05003	2.2
71.07374	1.6
71.08635	75.6
72.05779	13.1
73.02917	4.0
73.06561	14.9
81.07071	3.6
83.08609	2.4
85.10188	63.6
86.07335	2.9
86.09718	13.4
87.04479	17.0
87.08078	3.8
88.05241	2.3
89.06032	18.2
90.01923	31.5
91.05493	2.3
93.40324	1.6
95.08608	2.8
97.10184	3.7
98.98432	1.5
99.11741	11.9
99.57085	1.5
99.83754	1.4
101.06039	3.2
101.09667	1.9
103.07578	10.5
105.07000	1.3
109.10135	2.6
111.11770	1.4
113.13292	4.0
115.07591	1.8
116.08369	2.3
117.09152	15.4
123.11711	1.8
125.00015	10.3
129.09039	1.6
131.07053	2.2
133.08609	12.2
147.10121	3.3
149.71283	1.7
152.15569	2.2
155.17963	6.0
161.11749	4.0
165.11234	1.5
177.11217	3.8
178.07114	4.4
179.12747	1.9
183.17409	2.9
184.07349	49.3
185.07681	5.7
194.13922	1.5
208.15401	2.5
212.21487	2.5
213.22202	9.4
222.09680	7.4
222.17122	2.4
223.15395	2.8
228.95325	1.4
241.21764	2.3
252.18056	1.9
256.21738	1.4
256.50180	1.6
266.12503	1.4
266.19650	4.3
268.17355	1.8
271.26279	3.8
285.17743	2.0
296.20703	3.0
304.75403	1.6
305.08679	1.4
310.22299	5.2
326.21661	4.7
340.23270	3.8
356.22647	1.9
368.26382	1.6
376.34052	3.7
402.79929	1.4
416.21085	3.9
420.36771	3.9
461.93549	1.5
464.39487	7.6
508.42090	1.9
524.41882	1.6
552.44708	15.7
612.46295	1.6
631.80151	1.5
659.88330	1.5
703.47839	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	703.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.9
53.03942	21.0
55.01865	8.3
55.05514	34.7
57.03441	19.0
57.07073	6.4
59.04975	3.3
60.08176	4.5
61.63680	2.3
65.03943	7.9
67.05508	99.2
67.43044	2.7
69.03426	31.5
69.07069	17.9
71.04979	7.8
71.07365	4.6
71.08638	3.9
77.03942	3.4
79.05492	96.1
81.03416	54.5
81.07054	90.8
83.04974	20.4
83.08611	11.7
85.02893	16.5
85.06557	4.1
85.10156	3.9
86.09711	24.9
89.06002	4.1
91.05484	82.8
93.07043	92.2
95.04974	27.3
95.07990	3.2
95.08606	59.2
97.02893	9.7
97.06529	7.4
97.10197	4.0
98.21564	4.1
99.04440	7.7
99.08080	3.1
101.02401	3.0
103.03957	3.3
103.05465	4.3
105.04530	5.1
105.07029	54.2
107.04969	13.7
107.08592	37.7
109.02879	5.5
109.06528	6.9
109.10162	19.4
111.04453	4.2
115.05445	7.7
117.07024	29.2
119.04935	4.0
119.08594	40.9
121.06506	7.1
121.10151	28.0
123.04440	3.2
123.08057	7.5
123.11726	6.9
125.00043	16.9
127.03915	12.2
128.06218	7.7
129.05492	5.4
129.07005	26.1
131.03391	3.7
131.04892	5.1
131.08565	22.4
133.06520	6.6
133.10130	17.9
135.08080	5.3
135.11687	16.0
141.06993	4.6
143.08583	20.8
145.06456	10.1
145.10121	20.3
147.08069	6.8
147.11682	27.9
149.13284	7.7
153.07011	3.7
155.08533	5.7
157.06491	7.5
157.10104	7.8
159.08119	3.0
159.11703	6.9
161.09625	2.8
161.13246	12.9
163.11171	3.0
163.14832	3.1
169.10126	4.1
171.08066	6.5
171.11705	24.2
173.04471	6.8
173.13307	7.6
175.11093	2.7
175.14824	4.5
181.10165	3.8
183.08044	3.9
183.11639	4.3
184.07330	79.0
185.07715	15.1
185.13284	6.2
189.12778	5.2
197.13319	3.3
199.14848	2.9
207.13771	23.8
208.71364	2.9
212.87152	3.0
229.00710	3.8
241.15913	4.9
243.21216	3.8
259.17075	5.0
259.20438	3.7
261.22128	9.7
269.15387	7.0
281.17551	23.9
287.16403	13.0
335.25812	100.0
361.20215	4.5
425.21768	8.7
514.06335	2.8
519.09235	2.8
541.38953	47.4
542.38458	3.4
555.40112	3.6
621.41461	3.1
685.42877	4.3
703.45691	9.2
705.35529	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	703.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.9
55.01863	8.2
55.05510	33.6
56.40842	2.3
57.03440	19.6
57.07065	10.2
59.04990	5.3
60.08160	8.8
65.03938	7.6
67.05505	90.7
69.03431	32.7
69.07075	23.2
71.04989	7.3
71.07362	3.9
71.08624	10.2
71.50045	2.3
71.50430	2.9
73.02903	2.2
75.50931	2.7
77.03905	3.5
79.05494	98.8
81.03416	58.7
81.07057	96.1
81.07500	1.8
83.04987	20.6
83.08628	14.0
85.02898	23.1
85.06558	3.0
85.10177	6.8
86.09695	18.8
89.06026	8.5
91.05483	86.7
93.07049	100.0
95.04415	3.9
95.04956	21.4
95.08609	65.7
97.02880	15.3
97.06530	8.8
97.10156	6.0
99.04427	7.9
101.02380	2.3
103.05454	3.2
105.04552	5.0
105.07026	57.3
107.04948	11.7
107.08598	42.2
109.02870	4.3
109.06532	3.8
109.10165	22.5
111.04436	4.3
111.08100	4.0
115.05457	7.9
116.13989	2.7
117.07014	27.9
119.08585	39.2
121.06474	6.3
121.10147	28.9
123.08023	5.0
123.11705	4.3
125.00006	14.4
127.03923	8.4
128.06229	5.4
129.05504	5.4
129.06978	23.8
131.08560	29.9
133.06491	10.9
133.08638	5.4
133.10126	23.6
135.08046	5.5
135.11682	15.3
137.09616	2.6
137.13165	3.7
141.06955	7.2
143.08566	15.2
145.06497	7.6
145.10135	20.0
147.08003	7.2
147.11691	23.4
149.09622	4.7
149.13231	6.6
153.05208	2.3
155.08589	6.3
157.06537	6.1
157.10175	8.1
159.07993	5.6
159.11678	11.0
160.82080	2.6
161.09621	5.9
161.13275	13.6
163.07426	2.4
163.11194	3.7
163.14824	4.4
167.08623	4.6
169.10092	5.0
171.08067	5.2
171.11687	18.6
173.04463	10.3
173.13261	7.2
175.14703	3.3
177.12762	2.4
183.11702	4.2
184.07349	69.9
185.07552	4.9
185.13269	5.9
187.11189	3.5
187.14804	4.7
189.12773	6.0
195.11591	4.1
197.13269	4.9
199.14847	3.1
207.13713	15.7
219.13802	3.1
221.13409	3.0
221.15477	3.2
223.14954	2.7
241.15919	4.2
259.16867	8.4
259.20615	3.9
261.22113	7.1
269.15317	6.5
275.20105	5.6
281.17435	17.7
287.16373	13.5
335.25809	83.6
336.26151	6.7
351.17935	5.9
361.20163	3.0
400.80371	4.0
425.21548	8.4
541.38885	39.1
563.38947	3.4
621.41534	4.3
685.42523	4.0
703.42780	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	703.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.0
54.71762	2.0
55.01865	6.7
55.05279	2.6
55.05513	32.2
57.03438	19.4
57.07069	8.9
59.04983	6.4
60.08153	3.5
61.02906	3.2
65.03929	5.0
67.05505	100.0
67.41930	2.5
69.03438	31.5
69.07066	24.1
71.04981	8.7
71.07384	2.3
71.08624	8.6
71.49744	2.9
73.02912	4.6
73.06532	2.1
75.87733	2.4
77.03929	2.4
79.05493	96.3
81.03419	53.4
81.07058	96.1
83.04983	20.0
83.08629	10.6
85.02915	13.8
85.06551	4.6
85.10165	4.5
86.09708	20.6
87.04476	2.3
89.06038	8.6
91.05481	85.5
93.07046	91.5
95.04976	24.2
95.08608	63.6
97.02880	11.2
97.06522	8.1
97.10151	5.1
99.04465	8.6
101.02399	2.2
103.03925	2.5
105.07030	51.4
107.04979	11.9
107.08601	41.1
109.02887	5.8
109.06525	5.1
109.10162	18.0
111.04387	2.6
111.08061	5.1
111.11718	2.4
115.05437	5.1
117.07011	27.2
118.76814	2.1
119.08578	42.7
121.06490	9.8
121.10157	25.8
123.08073	4.8
123.11707	4.9
124.99981	12.1
127.03921	10.2
127.07592	2.1
128.06213	7.0
129.05492	3.7
129.06989	22.9
131.04950	3.9
131.08577	32.2
133.06462	7.1
133.08609	3.7
133.10136	23.0
135.08041	5.8
135.11720	13.1
141.07042	4.5
143.08575	17.8
143.48494	2.1
145.06488	8.3
145.10104	22.8
147.08015	6.0
147.11678	26.1
149.09633	3.2
149.13261	7.7
155.08557	8.0
157.06499	5.2
157.10107	8.1
159.08005	5.1
159.11688	10.2
161.09605	6.6
161.13254	14.6
163.11160	3.2
167.08505	5.6
169.10056	5.5
171.08031	5.2
171.11694	17.3
173.04469	6.6
173.13252	5.4
175.14793	5.2
177.12805	2.8
179.14340	2.4
181.10114	6.8
183.11578	4.3
183.68369	2.3
184.07341	64.3
185.07634	6.0
185.09511	4.6
185.13197	5.9
187.14851	4.9
189.12753	6.6
197.13275	3.0
201.12772	2.8
203.14198	2.8
203.96376	2.2
207.13840	15.6
208.70908	2.5
223.14754	3.4
225.14909	2.7
225.45227	1.9
229.48618	2.1
241.15927	3.6
243.21019	3.6
245.15456	2.5
259.16937	5.9
259.20520	2.3
261.22141	6.2
269.15305	7.2
275.16287	2.9
275.20035	8.5
279.15723	2.8
281.17380	15.4
287.16422	16.4
300.57947	2.1
333.17014	2.6
335.25784	71.5
336.26224	5.0
361.19946	3.2
425.21576	8.9
541.38928	35.8
555.40533	4.2
563.38904	3.0
621.41962	4.7
665.57721	2.3
685.42596	4.7
703.42975	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	703.407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28415	2.4
53.03937	12.9
53.62679	2.3
55.01871	11.2
55.05513	32.1
57.03429	6.2
57.07067	4.7
58.06592	2.4
65.03940	5.5
67.05506	65.8
69.03422	9.8
69.07066	26.1
70.06583	6.5
70.31493	8.9
71.04990	8.3
77.03928	3.9
79.05489	55.5
79.05918	5.3
81.03416	37.8
81.07053	67.1
83.04963	13.2
83.08611	13.1
85.02893	8.1
85.06530	3.8
86.09731	3.1
88.07616	3.8
91.05480	65.6
93.07044	51.7
95.01333	9.5
95.04974	16.5
95.08606	49.5
97.02914	12.5
97.06528	14.7
97.10194	7.9
105.04562	4.8
105.07031	65.8
107.04959	15.4
107.08597	30.9
109.02885	9.2
109.06522	9.7
109.10150	17.8
111.04442	6.5
111.08058	7.0
115.05476	6.3
117.07007	28.9
119.08573	42.6
121.06499	8.2
121.10135	23.5
123.04419	6.4
123.08073	6.1
123.11736	3.7
125.00034	4.1
125.06033	3.5
125.09626	4.6
127.03880	4.1
128.06255	2.8
129.07007	18.6
131.04948	3.9
131.08554	36.6
133.06514	6.8
133.10126	36.9
135.04408	5.9
135.08055	7.5
135.11710	14.6
137.05933	3.2
137.09607	6.7
139.03877	2.5
141.06999	7.0
142.07739	4.3
143.08553	10.3
145.06503	7.1
145.10118	29.7
147.04475	4.2
147.08037	8.5
147.11691	18.3
149.02383	17.0
149.03436	4.5
149.09581	7.9
149.13316	4.2
150.02678	2.7
151.03909	7.9
151.11240	3.4
153.05484	5.0
155.08597	8.8
157.06403	3.3
157.10159	19.2
159.08086	5.3
159.11713	18.6
161.06001	4.0
161.09653	4.6
161.13271	8.5
163.11234	5.2
164.75357	3.5
165.05510	4.0
165.09109	3.9
167.08583	4.4
169.10115	11.8
169.93433	2.5
171.08096	4.4
171.11711	8.5
173.11934	3.2
173.13330	8.2
175.03955	3.3
175.11203	7.6
175.14864	4.0
177.12810	4.1
179.07153	3.2
179.14316	7.6
181.10129	5.4
183.11656	5.2
184.07378	7.1
185.09523	4.0
185.13310	5.8
187.11252	4.3
187.14832	5.0
189.05481	4.5
189.09178	3.2
193.04988	11.3
193.10146	4.4
193.12297	8.8
195.11751	4.7
197.13326	6.2
207.11702	2.9
211.13336	10.2
211.15102	3.1
221.13322	2.5
229.08792	2.7
239.10632	3.6
243.20995	2.8
256.26395	8.1
257.26700	6.6
259.20679	6.0
261.22266	5.1
267.15759	2.7
273.18518	3.9
275.20102	40.3
285.22025	3.8
289.14618	2.9
291.19611	3.2
293.21188	3.4
300.29282	3.7
311.16400	3.3
333.13266	5.6
333.24365	4.9
335.25800	5.5
349.23929	3.5
351.14407	15.7
385.09320	2.9
386.10065	2.8
403.10587	3.5
411.20294	3.4
429.11920	4.7
430.12115	3.5
527.37292	9.5
541.35339	7.0
557.33044	3.0
575.33691	3.8
593.34491	3.3
611.35828	8.3
656.32660	2.8
667.37732	8.1
685.39465	26.2
703.39984	100.0
704.41003	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79518	2.0
51.02383	2.1
53.03951	11.6
55.01868	17.0
55.05236	2.7
55.05510	44.0
57.03441	11.6
57.07068	8.6
64.75354	2.2
65.03931	9.3
67.05505	99.3
69.03426	11.7
69.07069	26.9
71.01364	2.3
71.04987	10.1
71.08632	6.0
79.05495	76.5
81.03418	34.3
81.07056	100.0
83.04971	14.2
83.08624	16.9
85.02904	8.4
85.06501	4.8
85.10152	3.7
89.06022	10.6
91.05485	85.8
93.06486	4.6
93.07046	76.6
94.07395	3.6
95.01359	14.3
95.04976	17.0
95.08604	51.8
97.02889	9.6
97.06552	11.5
97.10173	11.6
98.20687	4.3
98.21384	12.4
99.04471	2.3
99.08074	3.2
103.05477	6.5
103.20572	2.1
105.04528	3.5
105.07029	69.5
105.07698	4.6
107.04960	20.1
107.08594	45.7
109.02888	9.0
109.06545	13.5
109.10157	31.2
111.04430	5.5
111.08089	5.1
113.02346	2.9
115.05451	5.7
117.07015	30.3
119.04950	7.0
119.08586	49.5
121.02889	2.8
121.06512	12.6
121.10159	33.4
123.04440	9.4
123.08079	7.2
123.11716	9.1
125.02366	3.3
125.09644	6.1
127.03854	4.7
128.06204	5.5
129.06993	22.1
130.07889	3.4
131.04918	7.3
131.08577	43.5
133.06505	9.2
133.08612	6.1
133.10133	42.4
135.04419	7.1
135.08092	8.4
135.11673	17.3
137.02350	2.8
137.05997	6.1
137.09637	7.3
139.03871	3.3
141.01817	4.7
141.06970	12.2
142.07759	4.1
143.08560	27.6
145.06500	9.8
145.10127	29.9
147.04420	8.1
147.08058	7.0
147.11687	23.3
149.02377	4.2
149.05989	7.4
149.09625	10.0
149.13278	10.4
150.49953	2.4
151.03920	7.9
151.11201	3.6
153.05528	3.5
153.07027	3.2
154.07773	3.2
155.08580	19.0
157.06476	6.1
157.10149	18.4
159.08095	5.8
159.11688	27.2
161.05991	6.4
161.09618	6.7
161.13261	13.6
163.03902	6.2
163.11191	2.9
163.14876	5.2
165.05673	4.0
165.06985	4.8
166.07738	3.4
167.08633	6.5
169.10153	15.2
171.08104	5.2
171.11636	17.6
173.05981	3.9
173.09625	6.1
173.11823	5.2
173.13295	13.9
175.07581	2.9
175.11237	10.2
175.14894	4.2
177.05524	5.8
177.09135	2.6
177.12746	4.8
179.08597	4.8
181.10136	8.4
182.11018	2.3
183.08032	4.1
183.11728	10.4
184.07333	7.8
184.08926	2.4
185.09645	6.8
185.13213	12.3
187.11237	7.6
187.14812	5.0
189.05490	3.8
189.09132	2.2
189.11169	3.6
189.12709	5.4
191.08571	2.5
193.04941	3.2
193.10262	2.7
193.12341	4.8
195.07985	4.5
195.11697	8.3
197.09666	5.5
197.13335	7.3
199.11226	6.5
199.14879	5.3
201.09180	2.9
201.12822	3.9
203.10674	3.8
205.12173	3.2
207.11786	5.2
207.13765	4.5
209.09686	2.3
209.13255	5.9
211.11267	2.0
211.13187	4.4
211.14995	3.1
213.16533	3.4
215.10770	2.9
217.12369	3.5
223.11392	2.8
223.14993	3.9
225.12746	3.3
225.16399	3.3
233.11781	3.7
237.16272	3.2
239.14351	2.6
239.18034	2.9
241.19495	4.4
243.10085	2.7
243.21208	3.6
245.11722	5.2
251.12984	2.7
255.17644	2.8
257.11826	2.5
257.19046	3.4
259.20569	12.1
261.11389	3.2
261.22168	8.8
269.11658	2.9
271.13388	2.7
273.18613	3.0
275.19992	10.2
277.21759	2.7
283.20517	3.1
287.12720	3.8
289.14413	3.5
291.19559	8.3
297.13464	2.4
303.12344	2.9
303.23117	2.7
305.13950	5.6
307.15463	3.4
309.13232	2.7
315.12268	3.7
315.23331	4.5
323.14972	4.8
327.23367	3.2
333.13370	8.6
333.24460	13.7
335.14697	4.3
335.25970	12.5
351.14438	15.1
353.16132	2.5
371.17105	3.6
407.17365	3.7
425.18152	9.1
427.19839	7.2
434.79108	2.4
435.32446	4.5
453.34030	2.5
527.37274	9.1
539.33124	5.5
547.34332	3.0
549.34937	3.0
557.32300	4.0
567.37360	2.3
575.33813	3.1
583.36273	4.0
593.34204	3.3
611.35486	11.7
613.37372	2.5
629.36560	4.1
639.38049	2.7
667.38013	13.5
685.39380	44.7
686.40686	2.7
703.40399	81.6
704.40662	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	702.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.6
57.07075	100.0
59.05003	22.4
60.08167	0.8
69.07057	2.1
71.08630	70.5
73.06552	2.2
83.08632	2.0
85.10180	58.3
86.09713	3.8
86.10552	0.8
87.04472	8.8
89.06029	63.3
91.97955	0.8
95.08610	0.9
97.10194	2.8
98.20753	2.0
99.11730	11.9
101.09673	1.6
104.10764	0.7
107.22259	0.7
111.11742	1.1
113.13285	4.7
116.97929	0.7
117.09129	7.0
125.00018	2.4
130.08635	1.2
131.07085	2.6
133.08600	46.9
149.96153	0.7
155.17924	9.5
170.50618	0.9
175.09650	1.4
177.11221	18.3
177.12682	1.2
184.07329	14.3
184.08763	1.1
213.22124	14.8
213.23956	1.1
215.40601	0.7
221.13785	3.9
223.15587	0.7
265.16599	1.2
271.26248	5.3
283.17627	1.9
309.19138	1.1
323.45734	0.8
371.22968	1.2
415.25403	9.4
473.29877	1.2
503.30563	1.0
702.53967	2.3
716.57562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	3.2
53.03944	10.9
55.01878	16.4
55.05508	34.8
57.03431	12.3
57.07078	15.3
59.05002	5.8
65.03944	8.5
67.05508	97.7
69.03441	10.7
69.07067	31.0
71.01374	2.9
71.04993	6.5
71.08634	12.1
71.50161	3.8
73.02918	5.9
79.05494	87.2
80.05841	3.5
81.03415	24.1
81.07058	100.0
82.07391	2.8
83.01376	3.5
83.05006	12.0
83.08620	16.0
85.02919	11.4
85.06543	5.3
85.10181	4.7
89.06019	18.7
91.05483	83.3
93.07044	89.1
94.07375	3.5
94.24388	2.2
95.01344	13.1
95.04973	20.7
95.08611	70.7
97.02918	9.0
97.06531	12.2
97.10165	9.4
101.02398	3.7
103.03964	3.2
103.05489	5.1
105.04517	2.7
105.07041	67.7
107.04975	11.1
107.08601	54.2
109.02901	6.4
109.06551	11.3
109.10168	35.0
111.04430	4.0
111.08112	5.5
113.02408	3.1
113.06043	2.5
115.05481	7.6
117.07017	36.8
119.05037	4.1
119.08591	53.4
121.02855	3.4
121.06496	12.9
121.10149	40.9
123.04442	10.7
123.08117	6.9
123.11735	8.5
125.02380	6.3
125.05942	2.6
125.09655	7.6
127.03912	3.4
128.06248	10.7
129.07008	31.2
131.04907	3.4
131.08571	47.6
133.06522	7.4
133.08598	15.7
133.10135	46.6
135.04443	5.7
135.08092	11.2
135.11693	20.8
137.02403	2.6
137.06006	6.5
137.09564	5.9
137.13307	2.9
139.03897	3.9
139.07487	2.7
139.83662	2.3
141.01846	3.8
141.06979	11.3
142.07730	4.7
143.08562	26.2
145.06522	8.8
145.10127	42.8
147.04401	6.8
147.08064	8.7
147.11682	30.8
147.12799	2.8
149.02361	5.6
149.06029	5.3
149.09663	11.8
149.13251	12.3
151.03926	7.7
151.07582	2.9
151.11246	3.4
153.05530	3.9
153.07002	4.3
153.09094	3.0
154.07808	6.2
155.08597	18.4
156.09311	3.3
157.06532	4.9
157.10136	25.6
159.04416	3.2
159.08046	7.0
159.11693	28.8
161.05957	4.6
161.09651	8.3
161.13284	14.0
163.03967	4.6
163.07599	2.6
163.11157	3.5
163.14825	3.6
165.06915	3.2
167.08572	8.2
168.09396	2.8
169.10132	14.4
171.08122	6.4
171.11703	19.1
173.06059	2.6
173.09592	5.6
173.11775	5.3
173.13306	13.3
175.03964	5.5
175.07587	3.0
175.11163	11.0
175.14862	7.5
177.05544	2.7
177.11273	7.5
177.12733	5.8
178.07652	2.6
179.03357	2.4
179.08571	5.7
180.09268	3.1
181.10181	10.7
183.08173	2.9
183.11644	13.7
184.07370	10.8
185.09656	9.1
185.13257	15.2
187.11220	6.9
187.14832	8.1
189.05530	4.5
189.11258	4.8
189.12801	4.1
191.14342	3.1
193.04997	2.9
193.10315	4.9
193.12302	7.7
195.11783	7.5
197.09630	5.4
197.13329	9.7
199.11238	5.9
199.14883	9.8
201.09116	2.8
201.16367	3.0
203.07095	2.8
203.10701	3.8
205.10368	3.8
205.12144	4.7
207.11842	5.4
207.13829	4.5
209.09547	4.4
209.13387	2.7
211.11395	3.3
211.14914	6.0
213.16353	4.3
215.10780	4.2
217.12311	3.6
221.13419	4.5
225.09241	2.5
225.12904	2.5
227.10744	2.7
227.12723	3.0
231.10284	3.0
231.13954	2.4
233.11659	3.2
235.11226	4.0
235.14989	4.5
239.18037	3.8
241.19586	5.9
243.10155	4.2
243.13971	3.7
243.21138	4.5
245.11676	3.1
251.12892	3.7
259.13403	3.9
259.20590	13.5
261.22226	9.6
263.12820	2.8
269.11523	2.5
273.18597	3.1
275.20117	2.8
277.14319	2.7
279.12247	2.6
279.23471	2.6
285.22073	5.1
287.12885	6.7
289.14410	5.8
291.19562	3.2
303.23190	4.3
305.13879	4.0
307.15567	3.0
317.24768	3.1
321.13327	3.3
322.13202	2.6
323.14914	4.2
333.13403	9.7
333.24188	11.7
335.25842	15.2
349.21494	3.1
351.14343	22.7
369.15460	4.2
371.17007	3.1
417.31189	3.3
423.24692	2.9
425.18033	5.4
427.19739	8.7
435.32791	8.2
483.32629	2.8
509.36267	2.9
527.37335	12.4
528.37695	3.9
529.33289	4.4
539.33386	3.6
547.34192	4.1
565.35583	3.3
575.34033	4.7
593.34930	8.3
605.37860	3.5
611.35742	12.1
623.39429	4.3
625.35767	2.5
629.37140	4.4
631.35889	3.7
639.39111	4.6
649.37061	5.2
657.40100	4.2
667.38361	13.3
685.39551	53.5
703.40509	98.1
704.40619	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	702.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05037	0.9
57.03437	0.1
57.07069	0.4
58.06615	0.5
59.04999	0.1
60.08165	6.4
60.99236	0.1
64.50220	0.1
67.05511	0.6
69.07079	0.3
69.63192	0.6
70.06571	0.2
71.07375	3.4
72.56620	0.1
79.05482	0.4
81.07059	0.7
83.08633	0.2
86.09707	33.8
89.06027	0.3
91.05479	0.3
92.96184	0.1
93.07037	0.4
95.08593	0.3
98.20783	0.3
98.98466	4.2
104.10746	2.8
116.99425	0.1
125.00005	23.2
126.48392	0.1
133.08603	0.2
143.00970	0.1
177.11284	0.2
184.07341	100.0
185.07692	0.6
195.22624	0.1
269.17505	0.5
311.25946	0.3
344.08633	0.1
397.56305	0.1
464.23868	0.2
505.39163	0.6
520.77631	0.1
574.23322	0.2
702.47113	5.3
703.47638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05038	0.8
57.07084	0.8
58.06631	0.5
59.05011	0.2
59.07391	0.2
60.08167	6.3
67.05497	0.6
69.07072	0.3
69.51234	0.7
70.06599	0.2
71.05002	0.1
71.07375	4.0
71.08610	0.6
76.58515	0.1
79.05489	0.4
79.64376	0.1
81.07060	0.6
83.08656	0.2
85.10182	0.4
86.09708	30.6
87.04443	0.2
87.10028	0.3
89.06033	2.5
93.07054	0.3
95.08601	0.6
97.06538	0.1
98.20744	0.2
98.98466	3.6
104.10751	2.1
107.07039	0.1
107.08620	0.1
110.34871	0.1
117.09109	0.2
121.10198	0.3
123.11749	0.1
125.00011	21.6
126.00361	0.1
133.08597	1.4
135.11658	0.2
143.01048	0.2
177.11301	0.5
184.07346	100.0
185.07687	0.6
191.52274	0.1
221.13831	0.2
379.95004	0.1
452.53815	0.1
520.33606	0.2
573.48444	0.2
702.46973	4.5
703.46503	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	702.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05024	0.7
56.11160	0.1
57.07068	0.3
58.06618	0.5
58.80937	0.1
60.08167	6.4
62.95370	0.1
67.05503	1.0
69.07057	0.2
69.25848	1.3
70.06572	0.3
71.07372	3.6
71.08615	0.4
79.05482	0.6
81.07059	1.0
86.09707	31.0
87.10084	0.2
89.06034	0.3
91.05496	0.2
93.07050	0.6
95.08615	0.8
98.21530	0.3
98.98464	3.5
104.10744	2.4
105.07034	0.2
107.08568	0.2
107.43563	0.1
109.10133	0.3
111.08102	0.2
119.08587	0.3
121.10165	0.7
125.00006	20.6
133.08611	0.3
133.10147	0.2
135.11708	0.7
136.95280	0.1
143.01028	0.2
147.04428	0.5
149.13271	0.2
184.07341	100.0
185.07738	0.6
215.18018	0.2
233.19060	0.3
235.20677	0.4
251.20029	1.2
269.21274	0.3
395.19049	0.1
440.39288	0.2
519.40533	0.2
573.49054	0.3
652.65930	0.1
702.47113	5.6
703.47406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08116	1.0
50.10371	0.9
53.03943	3.0
55.01863	3.6
55.05511	40.8
57.03434	12.9
57.07058	1.2
59.04982	2.5
60.08150	1.8
61.02909	2.9
65.03934	1.8
67.05505	43.8
69.03430	6.1
69.07066	12.3
70.89513	2.4
71.04977	1.4
71.07342	1.3
71.08640	1.3
79.05494	31.0
81.03405	3.5
81.07053	41.2
82.73332	1.0
83.04964	4.3
83.08617	26.4
85.02895	3.4
85.06531	2.4
86.09710	10.6
87.04420	1.5
91.05486	11.2
93.07046	29.4
95.04968	2.5
95.08607	25.6
97.02910	1.6
97.10168	61.3
98.98454	1.3
105.07040	8.9
107.08593	30.0
109.06516	1.1
109.10152	13.5
111.08067	2.9
115.88263	1.1
117.07011	4.6
119.08577	5.7
119.65810	0.9
121.10140	11.7
123.11698	4.3
125.00027	6.7
125.09631	57.5
126.25202	1.1
131.08516	5.5
133.10115	4.9
135.08061	5.7
135.11694	8.5
137.13264	1.2
143.10666	2.3
145.10121	4.8
147.11694	4.0
149.13269	6.3
153.09114	3.9
153.12917	1.4
159.11696	3.7
160.20076	1.1
161.13245	2.1
163.14848	3.4
171.10149	9.7
173.13243	3.4
175.14812	1.6
177.16339	1.2
180.44608	1.0
184.07335	37.9
187.14853	1.3
189.11212	34.4
227.12773	77.6
228.12993	1.9
243.21069	6.2
245.13846	100.0
246.14255	2.0
261.22119	24.1
279.23230	2.6
317.24606	4.0
335.25803	66.4
353.26880	1.5
362.87674	1.1
386.58609	1.3
431.31659	2.8
487.34225	6.6
505.35223	41.3
523.35736	2.0
529.39349	5.1
604.94684	1.2
702.44391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96314	0.9
53.03940	3.4
55.01872	3.9
55.05515	53.2
57.03443	13.2
57.07090	4.6
57.07311	1.0
59.05009	2.3
60.08159	1.5
61.02923	3.3
61.32537	0.9
65.03931	1.8
67.05509	53.3
67.13194	0.8
69.03428	6.4
69.07070	15.4
69.31487	7.8
70.42870	0.8
71.04987	1.0
71.08645	1.8
71.42116	0.9
71.81344	0.8
73.02917	1.4
76.85612	0.8
79.05019	0.9
79.05498	40.0
81.07058	47.7
83.04985	3.8
83.08625	33.2
83.09125	1.5
85.02915	4.2
85.06547	1.5
85.10150	1.1
86.09708	7.0
89.06021	2.0
91.03960	1.0
91.05483	16.0
93.07048	36.0
93.07642	1.9
95.04984	2.5
95.08611	32.0
97.02879	1.6
97.06525	2.3
97.10176	64.8
97.46029	0.8
99.08129	1.4
101.09666	2.0
105.04504	1.5
105.07034	11.6
107.04952	1.1
107.08599	34.0
109.06540	1.0
109.10159	15.5
111.08087	2.2
117.07021	5.7
119.06065	1.1
119.08588	7.6
121.10155	16.4
123.11701	5.7
125.00008	5.4
125.09637	64.7
131.08580	6.4
133.08623	1.3
133.10121	7.2
135.08051	5.6
135.11693	11.3
137.13272	1.3
143.08684	1.0
143.10710	2.8
145.10104	5.4
147.11679	4.5
149.13269	7.2
153.09094	3.8
157.09972	1.0
159.11723	4.6
161.13281	3.1
163.14838	3.1
171.10164	8.9
173.13252	4.3
175.14859	1.9
184.07338	23.2
187.14752	2.5
189.09923	0.7
189.11226	41.2
227.12787	74.2
227.20056	4.8
228.13136	1.8
233.22722	0.9
243.21114	6.9
245.13857	96.4
246.14175	1.8
261.22159	26.5
267.55579	0.8
267.58954	0.8
279.23215	2.4
284.61508	0.9
317.24915	4.2
335.25821	100.0
336.26016	1.5
350.85922	0.9
359.14273	0.9
370.92188	0.9
413.30594	2.2
431.31561	1.8
487.34372	6.4
505.35263	65.0
506.35388	1.9
523.36053	2.5
561.37848	3.2
649.55420	0.8
727.80945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01869	2.9
55.05513	13.4
57.03421	6.2
59.04997	2.4
65.03938	2.4
67.05514	24.1
69.03408	3.3
69.07054	6.3
70.06593	2.7
70.15932	4.1
70.16329	5.2
71.04977	2.6
75.31074	2.2
79.05080	2.6
79.05495	39.5
81.03407	9.0
81.06664	2.2
81.07059	24.9
83.04990	9.8
83.08604	6.7
85.02840	3.2
85.06523	2.3
86.09705	5.0
87.27626	2.4
91.05479	36.4
93.07049	33.0
95.04980	12.4
95.08613	12.1
97.02895	3.8
97.06514	3.4
97.10187	3.7
98.20914	2.4
98.94330	2.1
99.00809	8.3
105.07023	27.2
107.04940	7.7
107.08598	11.1
109.02863	8.2
109.06448	2.5
109.10136	3.5
111.08108	2.3
115.05340	2.5
117.06985	7.3
119.08583	19.4
121.06486	5.6
123.07992	2.2
123.11703	3.0
129.06969	8.1
131.08546	2.4
133.10143	19.3
135.11620	2.5
139.03986	2.1
141.51331	2.1
143.08548	7.1
145.10094	4.7
147.11700	13.1
151.11171	4.5
161.09615	13.4
161.13315	4.2
171.11722	11.0
178.49973	2.8
179.10623	5.2
184.07359	4.2
189.09163	4.7
189.12703	5.4
207.13835	13.5
225.11269	4.9
281.14273	3.6
281.17480	42.4
299.14853	27.8
334.37363	2.4
487.26547	2.5
505.27969	100.0
506.28238	7.4
702.38098	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	701.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.8
53.03951	14.3
55.01869	14.0
55.05516	46.5
57.03436	19.3
57.07059	5.8
59.05889	2.9
61.02945	13.6
65.03943	7.4
67.05509	100.0
68.81652	2.6
69.03430	32.9
69.07068	26.2
69.18817	12.4
69.19238	13.0
71.04987	12.5
71.08634	3.6
71.65793	2.3
73.02927	5.7
79.05493	91.9
81.03417	51.5
81.07059	81.7
81.07535	5.2
83.04975	20.4
83.08620	26.2
85.02911	23.2
85.06542	5.1
91.03971	4.9
91.05479	83.2
93.07047	76.2
95.01328	7.6
95.04966	19.7
95.08606	60.4
97.02892	22.1
97.06532	9.3
97.10167	21.2
98.21136	13.2
99.04449	7.8
101.02369	2.8
103.05447	3.8
105.04505	4.0
105.07034	66.7
107.04971	13.6
107.08598	45.8
109.02867	9.0
109.06532	8.6
109.10160	21.5
111.04456	4.6
111.08085	5.3
115.05442	6.4
117.07021	41.3
119.04917	4.8
119.08582	43.8
119.84359	3.0
120.75894	2.7
121.02843	2.8
121.06532	7.3
121.10156	22.3
123.04437	3.8
123.08134	12.8
123.11693	4.8
125.09662	12.0
127.03922	12.6
128.06213	10.5
129.05486	6.4
129.07004	40.8
130.07857	3.1
131.04921	4.5
131.08569	50.8
133.06516	7.2
133.10141	27.1
135.04422	3.2
135.08063	5.7
135.11694	15.1
137.06004	4.2
137.09654	4.9
141.06982	20.8
142.07802	9.7
143.08559	32.1
145.06476	11.0
145.10123	37.1
147.08069	8.6
147.11697	24.1
149.02350	4.0
149.09625	4.0
149.13281	7.8
151.03920	10.2
153.07048	5.2
153.12917	2.7
154.07840	4.1
155.08560	31.9
156.09302	3.4
157.06613	4.1
157.10112	24.1
159.08075	5.4
159.11671	26.6
161.06026	3.0
161.09605	7.1
161.13257	14.7
163.11194	4.5
165.05510	3.1
165.07036	5.5
165.12833	3.7
167.08577	23.2
168.09335	6.8
169.10118	32.8
171.08037	4.0
171.11726	28.8
173.04483	16.5
173.09613	7.7
173.13235	16.1
175.03912	4.4
175.06064	2.9
175.14980	3.5
177.05489	3.5
177.12793	3.3
179.08572	7.1
180.09364	4.8
181.10117	25.2
183.08064	7.2
183.11665	23.4
184.07382	4.3
185.13271	12.6
187.11142	6.0
187.14798	7.0
189.11206	4.4
189.12679	3.7
191.08609	3.7
192.09274	2.9
193.10089	8.3
195.08005	5.7
195.11703	22.0
197.09634	4.0
197.13237	23.1
199.13177	3.7
199.14886	8.5
201.12697	3.3
205.10158	4.9
207.11749	12.1
207.13763	7.3
209.13295	18.4
211.11168	6.0
211.14838	12.1
215.14311	3.3
219.11739	4.1
221.09686	3.2
221.13339	8.1
223.14861	10.9
225.16451	5.8
227.12700	3.8
231.10161	3.7
235.14734	6.0
237.16209	3.2
241.08624	3.5
241.19737	3.0
249.16531	4.5
259.20627	7.7
261.16275	3.6
269.18857	3.6
281.17453	10.2
285.22055	3.6
289.21765	3.4
295.20587	3.2
299.19833	3.0
303.12299	4.6
309.22247	5.0
311.20108	4.0
321.13431	3.3
321.22318	3.4
323.24014	3.5
325.21790	3.4
333.24310	4.7
339.23294	4.9
349.12827	5.6
349.21393	4.8
367.22589	4.7
377.24728	3.2
391.26495	3.3
429.31503	5.1
445.38205	2.9
447.32669	13.0
461.81830	2.9
465.34055	4.7
521.36060	8.4
525.35846	7.2
526.36212	6.8
537.36090	3.2
539.37335	66.3
541.38428	3.3
557.37970	4.8
563.36121	3.2
591.33569	4.2
609.34515	9.6
619.40375	4.6
647.38458	6.2
660.53998	2.9
665.38318	9.7
683.38232	28.9
701.40985	76.9
702.40619	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	3.9
51.18004	2.8
53.03932	13.9
55.01882	14.8
55.05510	60.8
55.21102	3.1
57.03440	18.0
57.07072	4.0
61.02915	13.2
65.03947	7.5
67.05505	100.0
68.72331	3.0
69.03428	23.8
69.07064	40.9
71.04985	8.4
73.02902	9.2
77.03900	3.1
79.05491	97.3
81.03418	52.8
81.06596	4.9
81.07060	94.0
83.04980	17.7
83.08623	26.9
85.02913	19.3
85.06533	6.7
91.03950	4.3
91.05481	81.2
93.07046	77.3
95.01326	8.7
95.04977	23.6
95.08598	53.5
97.02895	25.2
97.06533	5.9
97.10186	18.4
98.20731	7.4
99.04433	6.9
103.05455	7.4
105.07034	71.7
107.04934	11.6
107.08591	39.3
109.02864	10.7
109.06509	7.6
109.10162	22.1
111.04449	3.4
111.08085	4.9
115.05424	9.3
117.07026	41.6
119.08588	50.6
121.06472	5.9
121.10121	20.5
123.04390	6.1
123.07092	2.8
123.08063	11.0
123.11675	6.5
125.02393	3.5
125.09605	11.7
127.03909	9.8
128.06195	11.7
129.05499	3.9
129.07010	43.6
131.04956	4.7
131.08575	50.9
133.06471	10.3
133.10123	37.5
134.10413	3.0
135.04442	5.6
135.08078	9.2
135.11697	11.7
137.02361	4.4
137.09593	3.3
141.07016	18.2
142.07816	8.5
143.08571	38.7
145.06477	5.6
145.10130	43.1
147.08083	5.6
147.11667	24.0
149.02396	3.7
149.09615	5.5
149.13185	5.6
151.03902	5.4
151.11188	4.0
153.06978	7.3
154.07785	6.4
155.08565	42.1
157.06500	8.7
157.10114	38.8
159.08040	7.9
159.11700	28.1
161.06032	4.4
161.09572	6.2
161.13225	8.9
163.03867	7.1
163.11176	4.7
165.05638	3.8
165.07022	6.6
167.08594	19.9
168.09344	4.0
169.10123	42.0
171.08054	4.6
171.11694	28.1
173.04463	11.2
173.09679	5.9
173.13258	10.4
175.03825	4.4
177.05383	3.3
178.07831	5.7
179.08571	12.5
180.09254	3.2
181.10120	20.1
183.08063	5.4
183.11661	27.0
185.09589	4.8
185.13225	18.8
187.11163	6.6
187.14758	7.7
189.12761	3.8
191.03394	4.1
193.10201	14.7
195.11687	26.3
197.09723	5.9
197.13243	18.5
199.11064	3.6
199.14769	8.2
203.10538	3.5
205.10175	8.0
207.11661	11.7
207.13821	9.5
209.09680	4.0
209.13292	20.4
211.11214	5.0
211.14827	11.1
213.12733	3.6
219.11755	5.2
221.09700	5.2
221.13208	12.5
223.11253	4.5
223.14835	12.8
225.16283	6.0
228.95351	3.4
235.14825	6.9
237.16318	4.1
239.17944	4.7
241.12245	4.2
247.14803	3.9
249.16394	6.1
259.20621	7.4
265.08679	3.8
281.17554	13.4
283.20569	3.7
285.22260	5.2
290.07620	3.5
295.20514	3.9
297.22250	3.1
303.12289	6.2
311.20361	4.9
321.13287	10.0
323.19949	4.8
333.24313	4.4
335.26068	3.3
339.23111	5.6
349.12903	6.1
349.21567	5.6
367.22711	4.4
429.31400	4.9
433.31012	5.0
447.32379	11.5
465.33847	7.8
500.78912	3.6
520.81104	3.7
521.36237	8.9
525.35602	9.5
526.36261	9.0
537.35571	4.7
539.37329	71.5
540.37579	3.9
573.32996	4.4
591.32983	8.3
609.33868	7.7
647.38550	9.1
655.38965	4.1
665.37811	14.2
666.40222	4.3
683.38031	34.4
701.40784	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	701.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	4.5
53.03934	10.4
55.01862	19.0
55.05514	37.4
56.70459	2.7
57.03426	9.6
57.07075	4.0
59.03027	2.4
60.58934	2.7
65.03938	9.4
66.32304	2.5
67.05506	85.7
69.03429	7.1
69.07066	23.3
70.94918	4.6
70.95261	5.6
71.05013	5.0
77.36586	2.5
79.05492	70.7
81.03410	8.3
81.07059	75.7
83.01317	2.9
83.04991	8.5
83.08616	21.2
85.02907	3.5
85.06529	3.8
91.05481	58.5
93.03403	4.7
93.07043	55.3
95.01328	13.2
95.04961	9.9
95.08606	53.6
97.02889	5.0
97.06524	5.7
97.10162	22.5
99.08046	2.6
103.05455	5.8
105.03427	3.9
105.07032	55.3
107.01249	2.7
107.04975	11.3
107.08604	36.5
108.47470	2.5
109.02870	4.2
109.06522	9.0
109.10151	21.5
111.08096	6.6
113.02380	3.2
115.05488	6.9
117.07026	35.6
119.04959	4.5
119.07795	4.5
119.08579	42.1
121.02902	3.0
121.06510	7.4
121.10117	21.6
123.04445	8.4
123.08092	7.5
123.11697	4.7
125.02355	8.2
125.09629	19.7
128.06248	8.9
129.07010	27.8
131.04947	5.9
131.08574	40.2
133.06508	6.8
133.10123	23.0
135.04433	8.4
135.08041	11.6
135.11674	14.2
137.02338	8.2
137.06026	3.3
137.09576	3.6
139.03915	4.4
141.06993	13.2
142.07794	7.6
143.08556	30.6
145.06506	7.5
145.10133	39.1
147.04440	5.5
147.08064	6.5
147.11687	20.7
149.02374	7.8
149.09651	4.3
149.13243	4.6
151.03911	11.1
151.07524	3.1
151.11180	4.8
153.05502	3.9
153.07018	7.3
153.09190	3.3
154.07799	4.1
155.03374	3.5
155.08553	28.6
156.09375	3.4
157.10130	20.8
159.04433	4.2
159.08090	6.4
159.11702	20.7
161.05988	4.6
161.09587	6.3
161.13287	12.1
163.03929	13.0
163.11226	6.0
165.01857	5.9
165.06981	5.2
166.07785	6.9
167.03413	6.3
167.08557	18.0
168.09354	3.8
169.10133	22.6
170.10977	3.5
171.08099	7.8
171.11627	18.5
173.06024	4.0
173.09624	5.8
173.13295	14.5
175.03929	10.4
175.07607	3.7
175.11235	5.0
175.14838	6.5
177.05467	4.8
177.12802	4.3
179.08563	6.4
180.09447	3.0
181.06584	3.2
181.10028	14.9
182.10886	3.7
183.08078	5.3
183.11667	20.4
185.06084	3.4
185.09604	6.9
185.13248	12.6
187.11258	5.9
187.14885	6.7
189.05507	7.2
189.09109	4.4
189.11290	7.0
191.03427	5.0
191.14211	3.0
193.04948	3.5
193.10147	9.0
195.08124	4.5
195.11736	17.0
197.06035	4.9
197.09634	7.4
197.13287	12.7
199.03928	5.4
199.07558	5.5
199.11179	5.4
199.14857	8.1
201.09106	3.0
201.12804	3.5
201.16495	3.3
203.06905	3.2
203.08690	3.8
203.10640	5.2
205.10175	6.8
207.11774	9.8
209.13301	10.3
211.11256	7.5
211.14809	10.5
213.09084	4.0
213.12695	6.2
213.16704	2.6
215.10605	4.4
219.11870	4.0
221.04544	4.2
221.09566	3.5
221.13365	10.6
223.14868	6.3
225.16437	5.4
227.10835	3.9
227.12849	8.8
229.08472	3.4
229.12224	4.2
231.09962	3.5
233.13451	3.5
235.14827	4.5
237.16396	5.6
239.05388	3.5
241.08752	3.5
241.12030	3.2
242.60588	3.1
243.10101	7.0
247.09569	3.5
249.16498	3.8
255.10066	3.6
257.11765	5.8
259.20648	5.3
261.22018	5.4
265.19479	3.8
267.09946	4.7
273.11172	3.9
273.18863	3.3
274.12650	3.2
275.20074	4.4
285.22177	8.4
289.10645	5.9
301.10809	5.8
303.12183	15.5
309.22366	3.8
313.10773	6.2
315.12418	3.8
321.13416	10.8
331.11865	5.1
333.24442	3.4
335.25748	3.9
348.95605	2.8
349.12939	11.8
351.14429	4.3
357.24298	4.3
363.25351	6.2
367.14096	3.3
403.22598	4.3
411.24838	3.2
415.29639	3.1
421.23907	3.5
423.16437	8.7
425.17889	2.9
433.31049	8.9
465.23077	3.4
497.32959	3.5
507.34250	3.3
525.35980	22.6
526.36615	14.1
527.37439	4.0
537.30591	4.5
545.32446	5.9
555.30463	6.9
563.33881	7.9
573.32281	8.3
591.33105	14.3
609.34003	22.1
619.36365	4.3
627.35498	7.6
629.34729	3.8
647.35431	9.5
655.38470	4.2
665.36823	18.9
672.11658	3.2
683.37891	56.4
701.38910	100.0
702.39178	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	700.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
57.03431	2.7
57.07076	100.0
59.05000	41.4
66.11012	1.1
67.05493	1.7
67.35956	1.1
69.07066	3.0
71.08630	66.8
79.05464	1.1
81.07087	1.7
83.08617	3.2
85.10182	58.6
87.04446	3.3
89.06033	17.1
93.07038	1.3
95.08599	1.4
97.10165	3.3
98.21599	2.9
99.11727	12.7
101.09639	3.8
103.07591	1.5
109.10146	1.5
113.13297	5.9
115.07505	1.7
117.09127	19.6
133.08591	14.5
135.10074	1.3
154.37904	1.2
155.17912	9.0
159.13766	1.3
175.13275	1.4
177.11183	2.7
184.07355	3.2
188.92314	1.3
213.22119	13.5
239.14815	4.2
271.26321	16.2
297.19073	2.8
329.30380	1.3
340.54800	1.4
407.83014	1.3
463.47876	1.3
503.32706	1.3
700.54980	1.7
701.48730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.05512	17.3
57.03440	14.0
57.07078	31.6
65.03918	3.1
67.05504	48.3
69.07059	14.6
71.04977	3.2
71.08630	22.7
71.49942	3.1
79.05499	52.3
81.03403	4.5
81.07066	37.6
83.04990	10.8
83.08621	13.3
85.10173	11.6
86.09676	3.6
90.45052	2.3
91.05489	33.1
93.07049	43.8
95.04967	12.0
95.08606	35.5
97.06519	4.9
97.10180	4.7
100.30123	2.7
105.07043	28.8
107.08588	12.3
109.06512	3.7
109.10146	9.2
117.07024	7.7
119.08587	17.1
121.10138	4.6
123.08075	3.5
123.11694	2.8
129.06970	10.7
133.10126	8.2
143.08566	8.3
145.10135	5.7
147.11673	21.4
161.13264	9.0
171.11700	16.5
184.07315	9.8
189.12787	9.3
207.13863	15.8
264.26886	10.1
265.27148	4.5
281.17480	100.0
313.27365	44.1
328.68265	2.7
519.40460	98.2
520.40314	4.0
537.50092	2.8
576.71179	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	700.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05037	0.7
57.02076	0.1
57.07070	0.5
58.06363	0.2
58.06625	0.5
59.07406	0.2
59.21565	0.2
60.08164	6.2
62.58780	0.1
65.23985	0.1
67.05501	0.4
68.77914	0.1
69.07043	0.2
70.06570	0.3
71.07369	3.9
71.08625	0.5
72.07558	0.1
79.01127	0.1
79.05489	0.3
81.07060	0.6
81.35877	0.1
83.08600	0.2
85.02906	0.2
85.10188	0.2
86.09705	31.6
86.63647	0.1
87.04440	0.2
87.10040	0.3
89.11058	0.1
91.05489	0.3
93.07045	0.4
93.73819	0.1
95.08624	0.9
98.98458	3.4
104.10738	2.7
105.07008	0.2
109.10162	0.2
119.46552	0.2
121.44289	0.1
125.00003	22.5
143.76804	0.1
166.02727	0.2
184.07336	100.0
185.07716	0.7
210.22342	0.2
213.18074	0.1
341.30490	0.5
407.69604	0.1
509.52274	0.2
700.45465	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	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39251	0.3
55.05512	0.4
67.05500	0.8
71.49499	0.3
71.49908	0.4
79.05505	0.5
81.07066	0.5
87.04466	0.3
91.05476	0.5
94.99018	0.3
105.07018	0.5
107.08554	0.3
109.10188	0.3
113.80124	0.2
119.08601	0.4
119.52169	0.2
130.68686	0.3
185.04225	0.5
203.05263	0.3
241.05934	0.3
259.08038	0.6
301.20203	0.5
302.80930	0.3
347.09659	0.7
389.85266	0.3
488.30594	0.3
537.30377	15.9
538.30878	0.8
681.39105	0.4
699.35614	100.0
700.35815	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.7
55.01852	0.5
55.05494	1.2
57.03430	1.6
59.05002	0.4
61.02924	3.9
62.28851	0.4
67.05512	3.6
69.03430	2.2
69.07069	1.1
69.54643	1.7
69.55070	1.1
71.01364	0.7
71.04993	1.8
73.02918	2.4
79.05489	2.6
81.03422	4.3
81.07067	2.9
83.04985	1.2
83.08620	1.1
85.02909	4.3
85.06536	0.4
86.09706	0.5
86.49921	0.5
91.03963	2.0
91.05482	2.6
93.07042	3.2
95.04967	1.3
95.08630	1.4
97.02885	3.5
97.06550	1.4
97.10178	0.7
98.21441	0.9
99.04462	1.1
101.02378	1.4
103.03951	0.6
103.43765	0.4
105.07039	1.4
107.04894	0.4
107.08589	3.2
109.02934	0.6
109.06550	0.6
109.10186	1.3
111.04413	0.5
119.04913	0.5
119.08584	2.1
121.10143	2.0
123.08092	0.5
123.11720	0.5
127.03931	1.4
131.08568	1.2
133.10144	1.6
135.11670	2.3
137.05943	0.5
137.09596	0.6
147.11703	1.1
149.09637	1.0
157.10098	0.9
163.11205	0.4
175.11310	0.8
193.12227	1.0
195.00012	0.4
205.95367	0.4
211.99214	0.5
221.11618	0.9
225.14926	0.8
243.08473	1.7
283.15244	3.3
339.17743	0.6
359.61508	0.4
439.19412	7.9
440.19775	0.5
469.20490	1.0
471.22049	1.1
501.23114	6.0
535.30640	0.5
699.35602	100.0
700.36084	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	698.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96609	0.9
53.03954	1.6
55.05510	4.2
56.05032	2.0
57.07076	4.7
59.05000	1.8
60.04522	1.7
67.05511	10.8
69.03423	1.2
69.07066	6.3
69.50233	4.6
69.50646	1.3
70.06582	1.8
71.08633	2.5
75.40746	0.8
79.05486	7.0
80.05045	3.9
80.05447	0.9
81.05801	1.9
81.07044	8.3
82.06577	7.1
83.08610	3.1
85.02901	1.1
85.10178	1.3
91.05486	6.3
93.07067	6.9
94.06573	20.1
95.07360	3.9
95.08607	6.4
96.08121	2.9
97.10133	1.2
98.20876	1.8
105.07032	3.8
106.32078	0.9
107.08588	2.8
107.67244	0.9
108.08138	4.3
109.10150	2.7
113.68282	0.8
119.08581	3.8
121.10155	2.7
122.09667	3.0
123.68243	0.8
133.10143	2.7
135.10446	1.6
135.11690	2.4
156.68497	0.8
177.09084	1.0
219.21037	0.9
229.68117	0.8
244.41978	1.0
245.22697	1.2
250.25337	5.0
256.26361	3.0
262.25305	100.0
263.25757	4.6
269.88565	0.9
280.26334	7.6
434.50836	0.8
488.47949	1.7
500.48407	7.8
502.49792	2.5
518.49371	16.5
680.54480	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	697.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05518	1.0
57.03431	1.9
61.02664	0.7
61.02921	4.4
63.74880	0.6
64.98882	0.5
65.03951	0.5
67.05506	4.9
69.03434	2.9
69.07066	1.3
71.05001	3.0
71.50612	0.9
73.02927	3.0
79.05495	3.2
81.03433	2.0
81.07047	7.7
83.04993	1.3
83.08614	1.3
85.02901	4.0
85.06543	0.9
91.03968	2.8
91.05488	3.7
93.07053	3.8
95.04980	0.8
95.08636	2.1
97.02885	4.9
97.06565	1.4
101.02379	1.6
105.07057	2.3
107.08601	2.7
109.02871	0.7
109.10182	1.4
111.08144	0.5
117.07023	0.8
119.08624	1.2
121.10162	1.1
127.03925	1.8
131.08629	1.0
133.10136	2.7
135.11697	0.8
149.13292	1.9
151.11166	0.6
159.11746	1.2
195.13858	1.1
203.05560	0.6
235.13107	1.2
243.08456	2.1
267.15784	1.1
291.15714	0.7
294.35028	0.9
453.20859	8.0
485.23734	5.9
566.52216	0.7
572.76251	0.7
675.67493	0.6
679.38214	0.6
697.37689	100.0
698.38031	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	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	2.6
55.05517	29.4
57.03435	7.1
57.07079	14.3
61.02925	21.3
67.05181	2.6
67.05510	32.2
69.03418	3.5
69.07074	37.2
70.82977	4.6
71.05003	3.8
71.08637	9.9
73.02914	5.2
79.05500	14.9
81.03430	2.7
81.07062	38.4
83.08617	36.6
85.02907	24.5
85.10178	5.0
91.03967	20.5
91.05482	3.2
93.07060	24.0
95.07993	2.7
95.08611	40.0
97.02891	11.8
97.06538	8.6
97.10175	21.0
105.07011	2.9
107.08598	16.0
109.10168	20.9
111.08083	5.5
111.11710	8.5
119.08633	1.7
121.09341	2.8
121.10152	33.9
123.11707	6.5
125.09656	4.2
127.03906	8.9
133.08594	2.1
133.10233	2.2
135.11705	31.7
136.06198	2.4
137.13266	3.3
139.11197	2.8
145.04971	12.5
149.13245	11.6
151.14824	5.0
153.12750	3.7
163.06020	17.6
163.14824	5.8
165.16449	3.6
174.06718	1.8
177.16336	2.2
186.70430	1.9
191.17906	2.8
196.73141	1.7
205.19511	2.0
247.24232	40.8
253.37973	1.9
265.25290	83.1
283.26285	16.5
336.74911	1.9
339.28949	100.0
340.29102	4.4
357.30014	51.1
358.30576	1.8
474.11951	2.0
501.33881	4.5
698.31586	3.0
698.42889	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	697.3765
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03936	0.5
55.01867	0.9
55.05508	0.9
57.03436	1.5
61.02930	3.8
67.05502	5.4
69.03442	3.0
69.07066	1.5
70.06586	0.4
71.04980	3.4
71.49125	0.5
73.02543	0.5
73.02911	3.0
79.05480	3.1
80.34048	0.4
81.03411	1.2
81.07054	7.3
83.04996	0.8
83.08626	1.2
85.02906	4.0
85.06542	0.6
91.03951	2.9
91.05502	2.6
93.07042	4.1
95.04993	0.7
95.08627	2.3
97.02898	3.3
99.04478	0.8
101.02379	1.6
105.07049	1.3
107.08589	2.9
109.02898	0.8
109.09472	0.4
109.10176	1.2
117.07042	0.9
119.08572	0.5
121.10153	1.3
123.04449	0.5
123.08060	0.4
123.11705	1.3
127.03943	1.5
129.06966	0.5
131.08565	1.1
133.10127	2.3
135.08095	0.5
135.11699	0.6
145.04980	0.5
147.11690	0.5
149.13249	2.2
151.11249	1.0
159.11723	1.2
177.12843	0.7
203.05377	0.5
235.13103	1.1
243.08385	2.3
257.17548	0.7
267.15717	0.8
269.17615	0.6
285.07916	0.5
323.18399	0.6
453.20932	7.8
485.23621	7.6
603.83521	0.5
697.37665	100.0
698.38080	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01883	0.8
55.05512	2.1
57.03426	0.9
61.02931	3.6
67.05509	5.5
69.03435	2.4
69.07072	0.9
70.06576	1.7
71.01363	0.6
71.04979	2.2
71.24523	0.8
71.24871	1.0
72.20881	0.6
73.02919	3.3
79.05486	2.5
81.03432	5.1
81.07063	4.1
83.08609	1.7
85.02911	3.8
86.09709	1.7
91.03955	2.2
91.05483	7.9
93.07050	3.7
95.04984	2.5
95.08616	1.8
97.02909	2.6
101.02422	0.9
105.07021	3.8
107.08620	1.7
109.06506	1.1
109.10168	2.1
117.07049	0.9
119.08608	2.4
121.10162	1.9
123.08055	1.1
123.11706	0.7
125.09702	0.7
127.03909	1.5
129.07047	1.6
131.08604	1.0
133.10120	8.0
135.11746	0.8
137.06055	0.9
143.08575	0.7
147.04465	0.8
147.08116	0.7
147.11694	1.9
149.09695	1.1
157.10155	1.4
161.09682	0.7
163.11166	0.8
175.11205	0.8
184.07323	1.7
193.12285	2.5
211.13304	0.9
219.09970	2.3
243.08434	2.1
266.57385	0.7
267.16010	1.5
283.15308	1.7
300.37650	0.7
303.06891	2.1
339.17789	0.8
437.17776	4.4
450.29202	0.8
469.20682	2.8
501.22925	7.4
517.27563	0.8
612.29254	0.7
697.34003	100.0
698.34503	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	697.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01869	3.6
57.03445	4.4
61.02893	4.4
67.05518	2.8
68.86176	2.3
68.99799	7.7
69.03422	7.5
69.33097	2.4
70.06586	8.4
71.09480	5.4
73.02920	3.9
74.20663	2.1
81.03428	6.7
84.08134	4.4
85.02904	29.8
86.09707	4.6
87.00832	3.5
91.05473	3.0
95.04922	3.7
97.02911	2.6
98.09757	3.0
99.00813	3.2
103.03962	4.0
105.07043	3.1
107.04958	6.2
109.02864	8.6
121.02851	5.3
121.06520	2.3
123.04431	7.5
127.03931	3.5
129.01825	3.2
135.04404	15.5
137.02330	44.4
137.03343	2.0
139.03900	5.3
144.08046	5.3
145.02867	3.7
147.04446	3.2
151.03894	3.4
161.02344	7.5
161.06038	3.5
163.03894	8.2
165.01865	5.6
175.03793	2.9
176.17447	2.6
177.01849	5.1
179.03429	3.4
180.21849	2.4
183.02916	3.1
187.03966	5.7
189.01825	16.5
191.03403	10.1
195.02979	4.2
201.01807	3.0
203.03319	17.8
205.04951	2.8
207.02908	6.6
211.03966	4.9
213.05544	2.9
215.03416	5.9
217.04974	7.6
219.02859	10.1
221.04347	2.5
227.03421	4.3
229.05020	12.0
233.04442	6.1
239.03493	3.3
245.04445	8.9
253.05013	3.2
255.02878	4.6
257.04507	10.5
259.06134	2.5
267.02859	4.9
267.06506	4.0
271.06049	9.2
283.05994	21.5
284.06763	12.3
285.04016	6.6
287.05533	3.3
295.05960	15.9
296.06833	5.5
297.07657	8.5
299.05493	24.4
300.06299	6.0
307.06058	4.6
309.07590	11.3
310.04691	35.7
311.05511	53.8
312.06226	7.4
313.07022	47.2
321.07733	4.1
323.05527	80.1
323.09021	5.9
324.06317	25.6
325.07083	19.4
329.06577	20.4
333.07516	6.2
335.05417	13.5
336.06177	4.1
337.07022	51.3
338.07770	19.3
339.08533	6.9
341.06546	65.6
345.07602	3.9
349.07071	15.2
351.04932	4.3
351.08676	17.5
352.05698	6.7
353.06549	100.0
353.10040	3.6
355.08304	4.3
361.07010	11.2
362.07816	4.2
363.08652	27.3
365.06561	25.8
367.08102	35.5
369.05905	3.3
371.07651	35.8
373.07019	5.8
377.06323	14.0
378.14322	2.8
379.08133	10.5
381.09793	30.2
383.07480	7.0
389.06494	13.8
391.08078	37.1
395.07626	82.1
401.06522	10.0
405.09961	7.8
407.07660	29.2
409.09277	7.1
415.08160	3.1
417.09906	3.0
419.07550	46.3
421.09119	4.6
425.08524	4.1
431.07785	4.2
433.09784	4.3
437.08652	58.7
443.09073	3.8
449.08853	4.4
449.39670	2.7
455.09610	14.2
461.08649	15.9
473.10773	36.2
479.09662	11.6
491.11636	22.4
497.10715	40.3
498.03540	2.7
503.09634	3.5
511.12793	3.1
515.11682	23.9
517.09863	3.0
521.10663	7.0
523.08618	8.5
527.10632	3.5
529.09283	3.3
539.11896	45.6
540.11835	3.4
541.09796	57.5
545.10486	3.3
547.10394	4.5
557.12598	5.7
559.10773	88.2
565.10583	10.9
577.10809	6.1
599.13281	4.2
625.11792	7.5
643.12921	37.7
661.13983	18.1
679.14697	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	696.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01867	0.3
55.05513	6.1
56.05042	3.1
56.49116	0.2
57.03420	0.4
57.06840	0.2
57.07081	2.4
57.80547	0.2
58.02941	0.2
58.06590	0.8
59.04994	0.2
60.04532	1.9
61.02906	0.6
65.03948	1.0
66.75219	0.2
67.04234	0.3
67.05507	10.4
68.05019	1.0
69.03427	2.0
69.07072	7.1
70.06583	1.8
71.05000	0.5
71.08260	0.3
71.08627	1.5
71.22698	0.2
71.23038	0.3
72.04521	0.4
73.02922	0.3
74.06107	0.2
76.04001	0.4
76.63482	0.2
79.05496	9.1
80.05013	3.0
81.03407	0.9
81.05811	1.3
81.07059	9.5
82.06583	7.1
83.08156	0.3
83.08619	4.4
84.08141	0.7
85.02908	3.6
85.10171	0.9
86.06071	0.3
87.04433	0.2
91.05486	7.2
93.05783	0.6
93.07048	9.2
94.06572	17.5
95.04963	0.9
95.06751	0.4
95.07352	7.0
95.08609	7.1
96.08137	5.4
97.02902	1.4
97.06550	0.4
97.10175	2.5
99.04454	0.3
105.04510	0.3
105.07038	4.7
106.06547	0.3
107.07349	0.5
107.08591	4.3
108.07428	0.3
108.08128	3.0
109.02865	0.4
109.10160	3.3
110.09691	0.3
111.08026	0.2
111.11723	0.9
116.79321	0.2
117.07024	0.4
119.08593	5.4
120.08140	0.2
121.08851	0.4
121.10146	5.4
122.09663	1.9
123.11718	1.2
124.11214	0.5
127.03897	0.8
131.08595	0.2
133.10132	3.3
134.09644	0.4
135.10437	0.7
135.11685	2.7
136.08617	0.2
136.11185	0.8
137.13228	0.6
145.04970	0.4
147.11720	1.0
149.13289	1.2
151.14804	0.4
159.99170	0.2
161.13248	0.8
163.14792	0.5
189.16495	0.2
193.19554	0.6
217.19360	0.2
219.21092	0.7
233.22661	2.8
237.22115	0.4
245.22687	4.8
247.24184	0.5
250.25320	5.7
254.24812	1.7
260.23721	0.6
262.25299	100.0
263.23218	0.4
263.25851	2.1
264.26865	0.8
272.25864	5.0
280.26373	5.2
282.24277	0.3
296.25885	0.2
304.62393	0.2
305.81845	0.2
312.25296	0.7
338.30609	0.2
359.00098	0.2
442.31491	0.8
504.47748	2.9
516.47797	22.5
517.48010	0.8
518.49347	7.3
528.21802	0.2
534.48926	4.8
677.47498	0.2
696.42773	0.2
696.54193	3.4
697.55121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69108	0.4
55.01859	0.3
56.05037	0.4
59.04984	0.5
64.31394	0.3
69.03437	0.5
70.06587	2.1
71.04977	0.4
71.49673	0.4
71.50079	0.4
72.08154	1.3
73.02573	0.3
73.02905	1.8
73.06557	2.6
75.96358	0.3
79.34058	0.3
81.03427	0.6
81.07064	0.5
84.04506	0.4
84.08149	1.1
85.02900	1.0
86.09711	1.5
87.03931	0.7
87.04470	17.3
89.06030	100.0
90.06384	0.5
91.05498	0.7
91.07562	0.8
93.07037	0.7
95.04963	0.4
97.02933	0.3
105.07044	0.4
107.04965	0.4
107.07082	1.4
107.08578	0.3
109.02865	0.7
113.06040	0.6
115.07571	0.5
117.09145	1.6
117.92820	0.3
119.04910	0.4
119.08527	0.4
120.08086	0.7
121.06563	0.4
123.04474	0.3
127.03925	0.9
129.10213	0.7
130.08658	1.0
131.07048	5.3
133.08604	60.1
134.09003	0.4
135.10124	0.4
136.07611	0.7
137.05908	0.5
139.03885	0.3
147.04395	0.4
149.06020	0.4
159.10196	0.3
161.11725	0.4
163.03934	0.5
165.05592	0.3
175.09654	2.9
177.05614	0.3
177.11218	20.1
179.12793	0.4
207.06572	0.4
219.10339	0.4
219.12285	1.0
221.13818	3.2
223.15390	0.5
265.16473	0.8
275.28561	0.3
283.17459	1.1
309.19174	0.6
327.20047	0.7
332.92746	0.3
353.21640	0.9
371.22922	0.4
493.90820	0.3
572.91882	0.3
637.24963	0.4
679.40802	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.2
57.03424	5.9
57.07066	8.7
61.02926	26.6
67.05507	77.8
69.03416	4.3
69.07076	26.3
71.04977	3.8
71.08620	7.0
71.49490	3.1
72.90091	1.9
73.02925	10.2
79.05500	23.7
81.03416	3.9
81.07060	94.7
81.07533	5.1
83.08640	20.7
85.02906	30.6
85.06525	3.2
85.10137	2.7
86.09707	2.8
88.07090	2.3
91.03973	21.8
91.05499	17.4
93.07058	22.4
95.07998	4.3
95.08611	84.1
97.02882	12.3
97.06493	6.3
97.10172	12.8
99.08095	4.3
105.07034	12.4
107.08600	19.0
109.10162	39.4
109.10862	4.2
111.08066	4.1
111.11724	3.3
113.09556	2.9
119.08580	16.0
121.10150	25.4
123.11730	21.6
125.09632	3.5
127.03915	9.9
131.08540	2.4
133.10139	18.3
135.11705	12.3
137.09607	2.6
137.13239	8.1
139.11182	2.6
141.12823	4.5
145.04993	13.0
147.11751	11.5
149.13264	8.5
151.11217	3.4
151.14813	6.2
155.14268	3.3
161.13235	13.8
163.06027	20.1
163.14825	10.1
165.16429	11.9
175.03911	2.3
175.14795	10.4
177.16348	2.3
179.17938	7.7
180.08611	2.1
180.52625	2.2
184.07375	4.6
189.16382	6.0
203.17819	3.0
210.18430	3.0
219.20975	2.1
245.22656	70.5
263.23715	100.0
264.24240	2.4
281.24857	2.6
337.27377	76.5
355.28461	16.0
499.32825	4.2
696.36395	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	695.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
53.75694	0.8
55.05500	1.7
55.41534	0.6
57.03445	0.7
61.02923	3.4
63.25214	0.7
67.05503	5.3
69.03434	2.7
69.07066	1.4
71.05006	2.2
73.02921	2.6
79.05491	5.2
81.03427	2.1
81.07063	3.8
85.02895	4.1
91.03967	2.5
91.05484	3.3
93.07055	5.0
94.09862	0.7
95.04961	0.8
95.08604	2.1
97.02905	3.7
101.02371	1.4
105.07034	1.7
107.08617	1.3
109.10181	2.5
117.07060	1.2
119.08604	2.6
121.10139	1.2
127.03960	1.8
129.06972	0.6
130.01494	0.6
133.10130	1.1
135.11731	1.7
137.09630	1.5
145.10127	1.2
147.11734	1.6
161.13272	0.8
163.11157	0.7
171.11765	1.4
177.05525	0.7
243.08496	2.1
243.16032	0.8
247.13116	0.8
330.63321	0.7
459.06372	0.6
465.20975	8.6
471.21756	5.2
527.29669	0.7
695.36163	100.0
696.36469	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.8
55.01863	3.5
55.05310	1.6
55.05519	17.9
57.03437	17.5
57.07080	1.7
59.05007	2.2
60.88467	1.4
61.02919	5.4
65.03932	2.9
67.05507	100.0
68.05845	1.8
69.03414	5.1
69.07071	17.0
70.06595	3.5
71.01330	2.5
71.04992	29.5
73.02919	1.4
79.05496	42.7
81.03421	56.3
81.06591	3.3
81.07059	53.5
83.04989	17.5
83.08621	24.9
85.02908	18.9
85.06538	7.7
86.09715	3.7
87.04498	3.2
89.28374	1.5
91.03957	3.0
91.05481	48.5
91.06030	3.2
93.06485	2.9
93.07049	43.6
94.07390	2.8
95.04975	32.8
95.08612	24.6
97.02888	6.1
97.06550	9.7
97.10175	9.5
99.04509	2.3
99.08104	2.0
105.07033	23.7
107.04935	7.1
107.08585	29.9
108.08936	1.9
109.06496	7.3
109.10161	68.4
110.10496	2.3
111.04427	3.2
111.08084	13.4
113.06036	2.6
117.07018	5.2
119.07805	3.1
119.08588	31.2
119.35964	1.5
121.06497	5.6
121.10146	16.3
123.08047	2.7
123.11705	4.4
125.09636	5.3
127.03938	1.8
129.07008	11.3
131.08562	10.9
133.06470	2.8
133.10139	17.9
135.08038	5.5
135.11702	33.9
136.12025	3.6
137.09627	13.4
142.07816	1.9
143.08597	1.8
145.05054	1.5
145.10136	10.7
147.08058	3.4
147.11696	14.4
149.09662	7.3
149.13211	1.6
151.11197	4.8
155.10646	4.6
157.10144	14.4
159.11737	1.6
163.11194	12.5
165.12766	5.8
169.12112	1.6
173.11746	7.6
175.11200	15.5
177.96852	1.6
181.12228	6.7
184.07307	9.9
193.12259	38.9
193.13916	3.2
211.13290	31.3
227.12761	2.3
228.13068	2.2
229.14380	2.7
237.14850	3.5
253.14230	1.6
255.15909	36.2
267.15915	31.2
269.17404	3.5
283.15283	2.6
284.15662	2.2
285.16977	15.7
287.18521	20.3
288.18640	2.0
421.25888	23.9
429.26346	2.0
438.25696	2.2
439.26877	62.5
447.27472	57.8
453.28217	9.4
461.29437	2.0
464.27084	2.6
465.28482	97.1
466.28604	3.2
469.20743	2.3
479.30347	10.0
493.59906	1.8
497.31107	75.3
498.31183	3.4
609.32574	3.9
694.34656	7.5
695.32025	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01868	2.0
55.05516	9.2
57.03435	15.2
59.54282	1.0
61.02930	1.6
65.03922	1.0
67.05505	36.2
68.46046	0.9
69.03411	2.3
69.07063	10.2
70.55732	2.6
71.01338	2.8
71.04993	6.3
79.05494	30.5
81.03419	49.9
81.07060	18.3
83.04986	9.3
83.08625	11.2
84.08128	0.9
85.02894	3.5
85.06546	2.0
86.09702	2.7
91.05480	22.0
92.05987	0.9
93.07046	34.1
95.04971	18.4
95.08612	8.3
95.20475	0.9
97.02885	2.5
97.06537	8.2
97.10172	8.4
105.07028	11.4
107.04944	4.6
107.08589	20.2
109.06512	3.3
109.10152	10.5
111.04425	1.7
111.08104	5.6
111.70947	1.1
112.53899	1.0
117.07061	5.1
119.08587	10.9
121.06491	2.1
121.10154	7.0
123.08072	1.8
125.00009	1.6
125.09606	1.2
129.07011	5.9
131.08583	7.0
133.06468	1.0
133.10083	5.6
135.08104	1.3
135.11694	33.8
137.09587	3.0
142.07793	2.4
145.10104	6.3
147.08076	1.4
147.11702	6.6
149.09604	3.7
153.12708	1.3
157.10074	6.8
159.11711	1.3
159.94086	1.0
163.11174	7.0
165.12788	2.1
175.11172	7.5
181.12225	7.1
184.07353	7.3
193.12241	15.5
199.13310	1.3
211.13261	4.2
255.15913	71.9
256.16360	1.4
267.15912	45.1
268.16132	1.1
285.16882	3.3
287.18542	2.5
337.21265	0.9
373.23767	2.7
381.45013	1.0
401.35614	1.0
403.24518	1.2
421.25858	8.3
439.27072	6.1
447.27423	100.0
448.06323	1.0
448.27966	2.9
465.28421	11.4
479.29904	1.8
497.31158	9.1
522.12610	1.2
582.26917	1.1
694.34644	2.3
695.32843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.05508	9.7
55.37009	0.7
55.57339	0.7
57.03441	5.8
57.07067	3.6
60.39834	0.8
60.44479	0.8
61.02925	27.0
61.94533	0.7
62.43644	0.8
65.03941	2.6
66.02045	0.7
67.05505	57.9
69.03423	3.3
69.07073	9.5
69.41402	6.2
70.31723	0.7
70.56906	0.8
71.04978	2.5
71.08627	0.8
73.02911	9.4
75.04484	1.0
79.05491	36.2
81.03423	2.6
81.07055	67.6
83.04984	1.7
83.08611	7.2
85.02905	29.6
85.06535	3.2
91.03947	24.3
91.05480	20.3
92.05791	1.0
93.07042	51.1
95.04963	3.1
95.08607	50.9
97.02893	14.6
97.06540	2.9
97.10177	2.7
99.04447	1.6
99.08074	1.8
103.76051	0.8
105.04564	0.8
105.07031	15.2
107.07883	1.5
107.08593	29.4
109.06523	0.9
109.10156	29.0
111.08058	1.5
113.09653	1.3
117.07008	8.9
119.08574	14.0
121.06468	0.9
121.10143	33.6
122.10465	1.2
123.08070	1.0
123.11703	14.9
125.09609	1.5
127.03898	8.6
131.08563	18.0
133.10123	14.7
135.11684	25.5
137.09615	2.2
137.13243	6.3
139.11157	1.7
144.35722	0.9
145.04970	12.9
145.10124	13.0
147.11688	8.4
149.13254	21.3
150.13528	0.8
151.11182	1.5
151.14851	2.6
153.12798	1.3
159.11693	13.9
161.13255	11.4
163.06021	19.7
163.14825	16.4
165.12787	1.7
173.13272	14.3
175.14830	3.2
177.12791	0.9
177.16397	6.3
179.14314	1.9
181.16014	1.0
187.14822	7.7
189.16277	0.9
191.14421	1.5
201.16420	3.3
205.15981	2.5
207.94421	0.8
215.17993	1.0
219.17303	1.2
233.22649	2.8
243.21086	32.0
261.22137	100.0
262.22440	2.4
262.59546	0.9
263.23727	2.4
279.23245	2.5
294.90750	0.9
295.65787	0.8
335.25787	18.4
353.26862	48.4
462.00488	0.9
491.12561	0.9
573.97620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05505	2.3
57.03432	1.6
61.02916	2.7
67.05492	5.0
69.03426	1.5
69.07077	1.4
70.06567	1.5
70.70650	1.8
71.04994	1.2
73.02917	2.6
73.53805	0.8
79.05483	5.0
81.03413	3.9
81.07056	5.2
83.04951	1.4
83.08619	1.6
84.16615	0.6
85.02905	3.9
86.05941	0.6
86.09698	1.0
86.17474	0.7
91.03941	1.5
91.05475	4.9
93.07037	4.5
95.04961	1.5
95.08601	1.9
97.02867	3.5
99.04460	1.0
101.02403	0.8
105.07030	2.6
107.04943	0.6
107.08600	1.3
109.06522	0.9
109.10121	1.1
119.08595	2.4
121.10148	1.1
125.09702	0.6
127.03863	1.1
129.07030	1.6
131.08560	1.1
133.10124	1.5
143.08611	0.8
145.10138	1.2
146.88858	0.6
147.11717	2.4
157.10147	0.9
158.87238	0.6
163.11223	0.7
171.11777	1.2
171.73544	0.7
184.07332	1.5
193.12292	1.5
213.87648	0.7
243.08531	1.5
251.12569	2.5
307.15073	0.9
310.12479	0.7
334.94638	0.7
390.53384	0.8
465.20941	8.0
467.21750	0.8
469.20697	4.6
553.34131	0.9
557.54156	0.7
573.32526	0.7
693.34412	100.0
694.34875	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	692.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22221	1.0
53.03938	1.6
55.01867	0.9
55.05513	16.2
57.03419	4.2
57.07069	1.3
59.04992	1.6
61.02913	3.1
64.83158	0.8
65.03932	2.5
65.25851	0.8
67.05506	65.8
69.03416	1.7
69.06738	1.0
69.07070	11.9
71.04609	1.3
71.04993	20.3
71.08698	0.8
71.49412	1.9
74.11277	0.9
74.19989	0.9
75.49047	0.8
79.05494	26.7
81.03409	3.7
81.07057	100.0
83.04976	6.6
83.08236	0.9
83.08629	11.4
85.02888	3.9
85.06538	7.8
91.05484	27.6
93.07043	32.3
95.04951	2.4
95.08611	18.1
97.02891	2.5
97.06533	8.3
97.10159	2.5
99.08079	1.9
105.07034	10.5
107.08602	21.6
109.06522	2.8
109.10172	7.5
111.08062	3.7
117.07005	7.4
119.08569	3.2
121.06498	2.0
121.10146	9.2
123.08129	1.2
123.11706	14.4
131.08582	8.1
133.10135	22.6
135.08029	1.0
135.11678	7.8
144.06581	1.1
145.10071	1.2
149.13272	12.2
151.11180	7.3
152.11574	0.9
159.11710	8.0
163.75743	1.0
169.12228	2.1
172.97185	1.0
177.12776	4.0
183.13824	2.8
187.13268	4.5
195.13809	9.9
201.14719	1.2
225.14777	1.9
239.03719	0.9
257.17517	1.6
269.17477	25.2
283.19077	1.5
301.20093	19.0
301.23499	1.2
437.29016	71.1
438.29242	2.4
451.30518	7.5
463.30557	26.8
495.33206	91.1
496.33560	1.5
613.83197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
54.39239	0.7
55.01863	0.9
55.05507	9.0
57.03430	5.7
57.07062	2.1
59.04969	0.9
61.02927	1.7
65.03931	0.9
67.05504	52.9
68.13351	0.6
69.03419	1.3
69.06728	1.2
69.07068	13.2
71.04993	18.1
73.02914	1.0
79.05489	24.0
81.03415	2.2
81.07053	81.6
82.07367	1.0
83.04977	4.3
83.08618	9.6
85.02901	2.6
85.06535	7.1
91.05481	18.1
93.07040	34.5
95.04949	2.6
95.08603	13.3
97.02879	1.5
97.06530	8.6
97.10222	1.3
99.04484	0.9
99.08069	2.1
105.07029	8.9
106.55618	0.6
107.08586	22.0
109.06519	1.6
109.10146	4.3
111.08092	3.9
113.09602	0.8
115.05527	0.8
117.07027	6.2
119.04878	0.8
119.08591	1.3
121.10136	14.8
123.11708	9.5
125.09709	0.8
127.07477	0.9
131.08586	6.0
133.10139	13.2
135.08058	1.4
135.11702	5.3
139.11180	1.9
147.11697	1.4
149.09731	0.8
149.13251	21.3
149.54517	0.8
151.11188	5.0
159.11685	8.9
169.12169	1.1
177.12784	3.2
183.13835	1.9
184.07362	0.9
187.13297	2.2
195.13805	7.5
213.14890	1.1
225.14891	1.4
257.23898	0.8
269.17487	18.5
279.55664	0.7
301.20102	9.6
339.05911	0.8
391.28342	1.0
437.28979	45.6
438.29355	1.0
451.30716	6.3
463.30539	100.0
464.30795	4.0
495.33194	35.6
496.33261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01879	2.2
55.05513	9.9
57.03436	10.4
58.01100	0.9
60.05042	1.0
61.02912	1.1
67.05504	28.9
67.05844	2.1
67.48074	0.9
69.03436	2.4
69.07055	3.8
69.84104	5.4
71.05001	3.4
75.70920	1.0
79.05489	13.9
81.03419	63.9
81.07060	17.5
82.18542	1.0
83.04980	7.1
83.08616	17.3
84.08942	1.1
85.02919	6.7
86.09686	3.4
91.05482	70.1
93.07050	12.7
95.04971	22.1
95.08617	7.1
97.02880	2.4
97.06540	2.6
97.10145	1.6
98.20782	1.7
105.07034	36.1
107.04964	5.0
107.08592	7.0
109.06532	3.5
109.10156	4.5
110.85304	0.9
111.04469	2.9
111.08083	8.5
115.05471	1.5
117.07014	3.9
119.08580	14.3
121.06508	2.8
121.10132	6.7
123.11705	1.5
124.99973	1.2
129.07025	7.6
131.08560	10.1
133.06512	2.0
133.10135	79.9
135.08061	1.5
135.11703	3.9
137.06000	1.4
137.09642	2.0
142.07797	1.8
143.08575	3.3
145.10123	2.5
147.08046	3.6
147.11691	11.3
149.09631	4.9
151.11186	6.0
157.10143	10.5
159.08055	1.2
161.09615	11.9
163.11186	3.3
165.12764	3.6
175.11179	9.8
179.10812	1.4
184.07359	7.3
193.12254	24.1
205.12230	1.4
211.13310	13.0
223.13274	1.0
224.30217	1.1
227.12779	2.3
249.14873	1.6
253.14348	52.7
255.15936	1.0
267.15915	100.0
268.16089	1.5
269.17520	1.4
285.16925	9.8
324.87048	1.1
353.21194	1.2
393.95706	1.0
445.25851	91.7
446.26385	1.4
459.27408	4.7
463.26917	6.0
471.98209	1.2
477.28418	12.9
495.29675	25.5
673.55969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.05515	7.8
56.39279	1.0
57.03444	7.4
59.05010	1.1
61.02921	2.1
63.09999	0.8
67.05138	1.3
67.05508	22.7
69.03448	1.0
69.07070	12.1
71.04985	3.9
71.37755	0.9
71.49077	1.5
71.49469	1.6
79.05499	14.7
81.03429	3.3
81.07059	62.7
83.04996	6.8
83.08627	7.5
85.02905	2.3
85.06553	3.8
86.09700	1.5
87.17099	1.2
91.03928	1.2
91.05489	18.8
91.06068	0.7
93.07060	8.8
95.04977	3.9
95.08612	13.6
97.02920	1.4
97.06540	5.0
97.10152	1.0
99.08091	3.5
101.06048	1.5
105.07043	29.7
107.04955	1.4
107.08607	10.3
109.06494	4.8
109.10171	2.2
117.07036	1.2
119.08589	23.8
121.06477	1.0
121.10150	16.7
123.08078	3.9
123.11715	26.2
127.07597	2.3
129.07019	2.7
129.10243	1.1
131.08549	1.4
133.10155	2.6
137.09595	1.5
137.13245	1.8
145.10103	1.3
147.11699	63.4
148.12033	1.4
149.09616	1.3
157.10162	3.1
165.12753	26.9
175.11224	2.7
183.13838	2.9
184.07376	4.8
193.12270	2.3
229.14429	7.8
243.82539	0.9
267.15933	76.2
268.16397	1.6
269.17664	1.0
285.16977	100.0
459.27209	2.6
462.54065	0.9
477.28549	15.4
495.29507	73.2
496.29602	2.6
693.34711	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	691.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.01859	6.1
55.05513	30.5
57.03424	13.7
57.07081	3.7
64.61149	2.8
65.03923	5.7
67.05511	78.1
69.03442	22.3
69.07065	25.6
71.04980	7.8
71.50182	3.5
73.02914	3.4
74.10746	3.2
77.11181	3.4
79.05490	46.3
81.03417	39.4
81.07057	100.0
83.04986	26.3
83.08616	18.7
85.02895	7.6
85.06540	8.3
86.09692	9.8
87.10026	4.1
89.71841	2.8
91.05483	45.3
93.07048	70.7
93.07624	4.1
95.04955	13.2
95.08611	51.2
97.02895	14.5
97.06525	10.4
97.10130	4.5
99.04450	4.8
103.03907	3.1
105.07043	27.2
107.04950	7.6
107.08607	31.9
109.02814	4.2
109.06478	5.3
109.10146	18.8
111.04425	7.0
117.07005	20.5
117.81634	2.9
119.08591	24.6
121.06480	6.3
121.10129	29.1
123.08064	3.5
123.11702	9.8
125.00011	3.2
127.03944	4.2
129.05510	16.7
129.07014	11.2
131.08574	26.9
133.10146	21.7
135.08031	5.8
135.11711	21.2
142.21365	2.9
143.08524	12.2
145.06509	4.0
145.10114	19.0
147.11697	18.5
149.13293	18.7
151.07481	3.0
155.08604	5.2
157.10106	9.8
159.11717	19.1
161.13223	5.9
163.11241	4.8
165.12761	5.4
167.08678	2.8
169.10165	4.8
171.11700	8.8
173.13219	6.5
177.12781	7.5
183.11694	3.3
184.07359	36.0
185.07690	7.7
185.13289	3.2
187.14810	5.1
193.12416	3.2
195.13788	10.6
197.13249	3.6
247.16809	4.2
256.75970	2.9
261.22192	10.1
267.15948	7.2
269.17444	23.8
275.16214	3.6
281.83051	3.0
285.16916	4.2
293.17682	3.5
301.21597	5.7
310.33911	4.3
335.25830	28.7
339.17984	4.9
369.24240	4.5
387.25394	3.8
405.26187	4.6
413.21658	6.8
442.64307	3.0
479.29782	5.7
519.36792	6.7
529.38898	51.8
537.77368	3.6
620.12720	3.4
673.42615	12.5
691.42615	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	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
53.03944	11.9
55.01864	3.1
55.05513	18.2
57.03436	5.9
57.07077	4.3
59.05002	1.7
65.03945	5.3
67.05505	100.0
69.03435	21.0
69.07066	14.8
71.04993	56.5
71.08628	1.2
79.05492	55.2
81.02938	2.7
81.03419	53.8
81.07055	56.1
82.07382	1.7
83.04987	13.2
83.08625	6.7
85.02896	7.5
85.06564	3.6
86.09711	3.1
87.04443	1.7
89.06062	1.6
89.90704	1.3
91.05482	54.1
93.07046	68.9
94.07372	1.6
95.04959	11.1
95.08610	40.5
97.02892	15.1
97.06512	7.3
97.10152	2.1
99.04456	5.7
99.08109	3.7
105.04543	4.1
105.07037	23.5
106.07343	1.7
107.04968	4.7
107.08595	30.5
109.02885	11.4
109.06528	5.5
109.10162	52.6
111.04462	5.8
111.08099	4.7
112.35129	1.3
113.06069	2.2
115.05493	1.8
117.07016	11.9
119.06088	1.5
119.08584	26.4
121.06541	3.8
121.10132	18.8
123.04483	2.6
123.08076	2.5
123.11709	3.4
125.06019	1.7
127.03912	9.1
128.06198	1.4
129.05504	4.1
129.07043	5.0
130.07777	1.9
131.08575	14.3
133.06557	2.3
133.10138	17.3
134.81998	1.9
135.08076	1.8
135.11694	27.7
137.09625	15.7
143.08600	3.9
145.06488	1.6
145.10143	14.1
147.04453	2.2
147.08119	2.1
147.11732	7.1
147.12799	1.4
149.09648	2.6
149.13290	4.1
151.11203	2.4
155.08545	2.2
155.10680	6.8
157.10164	3.8
159.08076	2.8
159.11671	7.5
161.09605	1.6
161.13338	2.4
163.03937	4.0
163.11221	8.8
165.05501	1.9
169.10178	1.4
169.12299	5.5
171.11757	2.5
173.04445	12.1
173.11772	13.0
173.13293	5.6
175.03972	5.6
175.11230	2.8
175.14853	3.0
179.10722	3.0
181.12206	7.5
184.07350	4.3
187.13359	6.9
187.14897	2.3
195.11757	1.9
211.13342	2.2
227.16505	2.3
229.14465	1.4
229.37862	1.9
235.13373	1.7
243.15985	4.7
255.15952	2.6
259.20432	1.5
261.22083	4.3
269.17603	2.5
287.18570	2.3
307.15421	2.0
313.21759	1.5
313.27399	3.8
325.16415	7.3
335.25836	3.7
349.27390	4.8
351.23309	3.5
369.24423	4.0
381.19168	2.6
387.25452	2.3
405.26608	1.7
413.21799	2.9
461.28836	1.6
489.35721	3.0
503.37244	8.7
519.37439	1.5
529.37994	3.9
547.39838	3.3
560.42908	1.6
611.12781	1.6
629.69598	1.5
641.39648	1.5
655.42224	2.3
659.41949	6.4
673.42645	2.8
691.44073	64.1
692.44244	4.4
703.15997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01862	0.5
55.05510	2.2
57.03435	1.6
57.07059	0.6
61.02929	4.1
64.83912	0.3
65.03947	0.5
67.05505	10.6
69.03427	4.2
69.07080	1.4
69.16296	3.8
71.01362	0.5
71.04986	1.6
73.02923	4.1
79.05492	4.1
81.03417	3.1
81.07053	6.0
83.04996	0.8
83.08623	1.1
85.02904	4.4
86.09728	1.2
86.65405	0.3
87.04427	0.5
88.76787	0.4
91.03957	3.4
91.05481	3.4
93.07045	5.7
95.04961	0.7
95.08612	4.5
96.08979	0.5
97.02892	4.8
97.06490	0.5
98.21487	0.7
99.04460	1.0
101.02381	1.6
105.07026	2.1
107.08607	2.7
109.02888	1.4
109.10147	6.4
111.04347	0.5
117.07036	1.3
119.08591	2.4
121.06493	0.5
121.10173	1.9
123.11720	0.6
125.00031	1.4
125.09671	0.4
127.03922	1.5
129.07028	0.4
129.36115	0.4
131.08588	1.0
133.10132	1.2
135.11700	1.8
137.09653	0.8
145.10165	0.8
147.11662	0.7
159.11813	0.6
161.13330	0.5
171.11740	0.5
173.11714	0.5
184.07344	6.7
185.04236	0.6
185.07687	1.1
186.07799	0.9
201.16541	0.4
203.05334	0.5
229.14456	0.4
243.08429	1.6
261.22369	0.5
335.25903	1.0
413.17813	4.2
519.29230	8.3
519.36230	0.7
529.38507	0.8
550.41827	1.5
691.40271	100.0
692.40735	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	691.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27539	1.3
53.00298	2.0
53.03935	4.9
55.01865	4.9
55.05511	9.2
65.03941	17.4
67.05505	40.2
68.99779	2.7
69.03432	26.3
70.06575	1.3
71.01353	3.1
71.48044	2.0
75.41609	1.2
83.04982	74.7
85.02442	2.0
85.02911	17.0
87.00810	3.9
93.03403	22.9
95.04971	72.1
96.62327	1.1
97.02880	4.3
99.00820	26.4
101.02384	1.6
101.06075	2.5
102.83501	1.4
103.28913	1.3
105.04516	1.5
107.04920	2.6
111.04446	100.0
115.03937	2.2
117.01857	4.9
117.03355	1.7
121.02857	11.6
123.04435	3.5
129.05490	37.1
135.04401	6.1
139.03902	42.7
145.02838	3.3
145.49535	1.2
147.04396	1.4
147.06519	5.0
157.04959	46.0
163.03920	26.7
175.05998	6.9
205.06538	2.3
209.04489	3.6
223.07607	2.0
227.05449	10.9
233.06027	2.4
244.07350	4.8
245.06595	2.2
251.07063	5.9
255.04973	2.2
263.83539	1.3
269.08252	2.0
273.06076	29.3
279.06555	7.3
283.05942	2.0
297.07526	6.7
307.06036	1.9
325.07196	7.3
337.09222	14.8
401.10916	9.4
429.10361	14.9
447.11349	82.3
448.11728	1.9
499.11758	2.1
641.12048	1.5
691.21924	1.6
701.04291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56111	0.5
53.03935	0.9
54.70045	0.4
55.01874	0.7
55.05499	1.7
57.03418	1.3
60.08178	0.4
61.02929	3.4
67.05502	4.0
69.03425	2.5
69.07059	1.3
70.06577	0.5
73.02917	3.2
79.05495	5.4
81.03394	2.4
81.07064	3.9
81.39668	0.5
82.65025	0.4
83.04951	0.7
83.08607	1.3
85.02907	3.2
86.09689	1.7
91.03933	1.6
91.05478	3.8
93.07043	6.2
95.04945	2.0
95.08614	4.0
97.02885	3.1
97.06536	0.8
97.10160	0.5
99.04465	0.7
101.02377	1.2
105.07034	3.9
107.04951	0.7
107.08584	2.9
109.02861	1.0
109.10151	0.9
117.07027	1.1
118.54289	0.5
119.08595	2.6
121.10154	1.3
124.99997	1.1
127.03912	1.5
129.06995	0.9
131.08574	0.8
133.10133	1.2
133.98251	0.5
135.11702	3.4
143.08530	0.6
145.10126	2.2
147.11638	2.4
148.20316	0.5
149.02364	1.8
149.03438	0.5
149.06013	0.5
150.02637	0.8
161.09683	0.5
161.13307	0.7
163.11214	4.2
163.38678	0.4
171.11749	1.4
181.12163	0.6
184.07330	3.9
185.04250	0.5
185.07619	0.6
193.05005	0.8
203.05434	0.8
227.12816	3.0
243.08479	2.5
247.13081	0.5
249.10960	7.4
281.17545	0.6
305.13641	2.0
305.19754	0.4
462.30136	0.6
465.21024	7.9
467.18854	8.2
474.14932	0.6
633.88098	0.4
689.65894	0.5
691.32959	100.0
692.33203	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.3
53.03947	4.2
55.01873	3.5
55.05270	0.8
55.05510	10.1
56.96298	0.6
56.96568	8.4
57.03431	1.4
57.05811	0.6
65.03616	1.0
65.03942	17.3
67.01855	0.7
67.05506	39.0
68.99789	2.4
69.03432	24.2
70.06585	3.2
71.01363	1.3
71.49108	0.6
71.49494	0.6
73.02908	0.6
77.03941	0.8
81.03423	1.4
83.04980	69.5
84.05339	0.5
84.96029	1.7
85.02905	17.7
86.06074	0.8
86.09703	0.8
87.00806	2.7
87.04517	0.9
93.03404	24.9
95.04969	52.5
97.02866	4.2
98.97590	8.1
99.00816	19.9
99.04427	0.8
101.02380	2.2
101.06023	2.5
105.04504	2.1
107.04933	0.6
109.02895	0.8
110.97553	4.4
111.04443	88.8
112.99162	0.9
113.02372	0.6
115.03941	2.3
116.22268	0.6
116.98626	2.0
117.01848	3.5
121.02868	11.4
123.04441	2.1
127.03917	0.9
128.98631	2.3
129.05484	33.6
131.00203	0.7
135.04414	1.3
139.03906	36.5
140.98553	0.9
143.00203	1.6
144.08092	4.3
146.99643	0.7
147.04404	1.0
147.06508	3.3
157.04968	34.2
158.99626	1.2
161.01244	1.9
163.03897	5.6
170.99667	1.1
175.03899	0.6
175.04613	0.7
175.06004	5.9
177.00650	1.0
177.05464	0.8
189.00795	0.8
191.00175	1.0
191.03400	0.5
195.03368	1.2
201.00694	0.8
205.06602	1.0
209.04443	3.5
212.10297	0.5
213.04318	1.2
219.01761	4.3
221.01155	3.9
221.07986	0.9
223.07639	1.4
227.05464	8.4
233.06015	1.7
237.02789	3.7
239.02232	6.9
244.07230	1.3
245.06598	1.7
251.06953	1.5
255.05009	2.0
257.03345	2.4
263.02295	1.0
269.08066	1.0
273.03040	1.1
273.06039	22.7
279.06540	4.3
281.03445	0.6
291.07184	0.6
297.07620	2.3
307.05548	0.7
325.07187	2.9
343.08389	0.6
347.04306	0.7
359.08206	0.6
365.05447	35.7
366.05771	1.2
383.06396	2.1
383.10651	1.1
393.17892	0.7
401.10822	10.5
401.15701	1.0
419.12064	0.7
424.88782	0.6
429.10339	17.0
429.16208	1.1
447.11353	100.0
448.11740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36364	1.2
53.00290	1.8
53.03934	4.7
55.01859	2.7
55.05512	8.8
65.03940	16.0
66.01987	1.0
66.59218	1.1
67.05503	36.5
68.99784	1.6
69.03425	27.4
70.89848	2.3
71.01338	2.9
71.04937	1.1
81.03397	1.4
83.04979	69.4
85.02901	16.4
87.00819	5.1
90.78085	1.1
93.03400	26.0
95.04967	55.8
97.02869	4.9
99.00209	1.9
99.00813	28.2
101.02366	1.6
101.06005	2.2
105.04488	2.5
111.04440	99.1
115.03903	1.6
116.50641	1.2
117.01852	3.6
121.02862	11.6
123.04411	2.0
129.05476	35.9
135.04411	2.4
139.03899	39.3
147.06500	5.8
157.04951	38.2
163.03934	6.9
175.05994	7.5
181.06517	1.3
196.57144	1.1
209.04404	3.6
223.07686	2.5
227.05428	9.0
227.13734	1.3
233.06001	1.8
244.07378	5.5
245.06459	3.2
251.06941	2.9
255.04893	2.4
256.69641	1.2
266.22598	1.3
269.08063	2.7
273.06039	23.3
279.06531	4.7
297.07565	5.6
307.05981	2.3
325.07068	4.7
337.09329	3.5
347.79874	1.4
383.09811	2.8
401.10809	14.7
411.09091	1.3
429.10257	20.6
447.11337	100.0
448.11710	2.1
499.12033	1.6
597.59277	1.3
696.51776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26755	0.6
53.03952	1.0
53.45225	0.6
53.53491	0.7
55.05518	8.3
57.03438	14.2
57.07079	17.6
59.04985	0.8
61.02907	1.5
65.03918	0.9
67.05509	27.7
69.03427	0.8
69.07071	11.0
71.01333	2.5
71.04993	3.3
71.08636	14.9
73.02921	1.4
79.05495	21.2
81.03406	3.3
81.07059	15.7
83.04990	4.6
83.08628	7.9
83.90734	0.7
85.02885	1.9
85.06532	2.0
85.10194	8.2
86.09679	2.5
90.59834	0.7
91.03959	1.0
91.05479	7.4
93.07050	25.3
95.04959	2.4
95.08613	15.2
97.02881	1.8
97.06545	6.2
97.10188	9.5
98.21553	1.1
99.08119	0.9
105.07011	2.1
107.04970	1.2
107.08602	17.7
109.02866	0.6
109.10163	7.4
111.08086	1.4
117.07029	2.0
119.08573	3.0
121.06519	1.0
121.10143	3.4
123.11692	1.3
124.99981	1.9
125.09637	1.2
133.10135	2.9
135.11693	30.9
137.09590	0.7
145.10153	5.6
153.12761	1.5
163.11208	5.5
181.12280	7.9
184.07335	8.8
199.13313	1.9
203.17195	0.7
213.37607	0.8
239.23601	1.1
246.90472	0.7
255.15919	100.0
256.16330	1.1
257.24527	0.9
278.87527	0.7
313.27365	42.7
316.24783	0.7
349.49307	0.9
353.29987	0.8
388.74268	0.8
431.61731	0.7
493.38901	71.9
494.39093	1.2
511.02774	0.7
555.93341	0.9
623.00446	0.8
668.17188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.00311	3.3
53.03945	5.1
55.01885	3.2
55.05265	1.0
55.05510	10.8
57.03423	0.6
59.16772	0.5
63.85041	0.5
65.03944	15.9
67.05505	36.2
68.99785	2.3
69.03432	24.2
70.73528	1.6
71.01333	1.6
73.02927	0.8
75.24242	0.6
77.03928	0.8
81.03407	1.5
83.04983	78.1
85.02908	15.6
87.00826	2.5
87.04465	0.8
93.03407	26.8
95.04970	63.6
97.02879	3.8
99.00820	22.2
101.02398	1.8
101.06028	1.9
104.86603	0.6
105.04535	2.3
106.84037	0.6
108.16200	0.6
109.02857	0.6
111.04445	95.7
112.04784	0.9
113.02330	1.1
115.03949	1.7
117.01849	3.8
121.02874	11.7
123.04436	1.3
129.05481	34.9
135.04376	1.0
136.28525	0.5
139.03906	39.9
147.04509	0.8
147.06496	4.2
157.04964	37.9
163.03900	3.6
175.06029	6.7
181.06467	0.8
187.03856	0.9
193.76671	0.6
200.42355	0.7
205.06435	0.7
209.04436	3.9
223.07553	1.5
227.05487	11.1
227.07498	0.9
233.05891	0.8
244.07310	1.4
245.06575	1.9
251.07094	2.1
251.48582	0.7
255.05040	2.0
269.08160	1.5
273.06055	24.7
279.06424	3.4
283.05887	1.2
291.07022	1.1
297.07578	2.9
309.67953	0.7
320.47458	0.7
325.07126	2.8
370.58542	0.8
383.09802	2.2
401.10843	9.1
419.11740	0.8
429.10272	16.8
447.11362	100.0
448.11719	2.0
499.12613	0.8
560.88971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01867	2.1
55.05507	7.6
57.03444	3.6
57.33075	1.6
64.90804	1.5
65.03933	2.5
65.37822	1.7
66.48779	1.5
67.05505	50.9
69.03423	3.2
69.07066	11.9
71.04987	12.5
71.49414	1.7
74.77064	1.6
79.05499	36.9
81.03421	7.2
81.07059	28.4
83.04978	9.2
83.08616	5.3
85.06522	3.3
86.09708	3.6
91.05486	29.0
93.07047	35.7
95.04955	10.2
95.08608	16.2
97.06537	4.4
97.10158	4.2
105.07027	17.5
107.08588	13.1
109.06545	2.8
109.10154	24.5
111.04455	1.8
117.07012	5.3
119.08584	16.6
121.06575	1.9
121.10146	5.3
123.08072	3.4
127.03947	2.3
128.06218	2.0
129.06998	7.2
131.08560	4.6
133.10152	8.1
135.11710	9.3
137.09642	5.3
142.64960	1.8
143.08569	4.6
145.10162	8.8
147.11702	16.6
149.09572	2.5
151.11134	2.6
155.10638	1.9
157.10020	1.8
161.13287	2.3
163.11139	2.6
170.15088	1.7
171.11670	9.3
173.11722	2.8
175.11292	1.8
181.12199	1.9
184.07372	4.7
189.12750	2.9
207.13826	10.1
243.15831	1.9
255.16000	6.0
267.15900	6.1
269.17505	4.8
281.17447	14.3
287.18542	6.0
435.27365	31.8
443.27734	4.1
449.29001	4.1
461.28998	100.0
462.29343	4.2
493.31653	23.0
643.16980	1.8
660.04492	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	690.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01862	2.5
55.05516	18.9
57.03435	10.7
57.07076	4.6
57.93707	2.0
58.57465	2.1
59.04988	4.5
59.17031	1.8
61.02928	3.4
65.03919	1.8
65.46449	1.8
67.05183	3.3
67.05509	39.0
67.69110	2.1
69.06796	1.6
69.07076	18.7
70.06569	2.9
71.04968	3.7
71.49241	2.3
71.49607	2.0
71.58505	1.7
73.02944	2.4
79.05499	20.9
81.03416	5.2
81.07056	45.4
83.04988	5.5
83.08625	25.1
85.02910	4.5
85.06523	2.1
86.09689	2.1
89.06026	8.1
91.05486	22.0
93.07045	33.8
95.04966	6.7
95.08606	11.7
97.02889	4.2
97.06512	8.9
97.10167	6.5
99.00807	10.3
99.08078	2.1
99.85754	1.7
101.05990	2.4
105.07027	14.5
107.04938	6.5
107.08610	17.7
109.02876	7.3
109.06533	2.9
109.10149	4.5
111.08069	6.0
117.07026	8.8
119.08572	6.1
120.08237	2.0
121.06517	5.4
121.10168	10.3
123.04474	2.7
123.11731	2.6
127.03824	1.9
131.08534	5.8
133.06421	2.0
133.08589	6.9
133.10143	27.5
135.11702	4.4
139.07504	3.2
143.08572	4.0
147.11763	2.6
149.13268	14.4
151.11197	7.5
157.15910	1.9
159.11649	5.4
161.09627	12.7
165.10199	1.7
171.08022	2.6
177.11200	4.7
177.12781	2.7
179.10719	5.3
184.07318	3.2
189.09097	5.0
195.13812	8.4
225.11186	6.2
269.17465	61.7
281.13843	5.4
299.14844	36.6
355.56931	2.0
441.68683	2.2
461.29086	3.1
493.27997	100.0
494.27979	5.2
690.34595	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	690.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23779	0.7
53.03939	2.7
55.01862	2.7
55.05514	9.8
57.02129	0.6
57.03446	6.1
57.46767	0.6
65.03926	1.4
66.75487	0.6
67.05180	1.2
67.05505	13.8
69.03419	2.8
69.07065	5.1
69.95751	3.2
71.05000	3.3
73.02924	1.2
77.03959	0.6
77.55197	0.7
79.05020	0.9
79.05488	21.8
81.03420	28.2
81.06593	1.1
81.07059	18.2
83.04986	7.4
83.08618	14.9
85.02432	1.2
85.02898	12.0
85.06534	0.9
86.09693	2.0
87.04479	0.9
91.05480	16.2
93.07044	25.5
95.04971	16.4
95.08604	26.5
97.02888	3.2
97.06516	4.1
97.10155	2.1
99.04438	2.7
105.07035	11.1
107.04955	6.6
107.08599	19.5
109.06527	3.2
109.10159	2.3
111.04436	3.0
111.08078	5.8
113.05977	1.1
115.05427	1.0
117.07009	4.7
119.08588	12.4
121.04141	0.7
121.06502	3.7
121.10146	12.2
123.08070	1.1
123.11674	1.5
124.99960	0.7
125.05978	2.1
125.12179	0.7
128.06198	0.7
129.07034	5.6
130.07793	1.1
131.08557	4.6
133.06526	1.0
133.10124	5.5
135.08052	2.0
135.11690	30.5
137.09564	0.9
142.07773	1.0
145.10118	20.2
147.08000	2.0
147.11700	7.8
149.09621	2.8
157.10127	6.4
163.11182	39.7
165.12749	1.6
173.09599	0.9
175.11214	6.6
181.12225	7.9
184.07367	2.8
189.78836	0.7
193.12244	20.8
203.08754	0.7
209.11696	1.0
211.13287	20.8
216.82204	0.8
227.12785	45.0
267.15912	22.5
283.15387	44.3
283.18573	1.6
285.16968	31.3
475.26926	27.8
476.27438	1.7
493.27969	100.0
494.28360	3.6
510.92542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01859	3.2
55.05268	1.2
55.05511	15.9
55.32868	0.7
56.17685	1.0
57.03439	11.2
61.02919	1.3
65.03944	1.8
67.05504	22.8
69.03438	4.1
69.07066	8.6
69.10161	0.7
70.06580	2.2
70.20294	2.7
71.04996	4.1
73.02905	2.4
79.05492	31.8
81.03420	36.6
81.07057	28.6
83.04977	12.2
83.08159	1.5
83.08624	20.4
84.08123	1.0
85.02906	16.1
85.06532	1.2
86.09701	1.2
89.76512	0.9
91.05480	24.3
93.07045	39.0
95.04968	20.6
95.08608	35.9
97.02888	6.9
97.06544	6.1
97.10162	2.6
99.04462	3.9
105.07030	16.8
107.04955	10.8
107.08591	29.7
109.06538	5.4
109.10168	5.3
111.04437	2.9
111.08086	6.1
113.06004	1.4
117.07021	8.7
119.04936	0.9
119.07813	1.4
119.08593	19.7
121.06496	6.7
121.10144	15.5
123.08083	2.1
123.11741	1.1
124.56113	0.8
125.05978	2.8
125.09611	1.1
127.03965	1.2
129.06993	7.6
130.07771	1.1
131.08575	7.4
133.06488	1.6
133.10133	9.4
135.08057	1.9
135.11690	47.8
137.05943	0.8
137.09634	1.1
139.07567	2.1
142.07788	1.3
143.08571	1.1
145.10126	28.3
147.08043	2.0
147.11690	9.1
149.09602	3.1
151.11189	0.8
153.12793	0.8
157.10120	9.1
159.11771	0.7
163.11177	63.2
165.12772	2.6
167.07076	1.3
173.09662	1.4
174.87564	0.7
175.11172	8.9
177.65848	0.7
181.12222	11.1
184.07361	1.8
191.10503	1.0
193.12236	24.3
197.43158	0.8
207.06514	0.7
209.11732	2.2
211.13295	34.8
227.12779	69.6
228.13155	1.0
249.14708	0.8
262.00854	0.7
267.15906	26.1
267.18622	1.5
268.16104	1.1
283.15393	62.0
284.15747	1.4
285.16965	52.1
286.17365	0.8
362.98285	0.7
475.20197	1.6
475.26953	30.8
476.27206	0.8
493.27957	100.0
494.28311	4.5
528.87482	0.8
534.19379	0.9
542.21545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.9
57.03439	3.2
57.07079	100.0
58.04213	12.5
59.05008	37.3
64.19489	2.0
67.03314	1.8
67.05511	5.8
69.07063	6.9
71.04981	3.5
71.08634	70.2
72.05782	16.7
73.02899	10.0
73.06554	27.2
79.05473	3.2
81.07053	7.1
82.07796	2.5
83.08639	4.9
85.10187	57.5
87.04473	32.3
88.05241	4.1
89.06034	39.1
90.01919	60.9
91.05456	2.3
93.07054	3.7
95.08613	4.8
97.10185	6.1
97.62376	1.7
99.11703	9.5
101.06009	5.2
102.06815	2.3
103.07583	20.9
107.07079	2.3
109.10147	2.3
113.13258	3.9
116.08342	4.6
117.09145	20.3
123.11748	2.2
130.08633	1.9
131.07063	4.0
133.08586	16.3
147.10127	3.5
152.15628	3.7
155.17966	4.7
161.08621	2.2
161.11768	5.6
164.78017	1.9
165.11298	2.3
168.61224	2.2
177.11266	8.9
178.07118	6.6
179.12859	2.8
183.17450	5.2
184.07362	8.9
194.13980	2.4
196.18303	2.1
208.15477	4.6
209.13750	2.1
212.21361	3.0
213.22197	4.0
222.09686	10.6
222.16974	5.2
223.15300	2.5
241.15242	2.9
252.18240	4.6
254.16087	2.8
257.24774	3.1
266.12268	4.6
266.19638	6.2
268.17673	4.0
282.19220	4.6
285.17813	3.6
296.20728	6.9
310.22253	8.8
312.20462	3.0
319.24542	2.6
340.23322	5.3
354.24777	4.4
362.32904	5.1
370.24548	3.1
406.35352	9.1
440.97177	2.5
450.37790	8.7
511.38510	2.6
538.43195	23.6
554.42694	4.2
582.46021	3.2
598.45337	4.5
689.29340	6.1
689.47925	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
53.03942	13.8
55.01861	8.4
55.05515	29.1
57.03428	10.0
57.07065	4.8
65.03936	7.7
65.65968	2.0
67.05505	75.3
69.03091	3.1
69.03436	41.6
69.07076	16.5
71.04977	7.1
71.50778	5.2
72.81059	2.5
72.96119	2.2
79.05494	71.6
81.03421	100.0
81.06593	5.0
81.07054	72.7
83.04989	23.5
83.08628	33.4
85.02898	22.2
85.06541	4.9
86.09685	3.3
87.04459	3.3
89.05965	2.8
91.05486	67.5
93.07045	68.1
95.04971	42.9
95.08067	3.8
95.08615	47.6
97.02907	15.1
97.06530	5.6
97.10155	10.1
99.04452	5.3
103.03938	3.6
103.05438	3.8
105.04504	3.5
105.07030	43.8
107.04951	11.7
107.08596	32.3
109.02886	16.1
109.06503	6.4
109.10166	17.9
111.04430	14.1
111.08064	10.3
115.05441	6.0
117.07032	18.3
119.08585	35.6
121.06528	6.1
121.10149	33.7
123.04399	8.0
123.08069	7.0
123.11697	6.3
125.00019	3.4
125.09607	6.3
127.03907	6.2
128.06268	4.5
129.07011	17.0
131.08589	26.3
133.06468	6.7
133.10112	21.9
135.08069	5.1
135.11697	17.2
137.09590	4.2
141.06966	3.4
142.07756	3.6
143.08569	5.9
145.10120	17.6
147.07977	4.2
147.11694	23.9
149.06023	3.7
149.09641	8.0
149.13257	7.3
153.12851	3.3
155.08539	5.3
157.10161	14.0
159.08011	3.4
159.11703	9.2
161.09618	3.9
161.13252	5.8
163.11195	12.0
165.12811	4.0
169.10219	2.6
171.08093	3.2
171.11700	4.8
173.09570	3.5
173.13226	5.8
175.11157	15.3
181.12093	3.3
183.11696	4.1
184.07352	11.2
185.13235	3.4
191.10687	4.3
193.12236	50.2
206.53163	2.5
211.13287	66.8
227.12706	5.1
229.14262	4.4
235.13268	7.7
249.14714	3.3
259.13174	3.7
261.22223	6.3
267.15936	4.4
273.14645	2.9
285.16928	8.0
301.14316	7.8
301.21628	2.7
315.78442	2.8
317.24606	3.8
321.16187	3.0
335.25616	9.4
351.23184	5.7
355.17480	10.7
369.24286	6.9
372.81778	2.4
387.25211	5.9
411.19803	5.1
461.28922	2.8
493.39282	3.1
545.38367	5.9
653.39893	6.6
671.41046	7.3
689.42511	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	2.6
53.03950	13.9
55.01862	8.2
55.05509	33.0
57.03427	11.8
57.07076	5.4
61.94162	2.4
65.03950	6.1
67.05506	78.6
68.39257	3.1
69.03427	39.7
69.07067	18.4
69.73947	2.6
70.62641	3.6
70.62988	5.5
71.04978	8.7
77.54092	2.6
78.26882	3.0
79.05492	73.6
81.03416	100.0
81.06596	5.4
81.07057	82.1
83.04980	22.6
83.08614	27.3
85.02907	25.0
85.06539	4.3
86.09695	2.9
87.04438	3.1
91.05478	72.0
93.07043	71.3
95.04382	3.6
95.04967	46.8
95.08612	49.0
97.02898	17.6
97.06532	7.6
97.10154	8.6
99.04461	5.6
103.05444	3.1
105.07026	63.0
107.04955	10.2
107.08598	35.9
109.02880	19.1
109.06515	11.2
109.10163	23.4
111.04428	20.4
111.08078	9.5
113.05981	3.7
115.05449	4.2
117.06998	22.8
119.08589	49.2
121.06486	9.6
121.10132	27.8
123.08044	6.1
123.11708	3.6
124.99960	3.9
125.05970	2.6
125.09642	4.4
127.03905	10.5
128.06200	4.3
129.05472	3.8
129.07022	23.4
130.07675	2.5
131.08588	32.6
131.09579	4.2
133.06494	4.6
133.08626	4.2
133.10126	27.6
135.11693	18.8
137.13297	3.6
141.06987	2.9
142.07761	7.3
143.08609	13.7
145.06512	4.7
145.10132	14.8
147.08031	5.9
147.11690	26.5
149.05989	3.2
149.09610	10.6
149.13258	6.6
155.08553	7.7
157.10120	22.3
159.08124	3.1
159.11705	10.9
161.09592	5.4
161.13257	9.6
163.11186	7.7
165.12791	6.9
169.10146	5.9
171.11667	7.7
173.13264	6.8
175.11180	19.8
181.12160	5.6
183.11649	2.9
184.07376	8.9
185.09608	3.3
187.14711	3.7
189.11230	3.3
189.12830	4.4
191.10696	6.0
193.10632	1.8
193.12247	52.7
199.14798	2.8
201.12875	2.9
207.11662	3.0
207.13736	3.7
211.13277	81.2
211.15237	4.8
213.12762	3.8
227.12788	6.9
229.14281	3.8
233.15262	2.7
261.22110	6.2
263.20612	2.6
265.14157	3.1
267.15948	5.3
277.21646	5.6
283.15479	3.7
285.17032	15.8
301.14316	3.2
301.21591	7.0
315.23160	4.4
335.25772	9.8
337.16547	4.1
345.24243	4.1
351.23184	12.5
355.17477	7.3
369.24234	17.7
387.25119	9.7
411.20340	5.2
425.26566	3.1
443.27649	5.3
461.28928	10.2
462.91730	3.0
527.37122	4.1
545.38013	8.3
603.85596	3.1
611.38879	2.8
653.40326	12.0
671.41827	15.3
689.42523	82.8
690.42902	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93143	1.8
53.03948	13.2
55.01867	7.7
55.05270	2.9
55.05511	31.2
57.03443	12.3
57.07079	23.4
57.23123	1.9
58.07394	3.3
59.04987	3.6
61.32531	1.7
65.03940	7.8
67.05506	67.9
69.03429	33.6
69.07070	20.9
69.37808	4.4
69.38212	12.0
71.01352	1.8
71.04997	9.2
71.08634	13.8
71.52773	1.9
72.08952	3.1
73.06561	2.3
77.03902	2.9
79.05492	65.4
81.03419	100.0
81.07056	67.1
81.07535	3.6
83.04980	22.7
83.08622	28.1
85.02898	21.4
85.06544	3.4
85.10192	14.3
87.04462	6.2
89.06030	33.0
90.06377	4.6
91.05482	58.9
93.07045	70.9
95.04970	33.8
95.08602	39.9
97.02877	16.6
97.06544	9.8
97.10160	6.3
98.21528	3.2
99.04466	6.4
99.11771	1.9
103.07610	2.3
105.04527	2.4
105.07030	44.1
107.04947	8.8
107.08598	34.3
109.02886	14.0
109.06511	7.4
109.10165	18.9
111.04436	14.6
111.08068	13.6
113.06002	2.6
115.05466	4.4
117.07021	15.7
119.08588	39.3
121.06524	6.4
121.10139	28.8
123.04472	3.3
123.08065	3.7
123.11698	4.4
125.09634	4.7
127.03880	10.8
127.94128	2.0
128.06255	3.1
129.05557	2.3
129.06978	15.5
131.08577	24.5
133.06482	5.8
133.08609	24.7
133.10121	19.0
134.08992	4.0
135.08098	2.4
135.11688	16.9
136.13579	2.1
137.09622	2.7
141.07033	2.9
142.07788	5.1
143.08580	8.4
145.10127	16.8
147.08076	6.3
147.11696	26.2
149.09612	10.5
149.13268	5.7
153.12798	2.8
155.08592	3.1
157.10121	16.6
159.08092	2.2
159.11655	10.3
160.58960	1.7
161.13322	6.9
163.11247	6.8
163.14838	2.8
165.12766	4.3
167.08525	2.3
169.10139	3.9
171.07896	2.0
171.11694	4.6
173.09637	4.4
173.13306	6.2
175.11171	16.6
177.11258	9.2
181.12241	5.7
184.07404	7.5
185.07956	2.2
185.13248	3.4
187.11087	3.0
187.14885	2.4
189.11182	2.3
191.10667	4.3
193.12250	56.8
195.11847	2.1
197.13326	2.8
199.14906	3.0
203.14284	2.2
211.13286	83.9
211.15291	4.2
227.12788	3.9
229.14259	2.9
239.10999	2.1
243.11655	2.0
249.15004	3.7
251.59874	1.9
259.13324	2.3
259.20676	2.9
261.22278	5.5
267.15894	3.6
273.14957	3.9
285.16876	8.7
292.29044	2.6
297.67419	2.0
301.21640	4.5
303.23090	2.6
306.05869	2.0
317.24664	2.1
335.25864	5.3
337.16675	2.5
339.23395	2.8
341.45139	1.9
351.23178	5.2
355.17371	9.1
369.24268	6.3
387.25412	4.8
405.26196	3.3
411.20413	3.9
443.28259	3.1
461.28796	4.6
527.37628	2.2
545.38214	6.3
653.40070	6.2
671.41486	8.8
689.42572	81.3
690.42413	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.8
51.02377	2.2
53.03944	16.0
55.01870	4.9
55.05511	26.3
57.03436	12.6
57.07078	4.7
65.03944	5.0
67.05509	73.2
69.03433	35.0
69.07079	16.6
70.17113	7.6
71.01377	3.0
71.05008	9.2
77.03932	2.1
79.05493	69.8
81.03419	100.0
81.07057	73.4
81.07537	4.0
81.34669	1.9
83.04985	21.3
83.08616	22.8
85.02905	16.9
85.06552	4.1
87.04465	3.0
91.05489	61.5
93.07043	71.0
95.04967	29.7
95.08612	40.7
95.09181	3.4
97.02897	20.4
97.06551	10.1
97.10175	5.8
99.04465	6.2
100.87453	1.7
103.05507	2.1
105.04546	2.4
105.07028	46.0
106.83500	1.7
107.04935	9.9
107.08596	30.2
109.02879	17.8
109.06523	4.8
109.10162	17.6
111.04449	14.6
111.08076	11.5
113.06006	2.5
115.05465	4.1
117.07019	15.5
119.08587	34.3
119.09372	3.4
120.96664	1.8
121.06527	6.8
121.10143	29.5
123.04495	3.4
123.08106	5.4
123.11716	7.0
125.06094	2.4
125.09671	2.8
127.03941	10.2
128.06264	2.5
129.05522	2.4
129.07004	20.5
131.08571	28.0
132.75389	1.7
133.06505	5.1
133.10130	20.2
135.08104	3.9
135.11693	13.6
141.07011	3.6
142.07782	4.0
143.08537	10.0
145.06497	4.3
145.10147	16.1
147.08072	4.6
147.11684	27.3
149.05966	3.0
149.09650	6.9
149.13284	6.0
153.12799	3.0
155.08627	4.4
157.10159	14.4
159.11658	8.8
161.09674	2.3
161.13341	6.2
163.11238	5.3
165.12773	6.4
167.08589	2.5
169.10176	5.1
171.08093	3.5
171.11743	6.6
173.04485	4.8
173.09724	1.9
173.13303	7.6
175.11172	11.2
175.14851	3.9
181.10095	2.5
181.12358	4.6
183.11748	2.6
184.07291	3.9
185.09714	1.9
185.13324	5.5
187.14909	3.1
191.10716	2.7
193.12251	43.4
195.11876	2.7
197.13290	3.5
199.11130	2.1
199.14888	4.1
201.12856	2.3
209.13547	2.3
211.13278	62.4
215.10849	2.2
227.12746	4.3
229.14432	2.8
243.21169	2.9
259.20688	2.2
261.22272	4.8
267.16055	7.2
277.06247	2.1
285.16980	9.8
289.21634	2.8
301.21661	3.7
305.83438	1.8
317.24875	2.6
330.43665	2.0
335.25851	13.0
337.16562	2.9
341.24847	2.3
345.24344	2.6
351.19330	1.8
351.23505	3.5
355.17651	7.0
369.24384	7.7
387.25394	4.3
405.26312	2.8
411.20169	4.1
435.33133	2.0
443.28189	3.8
461.28799	3.3
471.34201	2.1
527.37122	10.2
545.38684	8.5
548.40576	3.2
635.39838	2.5
653.40759	6.6
671.41632	7.8
689.42615	66.0
690.42798	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	689.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01871	0.6
55.05513	2.0
56.56157	0.3
57.03430	1.5
61.02931	3.0
67.05511	3.2
69.03429	1.8
69.07066	0.9
69.89619	1.9
71.01321	0.4
71.04989	0.4
73.02918	2.4
79.05499	5.3
81.03423	2.1
81.07053	3.2
83.04990	1.3
85.02911	3.2
91.03954	2.1
91.05476	4.4
93.07055	4.3
95.04970	1.2
95.08623	2.2
97.02885	2.3
97.06561	0.5
97.10181	0.5
99.04424	0.4
101.02399	1.1
105.07032	3.1
107.04954	1.0
107.08615	1.3
109.02892	0.5
109.10166	0.8
114.58496	0.3
117.07041	0.7
119.08566	1.7
121.10147	0.4
123.08058	0.6
127.03937	1.0
129.07019	1.1
131.08546	0.4
133.10184	1.1
135.11668	0.4
143.08557	0.6
145.10150	1.1
147.08115	0.4
147.11691	2.8
161.09657	0.5
161.13287	0.6
171.11720	1.4
185.04077	0.4
189.12747	0.4
196.41794	0.3
207.13821	0.5
243.08490	1.3
247.13068	1.7
281.17599	0.5
293.21414	0.3
303.15668	0.4
330.96390	0.3
464.32764	0.4
465.20978	12.2
562.96136	0.4
689.35059	100.0
690.35455	5.1
692.86584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01858	1.0
55.05512	3.4
55.64888	1.0
57.03421	1.8
61.02914	3.3
67.05498	4.3
69.03427	3.5
69.07061	1.5
70.06583	3.4
71.04999	1.3
71.49874	0.9
73.02914	3.1
79.05490	4.3
79.27027	1.0
81.03414	6.9
81.07049	4.2
83.04970	1.0
83.08620	1.9
84.08130	1.3
85.02914	5.3
86.09715	4.5
87.04472	1.3
87.51154	1.0
91.03953	2.2
91.05470	4.4
93.07045	3.9
95.04992	2.3
95.08614	2.4
97.02876	4.2
97.10195	2.6
99.04493	1.6
101.02387	1.1
101.06116	1.0
105.07047	3.6
105.73792	1.0
107.04936	1.2
107.08612	3.5
109.02923	1.8
109.10153	1.5
119.08590	2.6
120.08096	1.3
121.06553	1.4
121.10162	2.7
125.09676	2.3
127.03934	3.4
131.08612	1.2
133.10146	2.0
135.11690	1.7
137.05998	1.3
147.11716	1.7
149.09674	2.3
151.03964	1.3
157.10095	1.6
163.11194	2.1
167.06989	1.1
175.11217	1.4
184.07350	4.9
189.11266	2.1
192.49792	1.1
193.12231	2.0
195.02357	0.9
207.06555	1.0
211.07513	0.9
211.09505	1.1
211.13295	1.8
227.12807	1.8
243.08409	2.2
267.15948	2.4
283.15231	4.1
285.17099	1.6
341.20035	1.0
384.96393	1.0
429.17218	10.4
475.27231	1.3
493.27899	1.7
501.22894	10.1
639.29742	3.3
671.32526	1.5
689.33563	100.0
690.34082	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	688.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03064	0.9
55.05507	2.9
57.03455	1.4
57.07077	88.6
59.05000	16.5
59.45818	1.2
67.05505	2.5
69.03432	2.1
69.25047	8.9
69.25459	3.2
71.08633	56.3
73.06567	5.7
79.05505	2.3
81.03407	2.3
81.07062	3.3
83.04964	1.3
83.08617	2.2
85.10185	42.6
86.09720	3.6
87.04478	14.8
89.06033	100.0
91.05492	3.2
93.07066	1.9
95.04963	2.5
95.08608	1.5
97.10164	1.4
98.20792	2.3
99.11719	7.0
103.07606	7.7
105.07066	2.5
107.08589	2.4
113.13316	2.7
117.09123	3.0
119.08611	1.6
119.94026	1.1
124.99987	1.4
130.08690	1.3
131.07040	3.7
131.08685	1.5
133.08604	73.1
145.11171	1.1
147.11734	1.5
152.09410	1.1
155.17953	4.8
175.09631	4.0
175.20860	1.2
177.11229	28.8
184.07330	16.9
193.12242	2.2
199.12701	1.1
211.13307	2.3
213.22136	5.2
219.12228	1.6
221.13898	5.7
239.14915	1.9
257.24762	3.2
265.16595	1.3
277.79224	1.2
283.17474	1.6
309.19101	1.7
371.22604	1.8
412.97308	1.3
459.28018	7.7
470.39423	1.4
497.19427	1.5
520.35071	1.3
533.89221	1.2
547.40076	2.5
552.18726	1.2
671.40991	1.3
688.51971	3.1
689.42145	1.5
707.21057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24979	1.2
55.05509	5.4
57.03439	8.2
57.07077	29.8
59.05007	1.3
59.87574	1.2
63.59561	1.3
65.03952	2.3
67.05177	2.2
67.05505	25.9
69.07064	7.0
69.30134	7.4
69.30550	3.6
71.08632	23.1
75.35585	1.2
79.05499	7.9
81.07059	13.8
83.08618	8.3
85.10188	12.6
86.09722	2.3
87.04469	1.6
89.06036	9.2
89.43785	1.2
91.05481	77.9
93.07051	5.0
94.82250	1.2
95.04955	3.9
95.08618	14.2
97.10186	4.0
98.20793	2.8
102.47688	1.2
105.07037	33.3
107.05042	1.2
107.08586	2.8
109.10154	9.4
117.07024	2.2
119.08557	2.9
123.11736	3.3
124.99973	1.8
128.06233	2.2
131.08611	3.0
133.08551	4.6
133.10133	93.7
135.11661	2.8
143.08597	5.3
151.11230	3.5
158.61646	1.3
161.09624	15.0
175.11470	1.3
179.10654	2.4
184.07349	8.0
187.68285	1.3
197.11768	2.3
239.23880	2.1
253.14342	70.5
274.86975	1.4
274.90009	1.3
313.27356	100.0
437.60544	1.5
491.37344	93.0
492.37671	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	688.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.02343	0.8
55.05507	4.2
57.03445	2.3
57.07079	100.0
58.52298	0.8
59.05006	31.7
65.03919	1.2
67.05505	6.0
69.03443	1.6
69.07076	4.4
69.51051	4.6
69.51458	1.9
71.04999	0.9
71.08635	98.4
73.06557	1.6
79.05492	3.4
81.03407	4.8
81.07058	4.8
83.08639	4.7
85.02917	1.9
85.10188	97.1
87.04468	11.6
89.06036	77.8
91.05484	3.9
93.07036	4.8
95.04995	1.9
95.08605	4.1
97.10164	2.0
99.11738	11.9
101.09663	2.2
103.07570	1.0
105.07048	3.2
107.08578	1.9
111.96452	0.9
116.26286	0.8
117.09114	6.5
119.08563	2.0
121.06540	0.9
121.10172	1.9
123.04443	0.9
131.07045	3.7
131.08569	2.2
133.08609	65.4
135.11697	1.4
141.16394	11.3
145.10109	1.4
147.10185	0.9
147.11682	1.0
149.09648	1.1
157.10179	1.1
163.49174	1.0
175.09662	3.6
177.11240	22.6
199.20573	19.7
211.13269	1.6
219.12270	2.1
221.13905	5.5
235.13188	2.2
240.23308	1.2
257.24731	8.6
265.16266	1.6
283.17410	1.8
309.18924	0.9
311.11731	1.1
320.79657	1.0
327.20053	1.8
335.25787	2.7
371.22748	2.2
388.89691	0.9
411.74939	1.1
415.25436	11.3
455.28336	2.2
463.59845	1.0
547.39771	4.3
601.78400	1.1
688.52069	2.3
689.42542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01870	4.1
55.05511	15.2
57.03436	15.2
59.05013	2.3
60.10096	2.2
61.13824	1.9
65.03939	3.7
67.05507	41.4
67.91346	2.2
68.05830	2.1
69.03415	6.0
69.07073	13.9
69.82736	11.9
71.04988	4.3
73.02900	2.1
79.05496	63.6
81.03421	55.0
81.07060	50.4
83.04990	20.1
83.08622	20.9
85.02903	17.6
85.06527	5.1
86.09689	6.3
91.05483	48.2
93.07048	52.1
94.07383	3.8
95.04971	34.9
95.08605	24.3
97.02890	5.8
97.06522	6.1
97.10157	7.0
105.07034	41.5
107.04931	7.4
107.08574	19.0
109.06509	8.6
109.10165	5.3
111.04433	3.4
111.08087	9.0
111.19910	1.9
117.07043	5.4
119.08580	33.9
121.06509	4.9
121.10117	9.2
123.08076	5.4
129.07013	15.3
131.08560	10.7
133.06479	4.4
133.10135	15.7
135.11748	3.9
142.05595	2.3
143.08595	5.1
143.50900	2.0
145.10104	10.4
147.08055	6.0
147.11688	29.5
149.09634	4.9
157.10152	11.6
161.09584	4.9
161.13243	5.7
163.11157	5.7
168.36627	2.2
171.11687	15.9
175.11201	8.0
184.07326	13.4
189.12738	5.1
193.12267	28.9
207.13831	17.0
211.13287	30.8
227.12759	4.1
228.13300	3.1
229.13406	2.6
267.15942	27.3
281.17474	100.0
282.17746	6.8
283.15335	5.4
283.18149	4.7
284.15842	3.8
285.16962	15.5
389.06433	2.3
411.62045	2.2
473.29056	84.7
474.29709	3.6
490.28412	3.3
491.29984	88.6
492.30722	2.7
635.33960	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	688.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01844	2.4
55.05510	7.4
57.03434	4.0
57.07058	1.3
60.08136	0.8
61.02903	1.1
66.26991	0.6
67.05505	13.1
69.03394	2.3
69.07064	5.3
70.06573	1.5
70.16129	0.9
70.16469	3.1
71.04961	2.6
71.07392	0.8
73.02891	1.5
79.05494	21.4
81.03421	3.6
81.07062	16.4
83.04950	2.4
83.08616	7.6
85.02879	1.3
86.09705	5.6
91.05489	8.0
93.07048	32.6
95.04974	5.7
95.08610	36.1
97.02885	3.6
97.06493	2.8
97.10146	1.3
99.04481	4.0
105.07037	5.7
107.04954	9.2
107.08596	27.2
109.06491	2.3
109.10143	3.4
111.04431	1.3
111.08082	1.3
113.06000	1.0
115.05460	0.8
117.06365	0.7
117.07022	8.5
119.08578	10.1
121.06518	5.1
121.09370	0.8
121.10150	13.1
121.75423	0.8
125.00004	3.9
125.06023	3.7
130.07736	1.5
131.08540	1.0
133.10139	3.9
135.08031	3.1
135.11699	49.6
139.07494	2.1
143.08519	1.3
145.10130	31.2
145.11296	1.5
147.11652	1.7
149.09616	0.9
161.09608	1.0
163.11183	67.4
173.09692	0.9
181.12234	13.6
184.07336	16.3
193.12332	1.1
209.11676	2.6
227.12790	79.4
228.13008	1.8
281.17554	1.6
283.15399	98.8
284.15836	1.0
473.29349	4.4
491.26404	100.0
492.27139	3.4
509.27563	0.8
547.15314	0.8
688.35382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22290	0.8
53.03955	2.5
53.69470	0.7
55.01862	0.8
55.05508	11.0
57.03190	1.3
57.03438	13.0
57.07066	2.2
57.15877	0.7
58.50258	0.8
59.04998	4.1
61.02909	4.4
65.03924	2.3
67.05505	99.7
69.03420	1.1
69.07077	7.3
71.04980	2.9
71.08625	1.2
73.02887	1.1
79.05493	20.2
81.03448	0.9
81.07056	35.5
81.07536	1.7
83.08620	8.5
85.02900	4.4
85.06548	2.4
91.03925	1.5
91.05482	13.0
93.06483	1.6
93.07047	21.9
95.04982	1.8
95.08606	23.1
97.02857	2.5
97.06532	1.5
97.10172	1.8
105.07034	6.6
107.08598	9.8
107.56670	0.9
109.10157	75.4
110.10529	1.0
111.08076	2.9
117.07034	2.9
119.08582	10.1
121.10142	11.9
123.11684	2.9
125.09626	1.2
129.07033	1.0
131.08556	5.9
133.10127	3.6
135.11653	6.9
137.09636	3.5
137.13206	1.0
137.20393	1.0
145.04904	0.9
145.10159	4.4
147.11685	3.2
149.13254	3.2
151.04871	0.8
155.10669	9.8
159.11656	3.1
161.13257	3.3
163.14830	2.3
173.11771	15.9
173.13315	2.9
175.14803	1.1
177.16370	1.2
187.14812	1.9
208.41254	0.9
208.61295	0.9
227.12703	4.2
229.14352	100.0
230.14709	1.5
243.21082	3.7
261.22137	16.8
317.24774	3.3
335.25809	66.8
336.26025	1.5
397.30853	1.3
398.37656	0.8
415.32214	1.9
489.35803	37.5
490.36090	1.6
507.36841	2.5
529.77094	1.3
581.68402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.2
57.03426	2.1
57.07079	100.0
58.07411	0.7
59.05005	38.8
59.06123	0.6
67.05508	2.0
69.07061	2.8
71.08634	74.1
72.08942	0.7
79.05477	0.7
81.07037	2.0
83.08619	3.0
85.10185	65.6
86.10486	0.6
87.04487	3.2
89.06033	27.6
91.05480	1.0
93.07067	1.0
95.08622	1.2
95.11381	0.6
97.10159	3.4
99.11732	13.5
101.06013	0.9
101.09649	3.0
103.07584	1.2
103.11246	0.6
107.07140	0.7
109.10138	1.3
111.11736	1.3
113.13280	5.1
117.09133	15.0
119.08615	1.0
131.07051	0.8
133.07674	0.9
133.08615	16.6
139.87233	0.6
155.17952	9.4
175.09723	1.1
177.11238	7.1
213.22142	18.5
224.40559	0.7
251.20885	0.6
254.24628	1.0
271.26331	22.0
283.17542	9.3
284.81256	0.7
300.61072	0.7
305.59277	0.6
329.30328	1.0
341.21768	4.6
381.24725	0.8
399.26218	1.1
511.67059	0.6
545.41937	3.7
622.05621	0.8
686.53363	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05511	12.0
57.03197	1.1
57.03441	11.0
57.07058	2.3
59.04986	3.3
61.02909	4.0
64.12905	0.8
65.03913	2.6
67.05505	100.0
69.03420	2.5
69.07070	9.4
69.15400	10.2
71.04972	2.9
73.02917	1.2
78.06493	0.9
79.05076	1.7
79.05492	21.7
81.07054	38.4
83.08608	7.6
85.02898	5.0
85.06580	2.1
91.03942	1.7
91.04974	1.5
91.05479	16.3
93.07044	27.6
95.04969	2.2
95.08604	27.0
97.02885	3.0
97.06496	1.8
97.10193	1.9
98.21616	1.5
99.08096	1.2
105.07042	7.8
107.08585	14.3
109.10155	74.7
109.35466	1.0
111.08092	4.3
117.07001	3.9
119.08591	12.7
119.75227	0.8
121.10142	11.6
123.08057	1.3
123.11698	3.6
124.99989	0.8
125.09607	1.3
131.08566	6.7
133.10156	4.9
135.11699	9.4
137.09607	2.6
145.10109	5.3
146.63409	0.9
147.11655	2.7
149.13290	4.8
155.10677	9.0
159.11705	4.0
161.13255	2.6
163.14778	2.8
173.11732	18.0
173.13261	4.2
187.14818	1.1
189.11218	1.0
227.12766	2.8
229.14343	86.7
230.14735	1.3
243.21109	5.7
261.22150	16.9
266.22833	0.9
317.24820	3.2
335.25790	80.5
336.26175	1.8
349.52991	0.9
395.59631	1.0
397.31131	1.6
471.34509	1.3
489.35757	64.2
490.35898	1.9
507.36673	3.0
536.43878	1.0
566.97205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
54.79062	1.0
55.01876	1.4
55.05510	9.4
57.03442	5.8
65.03930	1.1
67.05505	22.2
69.03420	1.2
69.07053	5.2
70.22492	3.8
71.05008	1.4
73.02929	1.1
79.05495	32.1
81.03419	4.2
81.07052	20.9
83.04973	4.8
83.08614	4.7
84.30379	0.9
85.02899	1.2
85.06544	1.6
91.05488	19.3
93.07045	34.8
93.07638	2.0
95.04974	7.7
95.08611	25.0
97.02888	2.1
97.06521	3.3
97.10170	1.9
98.21444	1.6
99.04452	1.8
103.05437	1.2
104.72585	0.9
105.07041	15.8
107.04973	5.1
107.08594	16.5
109.06551	2.5
109.10162	1.6
111.04391	0.9
111.08080	1.1
117.07020	5.1
119.08583	13.8
121.06519	3.7
121.10134	9.1
123.08086	1.7
125.05986	1.3
129.06990	6.7
129.90384	1.0
130.07782	1.4
131.08530	2.2
133.10156	5.0
135.08078	2.3
135.11690	27.3
139.07469	1.1
143.08554	3.2
145.09050	1.8
145.10124	20.8
147.08125	1.1
147.11705	12.0
161.09717	1.1
161.13289	2.5
163.11188	37.8
163.12552	2.4
167.25227	1.1
171.11694	9.7
181.12209	6.5
189.12762	3.4
207.13815	7.2
209.11720	1.0
227.12790	41.2
281.17480	44.6
282.17688	1.7
283.15384	29.8
385.35110	0.9
433.84842	0.9
489.28482	100.0
490.29352	2.3
686.41833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36553	0.7
53.03925	0.9
55.01865	2.4
55.05277	1.0
55.05500	4.8
57.03432	5.3
57.07094	0.9
59.05003	0.9
61.02935	4.0
67.05499	2.1
69.03429	12.1
69.07075	9.1
70.06579	3.5
70.77972	1.7
71.01352	1.5
71.04984	2.8
73.02921	17.8
79.05473	2.7
81.03416	2.8
81.07057	9.4
81.48678	0.8
83.08617	5.8
84.04466	1.6
84.08123	2.4
85.02908	38.3
85.06550	2.3
86.09702	4.9
87.04465	1.6
91.03927	1.1
91.05482	3.5
93.07053	9.4
95.08611	22.9
97.02299	1.5
97.02898	21.3
97.10166	3.3
99.04459	3.0
99.08095	12.0
103.03918	1.5
105.07027	2.6
107.08598	26.6
108.08108	0.9
109.02870	3.7
109.10168	5.7
111.08092	3.7
113.09636	1.5
115.03932	7.3
119.08592	1.1
120.08104	2.5
120.92648	0.7
121.10145	47.9
122.78246	0.7
123.11710	1.8
125.09644	2.6
127.03924	14.3
129.10246	2.9
133.04980	10.5
133.10034	1.1
135.11684	7.7
136.07536	1.5
137.13229	4.5
145.04964	17.0
145.83629	0.9
149.13264	4.1
150.07657	1.1
150.60167	1.0
163.06009	6.8
167.72377	0.7
175.14793	1.4
177.16391	100.0
178.16698	2.1
181.54515	0.7
186.70491	0.7
195.17448	22.0
213.18498	61.3
214.18806	1.3
217.07089	0.8
223.06049	2.8
241.07118	2.9
259.08197	7.6
261.14499	1.2
277.09204	1.4
295.10312	5.1
325.11295	2.4
345.22812	0.7
375.23859	2.9
464.92725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01865	4.0
55.05515	38.1
57.03434	13.4
57.31680	1.8
59.82803	1.6
61.02920	2.5
67.05505	23.0
69.03432	4.7
69.07066	8.3
70.02934	1.7
70.06593	15.1
70.11640	6.5
70.62709	1.4
71.04987	2.6
72.08144	2.8
79.05499	21.6
81.03421	61.9
81.07052	16.1
83.04979	6.9
83.08620	37.5
84.08122	2.6
85.02887	3.6
85.06527	3.1
86.09714	7.6
87.65298	1.6
91.05449	14.6
93.07037	12.1
95.04977	19.9
95.08594	5.3
97.02894	4.9
97.06551	2.9
97.10171	55.6
102.08061	1.4
104.28183	1.4
105.07034	13.2
107.04964	7.2
107.08587	19.5
109.02841	3.1
109.10181	10.2
111.04420	2.0
111.08064	7.2
117.07018	4.0
119.08597	8.1
120.08115	1.6
121.06503	2.7
121.10141	5.8
125.09631	57.9
129.07027	7.2
129.10219	1.7
131.08574	8.9
132.04437	4.0
132.10234	2.0
133.06412	2.3
133.10103	5.6
135.08032	6.6
143.10687	2.2
147.04404	1.7
147.08058	2.7
147.11688	6.1
149.09616	3.2
153.09140	7.4
157.10126	6.9
163.11148	2.3
164.07014	1.7
171.10156	6.3
175.11186	8.9
189.11215	37.8
193.10484	1.6
193.12250	33.0
209.11711	1.9
211.13322	3.0
227.12787	68.4
229.14272	3.9
244.36166	1.7
245.13850	100.0
267.15924	95.7
267.18192	1.9
268.16241	3.5
405.22858	4.1
419.24319	22.0
437.25366	91.4
438.18344	2.4
438.25430	2.6
455.26437	2.8
479.26035	2.5
502.70752	1.7
566.26581	2.0
684.33008	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	684.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01867	2.4
55.05520	9.0
57.03426	3.9
57.03882	1.7
58.91216	1.6
61.91623	1.7
62.31174	1.6
67.05506	29.0
68.94022	1.9
69.07065	5.4
69.31277	16.1
71.05006	1.9
71.26633	1.7
73.41722	1.8
73.70555	1.5
79.05495	46.4
81.03418	8.1
81.07054	28.8
83.04979	9.0
83.08604	3.7
91.05478	35.0
93.06487	3.1
93.07047	44.2
95.04977	12.0
95.08612	15.5
97.06506	2.2
105.07038	23.8
107.08564	11.1
109.06515	3.5
109.10130	2.8
117.07017	7.4
119.08586	18.0
121.06528	1.8
123.08033	3.2
123.63596	1.9
128.06239	1.8
128.79378	1.9
129.07016	9.2
131.08549	3.3
133.10149	5.5
134.76822	1.7
135.11687	2.9
141.82539	1.8
143.08575	6.4
145.10081	8.7
147.08139	1.8
147.11696	32.7
152.92343	2.0
161.09657	3.5
161.13293	8.5
163.11147	3.1
171.11682	18.5
189.12750	8.0
207.13806	27.3
263.16510	3.0
281.17474	58.7
469.29361	1.8
487.30566	100.0
488.31091	4.3
509.00278	2.0
543.36896	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	681.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13945	1.4
52.77411	1.2
53.03936	3.9
54.74030	1.3
55.01864	6.2
55.05268	2.3
55.05513	21.4
57.03430	6.1
57.07064	2.8
65.03919	3.5
67.05505	45.0
68.99792	1.7
69.03421	4.8
69.07066	11.5
69.84617	3.6
69.85015	2.4
71.08608	1.5
79.05495	35.3
81.03432	3.6
81.07054	39.3
83.01371	1.7
83.04981	4.9
83.08620	9.8
91.05480	34.9
93.07043	36.2
95.04950	6.8
95.08613	34.7
97.06522	3.4
97.10179	10.4
98.20908	2.0
103.05457	2.3
105.04555	2.1
105.07038	32.3
107.04979	2.7
107.08591	27.3
109.02894	1.6
109.06544	3.8
109.10162	13.3
111.08047	1.7
115.05443	2.8
117.07029	11.0
119.08588	25.3
121.02872	1.6
121.06520	4.7
121.10148	11.8
123.04453	4.9
123.08089	3.5
123.11701	3.3
125.02398	1.4
125.09650	5.4
128.06242	2.7
129.07036	7.6
131.04967	2.1
131.08582	14.1
133.06502	2.8
133.10147	16.5
135.04456	4.0
135.08080	5.2
135.11673	8.3
137.06001	4.2
137.09618	2.3
139.03903	4.7
141.06944	3.2
142.07777	2.2
143.08601	6.3
143.13158	1.5
145.06445	2.9
145.10085	9.0
147.04382	7.4
147.08057	2.7
147.11682	13.2
148.05219	2.0
149.05983	5.0
149.09612	2.4
149.13272	4.3
151.03909	15.8
151.07565	3.8
153.05498	8.7
153.06578	1.6
155.08603	2.2
155.48453	1.4
157.10201	4.1
159.04427	2.3
159.08092	2.4
159.11652	9.6
161.05992	9.6
161.09694	2.8
161.13354	7.1
163.03896	15.6
163.07570	4.0
163.14757	1.3
165.05518	7.2
165.34959	1.6
167.07158	2.3
167.08546	2.8
169.10199	1.9
171.04367	1.7
171.08176	1.9
171.11760	3.8
173.05997	4.3
173.13374	4.8
175.03917	35.7
175.07487	8.5
175.11234	1.5
175.14844	2.8
176.04684	32.7
177.05470	61.8
179.07034	6.5
181.10172	2.0
183.11646	1.5
185.06015	3.6
185.09715	1.6
185.13202	3.8
187.03922	13.2
187.07584	5.4
188.04631	2.0
189.05472	43.6
189.09134	2.9
189.11249	2.3
190.06145	2.8
191.03413	2.4
191.07037	28.7
193.04936	2.1
195.11757	1.9
197.06001	2.0
197.09619	1.8
199.03905	2.0
199.07597	4.1
199.11221	1.8
199.14854	1.6
200.04625	3.8
201.05472	29.2
201.09210	3.3
201.12784	2.3
203.03383	2.0
203.07042	18.2
205.04953	8.0
205.08656	3.0
209.13377	2.1
211.07550	2.1
213.05479	6.6
213.09090	3.0
214.06239	4.3
215.07091	13.9
215.10611	2.0
216.07741	1.7
217.05003	7.1
217.08553	6.8
219.06604	6.5
219.10193	1.5
223.07567	1.8
227.07024	12.3
227.10612	2.1
228.07970	2.4
229.08601	6.8
229.12265	1.8
231.06642	2.8
231.10194	2.7
239.07005	3.0
239.10754	2.6
241.08583	6.8
241.12337	2.3
243.10245	3.3
253.08568	3.0
255.10191	3.5
255.13899	3.4
257.11725	2.6
259.13394	2.7
259.20590	7.9
265.12302	2.8
267.10233	3.5
269.11838	3.0
271.13370	4.0
273.14841	14.0
273.22058	12.8
281.11810	2.2
283.13287	26.9
285.11819	1.9
285.14993	5.8
287.12796	3.8
289.14474	1.8
291.23306	5.5
293.11908	1.6
295.13409	3.5
297.15091	2.7
299.12762	9.6
301.14362	56.5
303.15994	5.8
311.12848	6.9
311.16440	1.7
313.14343	19.3
315.16013	2.6
317.13840	23.1
325.14322	3.8
327.15955	2.5
329.13818	42.7
331.15417	47.8
333.24255	8.6
335.25800	2.2
339.15994	5.2
341.13846	6.1
341.17673	2.9
343.15457	3.2
347.14825	19.1
347.26035	4.5
355.15521	5.4
357.16962	3.6
361.16388	2.1
367.15460	5.6
369.17038	6.9
371.18829	3.3
373.16629	3.2
383.18622	6.0
385.16379	17.6
385.20508	1.6
387.18237	3.4
391.17932	3.4
403.17526	17.1
405.18896	6.6
421.19238	2.9
423.21817	5.1
479.24481	4.1
497.25650	2.1
507.27286	2.0
519.27405	2.0
561.35950	4.5
571.34375	8.2
589.35168	35.5
601.34906	1.9
607.36273	13.1
617.38873	1.9
619.35852	2.9
627.37372	2.7
635.39117	1.9
637.37299	5.5
645.38165	10.8
663.38922	100.0
664.39685	3.9
681.39966	85.6
682.40497	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01867	4.4
55.05510	15.6
57.03434	5.1
57.07071	2.1
58.56900	1.2
65.03938	3.1
67.05508	40.0
68.06627	1.8
69.03433	3.2
69.07066	10.4
71.04970	1.8
71.12266	1.3
77.44524	1.3
79.05499	32.8
80.77307	1.3
81.03419	2.4
81.07056	34.3
82.18591	1.3
82.74120	1.5
83.04997	2.2
83.08616	6.2
91.05480	30.5
93.07045	35.1
95.04962	6.5
95.08614	32.1
97.06547	1.7
97.10192	5.2
98.21526	4.7
103.05479	2.0
103.86613	1.4
105.04490	2.8
105.07030	28.7
107.04963	3.2
107.08604	21.0
109.06495	2.5
109.10165	10.5
111.08075	1.9
111.55079	1.8
115.05494	2.4
117.07031	11.8
117.38220	1.2
119.08591	21.2
120.05727	1.3
121.06499	4.7
121.10119	12.0
121.45715	1.3
123.04446	4.4
123.08064	3.8
123.11716	1.9
125.09641	3.2
128.06197	1.7
129.07019	4.4
129.45985	1.3
130.07771	1.6
131.04976	1.8
131.08553	13.2
133.06535	2.5
133.10118	19.2
135.04437	3.5
135.08087	2.8
135.11687	7.7
137.05978	3.5
139.03909	4.5
141.07019	3.2
143.08582	7.1
145.06445	2.1
145.10135	7.9
147.04414	5.6
147.08060	3.6
147.11699	11.5
148.05174	2.8
149.05983	4.9
149.13281	3.8
151.03914	15.5
151.07539	2.2
153.05476	10.0
155.08591	4.0
157.06499	1.7
157.10155	4.0
159.04457	2.0
159.08133	2.0
159.11685	9.5
161.05974	11.4
161.09642	2.4
161.13275	7.0
163.03900	15.6
163.07542	4.6
165.05493	9.7
165.06734	1.7
167.08553	2.3
169.06451	1.6
169.10150	2.0
171.11703	4.0
173.06035	4.5
173.09674	2.2
173.13286	4.8
175.03914	35.9
175.05319	2.8
175.07521	6.8
175.14857	3.6
176.04704	34.7
177.05482	57.5
179.03334	2.1
179.07057	5.2
183.08060	2.1
183.11693	2.4
185.06027	3.5
185.09636	2.4
185.13309	4.7
186.06711	1.8
187.03943	11.0
187.07567	4.2
187.14789	1.8
188.04704	2.9
189.05486	42.9
190.06201	2.2
191.03421	1.8
191.07031	30.6
191.08611	2.7
193.10167	2.3
195.11728	1.9
197.06082	2.4
199.07602	5.1
200.04723	4.5
201.05458	34.0
202.06160	2.1
203.03357	2.2
203.07063	17.9
205.04951	8.5
205.08598	2.5
209.09859	2.1
211.07521	2.4
211.11230	2.1
213.05486	7.2
213.09129	3.5
214.06325	4.1
215.07033	13.8
217.04974	7.7
217.08635	6.4
219.06442	8.1
219.09985	1.9
225.05502	1.7
226.06296	1.8
227.06996	8.7
227.10635	2.5
229.08617	6.4
229.12338	2.0
231.10191	3.6
237.12482	2.0
239.07069	1.8
239.10573	2.4
241.08604	7.6
241.12245	1.6
241.19586	2.1
243.10300	4.1
253.08638	2.6
255.10269	3.3
255.13904	3.2
255.20956	1.6
257.11603	3.5
259.13342	1.8
259.20663	8.0
265.12634	2.5
267.10135	2.4
269.11755	2.4
271.13297	7.7
273.14883	12.3
273.22076	9.3
283.13297	23.8
285.11832	1.8
285.14673	7.2
287.12958	3.3
289.14389	4.5
291.23102	3.5
295.13330	3.6
297.14810	3.1
299.12796	8.2
301.14337	55.4
301.17654	3.0
303.16040	6.7
309.14783	2.1
311.12845	9.5
313.14349	19.4
313.17639	2.1
315.12177	1.7
315.15939	3.1
317.13837	27.5
325.14584	3.1
325.18030	1.8
327.15958	1.7
329.13837	48.7
331.15372	45.2
333.24280	4.6
335.25552	1.6
339.15887	4.5
341.13858	2.3
341.17538	2.2
343.15247	2.0
347.14886	19.7
347.25940	4.8
351.16055	1.9
353.14005	1.8
355.15530	5.3
357.17041	2.9
365.17438	3.5
367.15482	4.9
369.17090	5.0
371.18967	1.8
373.16388	2.5
379.19122	1.9
383.18552	6.1
385.16388	16.0
387.17999	3.7
391.17746	4.0
403.17422	16.8
405.19165	5.1
421.18600	2.5
423.21814	5.1
459.24622	1.5
477.26883	1.8
519.27362	1.8
571.34314	8.2
589.35321	29.4
591.37152	1.7
593.31097	1.8
607.36243	11.2
619.36896	2.6
625.37726	2.5
627.36371	2.9
635.39606	1.6
637.37622	4.3
645.38190	9.8
663.38928	100.0
664.39294	2.6
681.40039	99.9
682.40509	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	680.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	78.0
59.05001	76.6
64.40593	22.3
67.05010	20.6
83.08649	19.4
98.20740	49.8
100.13622	18.2
105.33122	19.7
108.61439	20.0
146.58478	21.4
229.85213	25.9
229.87247	23.5
235.99939	22.8
246.84024	22.2
287.16452	22.2
327.07791	100.0
331.68597	21.7
383.14090	77.2
439.20285	98.0
448.38632	26.3
495.26340	56.2
551.32800	81.9
607.38843	83.4
662.67505	24.7
663.44830	78.2
680.52020	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	680.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	0.6
55.01869	0.7
55.05509	3.4
57.03448	0.8
59.04713	1.0
59.05001	19.1
67.05495	1.5
68.05059	0.6
69.03425	1.7
69.07064	1.0
70.06586	7.6
71.04987	0.7
71.50119	1.0
72.08156	2.1
73.02902	1.3
73.06547	1.8
74.06104	0.7
79.05486	0.8
81.03424	1.6
81.07041	1.4
83.06078	0.7
83.08627	2.5
83.12245	0.7
84.04525	1.1
84.08138	3.2
84.08930	0.6
85.02908	1.8
85.06538	1.1
86.09721	4.2
87.04466	14.2
89.06033	100.0
91.05490	1.1
95.05000	1.2
95.08588	0.9
97.02887	0.8
100.07624	0.9
100.11265	12.0
101.11607	3.0
103.07614	3.1
105.07055	0.9
106.06569	1.3
107.05009	0.8
107.07074	1.8
107.08636	0.9
109.02853	0.9
109.10200	0.8
110.07115	0.7
111.04455	1.6
113.06021	0.9
114.05502	0.7
117.09154	2.7
119.04949	1.2
119.08590	0.9
120.08076	1.7
121.10191	0.8
123.04440	2.1
127.03952	1.6
128.07126	1.5
129.10266	1.3
130.08694	1.3
131.04927	0.8
131.07054	4.2
133.08606	62.2
135.10271	0.7
135.11681	0.9
136.07555	1.2
137.06013	1.2
137.36115	0.6
139.03865	0.8
139.08720	0.9
145.02936	0.7
147.04396	1.6
148.41277	0.7
151.03914	2.2
153.05461	3.2
161.11806	1.4
163.03902	1.2
165.05524	0.8
175.03896	0.8
175.09702	2.5
177.05493	2.0
177.11229	23.2
182.15413	5.4
183.15794	1.6
184.07352	1.4
195.06441	0.9
207.06564	1.8
209.16562	4.3
210.14941	4.6
210.16631	1.0
211.15248	2.5
219.10324	0.9
219.12294	0.8
221.13815	3.4
222.82712	0.8
226.19324	1.3
228.16162	0.8
249.89418	0.6
265.16412	0.9
283.06360	1.7
283.17551	1.3
305.09055	0.7
343.23322	1.0
356.09229	1.0
453.48166	0.7
503.30304	0.7
519.15259	1.3
547.33411	4.6
662.50604	2.9
680.39551	1.3
680.51605	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	679.3297
Annotation	Toxiusol
Peak:m/z	Relative Intensity
50.16191	0.8
53.03940	1.4
55.05508	2.0
57.03436	1.8
61.02924	3.6
67.05511	5.5
68.05827	1.0
69.03434	2.6
69.07065	2.1
69.13938	9.7
70.06580	1.3
71.04996	1.5
73.02921	2.0
79.05499	6.5
81.03426	2.2
81.07056	7.0
83.08614	2.0
85.02921	4.1
86.09715	2.6
91.03964	1.3
91.05476	4.6
93.07040	6.8
94.07357	1.0
95.04966	0.9
95.08591	3.9
97.02892	3.4
97.06535	1.7
98.98404	0.9
99.04429	1.5
100.11268	0.8
101.02369	1.5
105.07043	2.2
107.08597	3.6
109.02907	1.5
109.10180	1.9
117.07046	1.7
119.08588	1.5
121.06557	0.9
121.10159	4.5
125.00064	1.9
127.03928	1.9
131.08571	2.0
133.10121	2.0
135.11696	3.2
145.10112	2.0
149.13293	3.2
159.11627	1.1
163.11217	4.0
181.12224	1.1
184.07324	7.0
185.07715	1.2
227.12781	1.6
243.08411	2.0
249.11029	7.3
288.18860	1.3
305.13785	1.5
450.29477	2.0
453.20895	9.3
467.19016	7.4
482.31653	1.2
679.32928	100.0
680.32709	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	678.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46849	0.1
55.05508	0.2
56.05036	0.7
57.07065	0.4
58.06614	0.5
59.07388	0.2
60.08165	6.0
67.05499	0.4
70.06575	0.1
71.00015	0.3
71.07370	3.2
71.08648	0.2
81.03401	0.1
81.07053	0.6
85.10174	0.2
86.09706	28.2
89.06061	0.2
95.08595	0.6
98.98463	3.3
104.10739	1.9
105.07008	0.1
125.00005	20.1
133.08606	0.2
184.07339	100.0
185.07704	0.5
448.22144	0.2
478.21808	0.1
496.33984	0.2
609.26660	1.2
678.47174	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	678.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53189	0.9
51.85305	1.0
53.03943	1.4
55.01873	1.7
55.05312	1.0
55.05518	10.1
57.03447	6.3
57.07070	2.0
61.02912	2.4
65.03939	1.1
67.05510	52.8
69.03429	1.2
69.07071	10.1
70.06593	1.5
71.04990	13.4
71.49281	1.1
79.05071	1.9
79.05499	24.1
81.03417	2.8
81.07061	51.6
83.04980	6.4
83.08627	6.4
85.02913	2.8
85.06536	4.2
86.09679	1.2
91.05486	18.2
92.53166	1.0
93.06489	2.0
93.07050	28.8
95.04974	3.0
95.08613	9.2
97.02898	1.9
97.06544	6.7
97.10168	5.8
99.08086	2.0
105.07037	6.3
107.08607	21.9
109.06493	1.4
109.10164	17.6
111.08085	3.6
117.07014	4.3
119.08593	4.6
121.06498	1.0
121.10169	7.1
123.11684	5.8
125.00124	1.0
125.09650	1.1
131.08572	2.5
133.10132	8.9
135.11703	23.2
137.09593	2.8
145.10143	4.6
147.11696	1.9
149.13246	9.0
151.11177	2.4
156.99777	1.0
159.11676	5.8
163.11174	2.2
169.12177	1.1
173.11725	1.7
177.12816	1.5
181.12209	2.7
184.07379	3.7
187.13303	2.2
195.13835	2.7
213.14888	1.2
255.15869	8.9
269.17484	9.6
281.39188	0.9
287.18527	3.7
301.20016	3.0
344.51736	1.1
423.27438	48.4
437.28915	7.1
449.29007	100.0
450.29333	2.2
463.30417	1.2
481.31641	33.0
678.35712	1.6
679.32422	1.2
689.46448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05497	9.1
57.03425	11.5
60.08158	3.4
61.02884	3.2
67.05507	33.8
69.03416	5.2
70.06580	7.1
71.04982	3.0
71.07355	3.1
71.49393	3.4
79.05495	15.2
81.03421	51.8
81.07060	22.3
83.04971	6.7
83.08614	14.1
85.02899	11.3
85.06508	3.8
86.09695	24.2
90.56881	2.2
91.05484	82.7
92.78313	2.6
93.07050	15.7
95.04973	26.8
95.08585	7.0
96.04488	13.7
97.02885	3.9
97.06554	2.7
97.10171	3.3
104.10758	2.7
105.07034	44.5
107.04929	4.4
107.08579	10.6
109.06502	5.5
109.10141	6.8
109.30338	2.3
111.04492	2.5
111.08061	4.5
116.49003	2.7
117.07010	7.9
119.04907	4.2
119.08603	18.5
121.06520	3.2
121.10111	8.9
123.04433	2.7
123.08085	2.9
123.11679	4.0
124.99987	14.4
127.03938	3.1
129.06955	6.2
131.08551	10.2
133.10133	96.5
135.11685	4.7
137.06020	2.9
137.09563	3.5
143.08580	5.5
145.02856	4.6
147.04367	5.5
147.08066	3.2
147.11655	8.8
149.09630	6.9
151.11176	10.3
157.10117	9.5
161.09604	16.5
163.11159	4.5
171.11609	2.8
175.11150	7.6
177.05469	8.0
178.05786	3.9
179.10654	6.1
184.05801	5.3
184.07344	68.0
184.64836	2.6
189.25362	2.6
193.12202	17.5
207.06552	5.4
211.13303	6.7
227.12845	3.1
253.14360	51.6
267.15906	81.0
271.15402	12.4
283.15240	3.0
285.16840	10.2
299.15054	2.7
445.25861	100.0
463.26721	25.3
481.27933	28.0
678.35583	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01883	1.5
55.05515	8.8
57.03435	5.1
57.07074	2.7
61.02932	14.1
65.03934	1.8
67.05507	49.2
68.56158	1.0
69.03420	3.3
69.07067	11.6
71.01327	1.2
71.04975	2.2
71.08602	1.2
73.02931	5.5
73.69099	1.2
79.05495	32.3
81.03404	3.5
81.07059	56.2
83.04964	1.3
83.08606	6.5
83.29951	1.0
84.44279	1.1
85.02910	15.0
85.06531	1.5
91.03963	11.9
91.05481	18.3
93.07047	39.4
95.05024	1.5
95.08614	39.7
97.02904	8.3
97.06498	1.7
97.10160	1.7
98.20794	2.3
99.04473	3.0
99.08073	1.4
105.07042	12.6
107.08594	24.3
109.02907	2.0
109.10167	21.7
111.08088	1.9
113.09690	1.2
117.06992	7.1
119.08597	11.3
121.10155	24.8
123.08052	2.1
123.11693	10.6
125.09663	1.6
127.03924	4.4
131.08572	13.1
133.10158	10.1
135.11703	16.9
137.09695	1.2
137.13266	4.2
145.04984	5.2
145.10141	10.6
147.11717	9.0
148.45044	1.1
149.13254	14.7
151.11194	1.3
151.14813	1.9
159.11691	9.2
161.13297	4.5
163.06006	6.4
163.11166	1.3
163.14798	6.7
165.12764	1.9
173.13300	10.7
175.14868	2.4
177.16446	3.8
179.14313	1.5
184.07344	1.4
187.14784	5.7
191.14249	1.7
201.16417	1.5
205.15926	1.7
233.22606	1.6
235.13075	2.0
243.08598	1.9
243.21045	18.9
245.22527	1.1
261.22144	56.1
279.23251	2.7
335.25836	17.1
353.26862	17.4
453.20734	5.3
465.21027	5.2
497.31033	1.9
517.88654	1.2
564.57306	1.1
624.83484	1.3
654.46405	1.3
677.35071	100.0
678.35272	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	677.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
57.03443	0.4
57.07070	0.3
60.04114	0.3
66.05182	0.3
67.05511	1.5
68.05834	0.2
68.72061	0.2
69.07066	0.4
70.06595	0.5
71.49409	0.3
71.50166	0.3
79.05485	0.8
81.03406	0.6
81.07053	1.0
83.08605	0.4
83.87556	0.3
88.07650	0.3
91.05493	1.0
93.01043	0.3
93.07040	0.8
95.08588	0.6
105.07043	0.6
107.08591	0.7
109.10179	0.4
117.07021	0.4
119.08594	0.5
124.12054	0.3
133.10124	0.5
135.11664	0.5
147.11650	0.4
149.02370	0.7
159.11731	0.3
171.11723	0.3
185.04269	0.9
193.04962	0.4
203.05318	1.5
256.26349	1.2
259.07938	1.1
303.41998	0.3
309.31915	0.3
330.91269	0.3
347.09549	0.8
365.10599	3.1
421.13147	1.1
515.31921	20.1
516.31976	0.4
543.97974	0.3
565.51880	0.3
677.37140	100.0
678.37561	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	677.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05507	1.3
55.09029	0.3
57.03437	0.8
61.02933	3.7
67.05508	6.2
69.03415	1.8
69.07055	2.0
70.06590	0.5
71.04993	0.5
71.50360	0.5
73.02924	2.2
78.34753	0.3
79.05492	4.6
81.03411	1.2
81.07062	7.5
83.05009	0.5
83.08622	1.2
85.02906	3.5
86.09686	0.4
87.04462	0.4
91.03961	2.0
91.05479	3.0
93.07043	5.9
95.04971	1.1
95.08608	3.8
97.02903	3.2
97.06533	1.1
97.10155	0.5
99.04492	0.5
101.02391	1.5
105.07042	2.4
107.08601	3.1
109.06531	0.7
109.10155	1.9
117.07027	0.8
119.08601	1.8
121.10175	2.4
123.11723	0.9
125.00102	0.4
127.03941	1.1
129.07022	0.6
131.08580	1.0
133.10123	1.7
135.07974	0.3
135.11690	1.8
143.08658	0.6
145.04985	0.4
145.10141	0.9
147.11716	1.3
149.13286	2.0
151.11200	0.5
159.11720	1.4
161.13322	0.7
163.14810	0.5
171.11720	1.1
173.13283	0.7
184.07396	1.1
231.42612	0.4
235.13176	0.7
243.08417	1.8
243.21136	1.1
247.13165	1.1
261.22141	4.4
269.17511	0.4
292.51678	0.3
296.60898	0.5
303.15649	0.4
334.32440	0.4
334.45361	0.4
335.26010	1.5
353.26932	1.5
421.33432	0.4
453.20959	6.5
465.20956	5.7
515.30273	0.4
593.90778	0.4
677.35052	100.0
678.35095	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	677.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05508	1.1
57.03426	1.8
58.08936	0.6
61.02925	3.9
61.82064	0.6
62.35287	0.6
67.05209	0.7
67.05508	5.9
69.03423	2.3
69.03779	0.6
69.07043	1.5
69.28052	0.6
70.06596	1.0
71.04993	1.4
73.02915	3.4
75.22742	0.6
79.05498	5.6
81.03403	2.8
81.07067	7.3
83.04987	1.2
83.08612	2.0
85.02908	4.2
86.09666	0.8
87.88615	0.6
90.99957	0.6
91.03951	2.8
91.05483	4.1
93.07043	5.2
95.05002	1.3
95.08611	2.2
97.02905	3.2
101.02395	1.1
105.07031	2.5
107.04910	0.9
107.08604	3.3
109.02891	0.8
109.06496	0.7
109.10190	1.9
117.07027	0.9
119.08581	2.2
121.10183	1.2
123.08073	0.9
127.03934	1.2
129.07051	0.7
133.10161	1.6
135.11694	1.3
143.08580	0.9
145.10208	1.0
147.11694	1.5
149.13284	1.1
159.11734	1.2
161.13330	0.8
171.11661	1.2
184.07329	0.9
243.08421	1.9
283.16464	0.7
422.26157	1.0
447.27634	1.3
448.27750	2.4
453.20837	5.4
465.20923	6.3
603.06360	0.8
677.35059	100.0
678.35278	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	677.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01873	4.2
55.05511	6.1
57.03439	1.8
59.88637	0.6
65.03935	1.2
67.01851	0.6
67.05504	3.2
68.99793	3.4
69.03434	1.5
69.07074	1.9
69.13916	4.6
69.14336	1.5
70.06598	4.1
72.08159	1.2
79.05490	1.6
80.73652	0.5
81.03401	1.8
81.07064	2.4
83.04984	1.0
84.08148	1.5
85.02879	0.9
86.09696	2.5
89.03913	1.4
91.05475	1.7
93.03380	1.4
93.07072	1.1
95.04966	2.3
95.08619	2.4
97.02892	2.1
97.06528	3.2
103.05469	1.7
105.03412	1.3
105.06999	1.0
106.47939	0.6
107.04955	4.8
107.08608	0.6
109.02879	2.2
109.06509	1.4
110.07188	0.7
111.00829	1.5
111.04436	1.9
113.09644	0.6
115.05431	0.7
117.03415	1.0
119.04939	2.4
120.08105	0.8
121.02865	0.9
121.06519	1.1
121.10170	0.5
123.04427	32.6
123.08075	1.7
125.05974	1.0
127.03916	36.2
128.04266	0.7
129.10240	1.0
131.04936	2.5
133.06516	1.0
135.04413	58.0
136.07584	1.6
137.02321	0.7
137.05971	4.1
137.09630	1.6
139.03899	100.0
140.04257	1.1
141.09126	0.6
143.05029	0.6
145.06467	0.8
147.04405	10.2
149.05983	3.1
149.09621	0.8
151.03915	8.5
151.07649	0.9
153.05449	2.0
153.06912	0.7
154.44551	0.6
157.06425	0.8
159.04414	2.8
159.32321	0.6
161.05975	4.5
163.03903	68.4
164.04565	0.7
165.05479	21.9
165.06903	1.2
165.09071	1.1
167.03339	0.8
169.06514	1.1
173.05997	1.5
175.03938	2.8
175.07465	1.0
176.04678	0.6
177.05444	6.8
179.03398	12.9
179.07050	1.9
181.08594	75.0
183.04390	1.1
185.06004	1.4
187.03865	5.7
187.07526	1.3
189.05511	3.8
189.09132	1.1
191.03378	2.5
193.04982	0.6
193.08559	1.4
197.05940	1.5
199.07426	0.7
201.05392	3.3
203.03465	1.9
203.06935	2.8
205.04933	4.2
205.08478	1.0
207.06584	1.5
207.08240	1.0
207.10164	16.1
209.05974	0.7
211.03903	0.7
211.07518	0.6
213.05449	4.7
215.03383	1.9
215.06963	2.1
217.05017	1.2
219.10088	3.6
221.07997	4.2
225.11217	44.7
227.07008	2.3
229.04984	4.0
229.08609	0.9
229.75180	0.7
231.06496	1.7
233.04369	0.8
233.07906	0.7
235.62370	0.6
237.05412	1.8
239.06898	0.7
241.05005	2.1
242.05574	0.6
243.06517	2.3
245.04475	2.8
247.06026	1.8
247.09662	1.3
255.06522	5.4
255.09993	0.8
257.04593	2.8
259.05984	3.1
259.09750	1.1
265.04971	1.2
265.10739	5.1
267.06403	1.0
269.04413	2.8
269.11703	1.1
270.05127	1.6
271.06015	6.7
273.07581	3.7
279.10275	0.8
281.08032	1.1
283.06049	15.3
283.09262	1.1
285.07642	1.2
287.05557	0.7
289.07025	11.3
297.08197	0.8
297.11215	3.2
299.05450	3.2
299.09091	1.8
299.12549	0.8
301.07135	10.6
301.10614	2.0
307.09839	0.8
309.07635	1.4
309.11035	1.0
311.05795	1.0
311.09146	4.7
313.07217	1.2
313.10660	1.6
315.08655	1.8
315.12134	1.3
323.12891	0.7
325.07013	1.5
325.10660	16.8
327.08636	16.4
327.12219	1.9
329.10211	1.1
337.10562	1.0
341.10254	1.7
343.11758	66.9
344.12085	1.0
345.13174	2.0
351.12411	3.2
355.11734	2.9
367.11740	1.5
369.13324	29.5
371.14813	1.6
373.12704	2.4
385.12833	1.9
387.14380	54.5
388.14664	1.1
411.10709	0.9
427.56107	0.6
435.10645	0.7
463.13699	3.0
489.15518	1.1
507.16550	7.8
525.17950	1.4
635.85400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10159	0.7
53.03934	1.5
54.38623	0.7
55.01873	4.4
55.05506	4.2
57.03428	2.3
63.57689	0.7
65.03949	0.9
67.05486	2.7
68.88486	0.8
68.99785	3.0
69.03435	1.0
69.07059	2.0
69.20066	5.3
69.20492	2.1
69.25916	0.6
70.06589	1.6
72.08125	1.0
73.02901	0.9
77.95721	0.8
79.05473	2.2
80.37048	0.7
81.03411	1.8
81.07050	2.2
83.04948	1.0
84.08131	1.6
85.02898	1.4
86.09697	2.2
89.03897	1.3
91.05467	1.9
93.03380	1.2
93.07043	2.2
95.04959	4.7
95.08589	1.6
97.02850	1.2
97.06513	3.5
103.05441	1.6
105.45403	0.8
107.04948	6.1
107.08654	0.9
109.02903	2.0
109.06512	1.7
111.04471	1.8
112.61095	0.8
117.03395	1.2
119.04934	1.7
120.08087	1.0
121.06524	0.9
123.04427	29.1
123.08038	0.9
127.03915	39.6
131.04897	3.6
133.06494	1.2
135.04408	56.4
136.07587	1.2
137.02235	0.9
137.05975	3.9
137.09645	1.0
139.03896	100.0
141.09163	0.8
146.32408	0.9
147.04413	7.3
149.05992	4.1
151.03912	6.4
151.07472	0.8
153.05473	0.9
153.07047	0.8
159.04425	2.6
161.02371	1.1
161.05981	4.2
163.03891	68.2
164.04573	1.4
164.07002	1.2
165.05482	20.3
165.06868	1.3
167.07085	0.9
172.52063	0.8
173.05898	2.6
175.03931	3.3
177.05487	5.4
177.06821	1.2
178.05865	0.8
179.03395	11.4
179.07036	1.1
181.08585	78.2
185.06006	2.6
187.03854	5.9
189.05479	3.0
191.03426	1.7
193.08603	0.9
199.07436	1.1
201.05481	3.2
203.03406	2.3
203.06999	2.8
205.04973	4.4
205.08549	0.9
207.06413	1.2
207.10129	14.1
209.05904	1.2
213.05489	3.8
215.03433	1.8
215.06955	1.6
217.08405	0.9
219.10242	0.8
221.08052	3.8
225.05460	1.1
225.11206	43.1
227.06981	1.7
229.05002	3.4
231.06563	1.3
231.10187	1.1
237.05362	1.8
239.07071	1.0
241.04932	3.3
243.06531	2.9
245.04495	1.3
247.06009	1.5
247.09825	1.0
251.10683	1.1
255.06526	4.9
255.10216	1.3
257.04388	2.4
259.06006	1.9
265.04968	1.1
265.10663	3.8
269.04443	3.4
270.05276	1.3
271.06027	6.4
271.09918	0.7
273.07520	3.7
281.08115	1.0
283.06012	16.1
289.07034	10.6
291.09296	0.9
297.07944	1.7
297.11307	2.8
299.05435	2.9
299.08795	1.3
299.13000	1.3
301.07025	7.2
301.10678	2.2
303.08475	0.9
309.07462	2.2
309.11017	1.3
311.05734	1.3
311.09006	4.2
313.10773	1.0
315.12149	1.2
323.12988	1.1
325.07004	1.2
325.10703	19.7
327.08649	15.3
327.12161	1.5
329.10117	1.0
341.10233	1.9
343.11752	66.9
344.11948	1.4
345.13245	2.4
351.12354	2.9
355.11664	4.3
367.11813	1.4
369.08685	1.5
369.13318	27.5
373.12933	2.9
373.54865	0.8
373.87036	0.8
385.12833	1.1
387.14365	63.7
388.14856	1.2
411.10892	1.3
463.13754	2.7
489.15237	2.0
507.16586	6.9
525.17499	1.1
610.81787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01859	5.5
55.05513	18.5
57.03184	1.7
57.03437	15.1
59.04989	2.8
61.02917	4.8
65.03920	2.6
66.25856	1.3
67.05502	48.1
67.07464	1.4
69.03413	5.0
69.06732	1.7
69.07069	18.1
70.06581	2.4
70.90923	1.5
70.91249	1.7
71.01343	4.2
71.04979	4.4
73.02913	2.2
79.05492	46.5
81.03419	14.6
81.07050	42.2
83.04977	9.9
83.08621	12.4
84.08110	1.7
85.02882	4.4
85.06539	3.8
86.09695	5.5
91.03966	1.5
91.04908	1.8
91.05478	36.7
93.07041	50.6
95.04959	10.9
95.08609	12.2
97.02882	4.2
97.06534	12.4
97.10176	8.8
99.00813	11.3
99.08064	2.4
105.07026	23.8
107.04941	7.2
107.07889	2.0
107.08592	38.1
109.02888	9.4
109.06476	3.9
109.10162	10.2
111.04395	1.4
111.08063	5.3
115.03902	2.2
117.07016	8.2
119.04943	1.5
119.08574	17.3
121.06485	4.3
121.10138	18.6
123.04416	2.0
123.08079	2.1
123.11690	3.8
124.99996	3.6
125.09615	1.9
127.03915	2.9
128.06213	1.3
129.06982	5.6
131.08588	9.9
133.10120	29.8
135.08040	3.1
135.10709	2.6
135.11688	40.4
137.09515	1.7
139.07521	3.1
141.06892	1.7
142.27005	1.3
143.08545	6.4
145.10123	12.2
147.08026	1.9
147.11707	9.8
149.09639	8.1
149.13260	5.9
151.11162	8.4
157.10114	7.5
159.11699	4.0
161.09621	15.1
163.11162	7.3
167.08553	1.7
171.07982	3.6
173.04378	1.3
175.11182	7.0
177.05353	1.4
179.10710	6.4
181.12234	7.0
184.07323	11.4
185.13185	1.7
189.09119	6.3
193.12227	6.1
195.13750	2.8
197.11713	2.8
199.13240	1.9
211.13220	3.8
225.11188	7.2
227.12862	1.5
243.12248	2.1
249.14891	1.7
255.15907	61.4
267.15930	13.3
269.17456	20.0
280.50824	1.5
281.13800	7.2
285.16885	2.0
299.14874	41.3
435.27695	3.9
443.27942	3.4
447.27390	4.3
461.29025	33.4
470.96942	1.8
479.25870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45094	0.8
55.05519	0.9
56.35419	0.8
70.56545	2.9
71.56113	0.8
93.57867	0.8
148.35829	0.9
198.47861	0.8
402.18365	1.1
403.19376	3.0
404.20084	1.0
405.20874	1.9
416.20184	1.3
417.21124	3.1
417.33981	0.9
418.21738	1.6
419.22482	3.6
430.17667	0.9
431.17990	6.9
431.23871	1.1
432.18842	1.4
433.24353	7.3
445.19983	9.0
446.20840	6.0
447.21466	4.3
459.21674	5.6
460.22556	10.7
461.23318	11.2
473.23651	4.4
474.23993	1.2
487.24939	2.5
491.20316	1.0
492.25284	1.5
505.22519	2.5
517.26208	1.8
519.23853	1.1
533.25555	13.5
534.26324	1.8
535.27075	2.3
587.33551	1.9
593.27496	3.2
615.33344	14.5
643.33282	1.0
675.35431	100.0
676.36011	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	674.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
55.05514	52.1
57.03447	14.5
57.07076	6.5
59.04993	3.8
61.02957	3.7
65.94371	2.5
67.05510	65.1
69.03434	4.3
69.07075	20.6
71.04994	6.5
71.08620	3.2
71.50214	2.6
71.50608	3.1
75.33302	2.7
75.89325	2.8
79.05499	58.7
81.03439	6.8
81.07060	78.1
83.04979	5.5
83.08623	29.2
85.02894	4.1
86.09703	6.4
89.06046	4.8
91.05487	26.2
93.07053	44.9
95.04994	5.0
95.08611	44.7
97.06570	4.4
97.10168	42.0
99.08068	4.1
105.07017	16.9
107.08608	40.4
109.06551	2.8
109.10159	24.1
117.07020	4.2
119.08592	16.7
121.10155	26.0
123.11729	10.5
125.00041	4.3
125.09628	23.3
131.08586	13.7
133.10136	17.2
135.11713	19.2
137.13269	4.6
145.10159	9.9
147.11713	9.7
149.13298	13.4
151.11121	3.1
159.11702	10.2
161.13266	8.9
163.14796	6.1
173.13217	6.7
175.14760	2.8
177.16339	2.5
184.07353	9.6
187.14778	4.9
215.12875	5.5
217.14359	100.0
243.21100	14.9
261.22202	43.6
291.19360	2.9
335.25836	67.3
337.27426	6.1
353.26834	8.3
385.30920	2.8
403.31915	9.2
477.35828	61.4
495.36609	5.9
533.37964	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	674.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.07078	56.4
59.05002	13.4
67.05499	1.9
69.07066	1.6
69.33131	1.0
69.33537	4.1
71.08635	56.9
73.02925	0.9
73.06553	3.8
78.15551	0.6
79.05493	1.2
81.07071	1.9
83.08620	1.6
85.10184	49.9
86.09716	2.3
87.04473	13.7
87.10042	1.0
89.06033	100.0
90.06377	0.8
91.05499	1.9
91.07619	0.8
93.07037	1.6
95.04955	0.7
95.08613	1.3
97.10195	1.2
97.23264	0.6
98.21534	1.2
99.11721	5.9
99.46979	0.6
103.07590	6.2
105.07043	1.2
107.07105	1.3
108.71397	0.5
109.10184	0.9
117.09151	3.4
121.10162	0.8
125.00014	2.6
127.14804	1.0
130.08652	1.3
131.07042	4.5
133.08609	71.6
135.10159	1.1
141.16368	3.9
161.11774	1.1
175.09659	4.1
177.11238	27.5
179.12766	0.6
184.07339	8.4
185.07724	2.2
185.18993	0.7
186.07875	1.0
199.20636	3.9
219.12228	1.8
221.13872	5.9
222.74583	0.6
239.14777	1.0
243.23219	4.8
265.16501	1.8
269.79886	0.6
276.16177	1.3
283.17569	1.5
294.17075	1.1
309.19049	1.0
327.20114	1.0
335.25833	0.9
353.21933	1.0
371.23004	1.8
415.25650	1.8
459.28058	7.8
499.31476	1.0
533.38245	1.9
657.48383	1.5
674.50616	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05305	0.7
55.05509	7.1
57.03436	8.0
57.07077	2.0
61.02919	2.8
61.59877	1.0
64.79897	0.9
65.03941	1.4
67.05506	32.1
69.03431	1.3
69.07070	12.3
69.80996	3.9
71.04996	3.3
76.67876	1.0
79.05497	25.1
81.03418	4.0
81.07059	39.5
83.04978	5.1
83.08628	11.5
85.06522	1.5
91.05485	15.6
93.07047	39.7
95.04987	5.8
95.08604	26.6
97.02888	3.5
97.06525	6.6
97.10167	1.9
99.04454	2.7
99.08081	2.2
105.07026	9.5
107.04968	5.4
107.08600	27.4
109.06519	2.1
109.10147	3.0
111.04432	1.4
111.08081	2.7
117.07019	8.5
119.08569	7.3
120.73505	0.9
121.06546	4.2
121.10149	15.1
125.05965	2.3
127.07545	1.0
131.08598	5.4
133.10138	10.8
135.08089	1.9
135.11699	32.5
135.12744	2.1
143.08533	2.0
145.10132	16.8
147.11690	2.9
149.09627	2.1
149.13260	15.2
151.11195	1.0
157.10127	1.4
159.11700	6.6
161.09578	1.8
163.11180	38.5
177.12741	3.0
181.12239	5.3
195.12288	1.1
195.13747	5.7
202.96654	1.0
206.84430	1.0
209.11653	1.0
227.12787	37.9
228.13176	1.1
240.10918	1.0
242.20874	1.1
253.14313	4.2
267.15970	7.7
269.17487	72.5
283.15408	28.4
414.77463	1.1
445.25821	6.2
459.27499	1.9
463.26343	1.5
477.28497	100.0
478.28741	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	674.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
55.05514	52.1
57.03447	14.5
57.07076	6.5
59.04993	3.8
61.02957	3.7
65.94371	2.5
67.05510	65.1
69.03434	4.3
69.07075	20.6
71.04994	6.5
71.08620	3.2
71.50214	2.6
71.50608	3.1
75.33302	2.7
75.89325	2.8
79.05499	58.7
81.03439	6.8
81.07060	78.1
83.04979	5.5
83.08623	29.2
85.02894	4.1
86.09703	6.4
89.06046	4.8
91.05487	26.2
93.07053	44.9
95.04994	5.0
95.08611	44.7
97.06570	4.4
97.10168	42.0
99.08068	4.1
105.07017	16.9
107.08608	40.4
109.06551	2.8
109.10159	24.1
117.07020	4.2
119.08592	16.7
121.10155	26.0
123.11729	10.5
125.00041	4.3
125.09628	23.3
131.08586	13.7
133.10136	17.2
135.11713	19.2
137.13269	4.6
145.10159	9.9
147.11713	9.7
149.13298	13.4
151.11121	3.1
159.11702	10.2
161.13266	8.9
163.14796	6.1
173.13217	6.7
175.14760	2.8
177.16339	2.5
184.07353	9.6
187.14778	4.9
215.12875	5.5
217.14359	100.0
243.21100	14.9
261.22202	43.6
291.19360	2.9
335.25836	67.3
337.27426	6.1
353.26834	8.3
385.30920	2.8
403.31915	9.2
477.35828	61.4
495.36609	5.9
533.37964	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	674.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
53.03945	2.1
55.01869	2.2
55.05271	1.0
55.05513	13.4
57.03437	7.5
59.04992	2.1
61.02916	2.8
62.94144	0.6
65.03933	2.2
67.05502	26.6
69.03433	1.8
69.07063	2.3
69.18336	7.6
70.06593	1.1
71.01346	0.7
71.04982	2.1
73.02927	1.0
77.00902	0.6
79.05492	13.0
79.05921	1.3
81.03417	4.8
81.07060	16.9
83.04961	2.4
83.08622	8.6
85.02892	3.0
85.06557	1.5
86.09706	1.8
91.05481	73.6
93.07039	15.3
95.04962	7.0
95.08620	5.2
97.02901	3.4
97.06506	3.4
97.10168	2.8
98.20721	1.5
99.00825	11.8
103.05476	1.5
105.07034	35.1
107.04938	4.0
107.08593	9.4
109.02879	7.2
109.06514	3.5
109.10152	4.6
111.04436	2.8
111.08074	3.1
115.03925	2.0
115.05444	0.9
117.07008	5.9
119.04888	0.9
119.08585	10.4
121.06519	6.4
121.10181	1.3
123.04438	2.2
123.08070	1.6
123.11704	2.3
125.09650	1.5
127.03920	1.3
128.06215	2.2
129.06990	0.9
131.08568	4.6
133.06512	1.7
133.10132	100.0
134.10516	0.9
135.08023	1.7
135.11664	3.4
137.06012	1.0
137.09604	1.1
139.07571	2.1
143.08562	8.2
145.06483	1.4
145.10112	2.1
147.04362	0.9
147.08064	1.3
147.11723	1.5
149.09509	0.9
151.11171	10.7
157.10060	0.7
159.08080	1.0
161.09619	27.9
163.11243	2.5
171.08052	3.0
179.10678	9.1
184.07353	2.1
189.09135	6.8
189.10904	1.1
197.11729	5.2
207.10162	2.8
216.47708	0.8
225.11212	7.9
227.12790	0.8
253.14346	49.2
269.17456	1.8
281.13824	5.5
283.15356	1.4
287.16385	0.7
299.14890	65.7
300.15314	1.6
367.22580	1.5
385.23749	3.3
403.24850	1.1
459.27615	12.9
477.24472	79.0
478.25214	2.9
489.30988	0.8
495.29300	1.8
515.60028	0.9
572.23370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	0.9
55.04258	0.5
57.03453	0.5
58.12185	0.3
67.65861	0.4
68.99785	0.6
69.03442	0.4
70.06595	100.0
70.67551	0.4
70.67877	1.0
79.05511	0.7
80.97527	0.4
81.03436	0.7
89.03954	0.8
91.05502	1.0
93.03435	0.8
93.07098	0.5
95.04994	0.7
96.08150	0.9
99.81093	0.4
103.05486	0.5
105.07044	0.6
107.04990	1.6
109.06529	0.9
111.04487	0.7
111.41061	0.4
117.03347	0.4
119.04971	1.6
121.02911	0.4
123.04432	8.1
124.78397	0.4
125.15775	0.4
131.05011	0.7
135.04419	21.8
137.02351	0.6
137.06000	5.4
138.09181	0.4
139.03914	6.2
147.04466	1.7
149.05992	0.7
151.03914	0.9
153.05530	1.6
159.04436	0.9
161.05940	1.1
163.03909	24.8
164.04546	0.5
165.05476	13.7
165.06915	0.7
173.05966	0.7
175.03967	0.7
177.05457	2.2
187.03928	3.4
189.05559	1.1
201.05466	1.1
205.05035	1.6
211.07605	0.8
213.05547	0.8
215.06955	0.8
217.04987	0.5
229.04962	2.3
239.07149	1.0
241.05080	1.0
243.06583	0.9
255.06648	0.9
259.06125	1.1
267.06668	1.5
269.08081	0.8
271.06033	3.8
281.08231	0.5
283.06070	1.7
285.07593	8.0
285.10687	0.5
295.06137	1.7
297.07626	1.3
299.09225	1.2
301.07153	2.6
309.07629	2.2
310.10574	0.5
313.07068	3.1
315.08792	1.9
325.07150	3.2
327.08609	5.5
329.59302	0.4
338.10416	0.6
384.14386	5.9
411.10672	1.0
428.58160	0.4
435.10876	0.9
447.10748	2.3
453.11932	0.9
465.11920	4.7
563.50812	0.4
605.16455	1.3
617.16565	6.0
674.22253	21.5
675.22839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	1.1
55.04248	0.8
68.99782	1.0
69.76644	0.5
70.06591	100.0
71.06933	0.6
71.13999	1.1
81.03410	1.1
81.07072	0.5
82.62234	0.5
85.00269	0.5
91.05478	0.9
93.03410	0.7
93.34682	0.5
103.05489	0.6
107.04961	1.7
109.06509	0.8
111.04413	0.6
119.04926	1.2
123.04433	8.7
131.04930	0.8
135.04411	23.4
137.02295	0.5
137.05989	5.4
139.03879	6.0
140.52267	0.4
147.04424	1.7
151.03937	1.8
153.05502	1.7
159.04433	1.1
161.05959	0.7
163.03900	22.8
165.05472	16.4
177.05440	1.2
187.03894	3.7
201.05598	0.9
205.05064	2.4
207.06508	0.6
211.07503	0.7
215.07066	1.7
229.04964	2.3
239.07045	1.0
241.04929	0.8
243.06464	0.8
255.06537	0.9
257.08051	0.5
259.06174	1.1
267.06589	1.9
269.08099	0.8
270.05557	0.5
271.05969	4.5
273.07568	0.8
283.06122	2.4
285.07529	9.0
295.05917	2.4
297.07559	1.4
301.07117	2.9
309.07642	1.3
313.06924	3.0
315.08743	1.2
325.07111	4.1
327.08569	4.1
384.14359	2.4
411.10962	1.6
435.10587	1.0
447.10620	2.6
453.11832	1.7
465.11691	5.2
605.16730	1.2
617.16492	6.1
674.22253	27.6
675.22760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.0
55.01869	4.7
55.05271	1.9
55.05514	24.5
56.73163	1.3
57.03440	12.3
57.07081	7.0
60.08138	1.4
60.95922	1.4
62.42752	1.3
63.08897	1.4
65.03935	3.8
67.05509	89.5
68.05829	4.2
69.03087	2.1
69.03439	27.5
69.07074	22.9
70.09160	3.5
70.09552	2.6
71.04990	6.7
71.08630	2.9
79.05500	55.9
80.05829	2.9
81.02998	1.7
81.03426	23.5
81.07063	84.4
82.07377	4.2
83.04985	9.6
83.08630	16.3
85.02900	6.5
85.06544	4.1
85.10169	2.3
86.09707	6.7
87.04478	3.1
89.06033	4.0
91.05484	49.0
91.67714	1.5
92.05794	1.8
93.07050	68.8
94.07359	3.7
95.04980	13.0
95.08614	100.0
96.05276	2.1
96.08950	15.7
97.02899	7.6
97.06533	9.6
97.10169	3.7
99.04447	4.0
103.05475	2.4
105.04514	3.4
105.07040	39.2
106.07380	2.3
107.04940	4.5
107.08602	36.6
108.08932	2.5
109.02867	4.2
109.06527	7.6
109.10170	16.3
110.10500	2.3
111.04442	5.2
111.08098	5.3
112.50179	1.6
115.05439	2.2
117.07028	22.9
119.04932	2.7
119.08595	22.3
121.06527	3.5
121.10159	21.0
123.08064	6.7
123.11746	7.9
124.99998	4.7
125.09609	3.3
127.03894	2.7
128.06218	2.5
129.05478	2.4
129.07019	11.3
131.08588	23.9
133.06509	3.0
133.08606	1.8
133.10143	20.7
135.08022	4.4
135.11707	15.3
137.05966	2.5
137.13326	1.9
141.07008	4.1
141.09122	5.2
142.07758	2.5
143.08585	8.2
145.06459	2.8
145.10121	15.0
147.07986	2.9
147.11705	13.6
149.09624	4.8
149.13280	11.9
151.11198	2.7
153.06905	2.1
153.12787	1.6
155.08594	4.6
157.06537	2.8
157.10144	6.2
159.08043	2.2
159.10184	5.8
159.11694	14.6
159.12912	2.1
160.10443	2.0
160.12149	1.4
161.09625	4.2
161.13249	6.8
163.11172	4.2
163.14879	1.8
165.06978	1.5
165.12749	2.9
167.08527	1.8
167.71991	1.6
169.10158	4.2
171.07965	1.9
171.11703	6.8
173.09641	3.6
173.13281	7.8
175.14865	1.8
177.12755	4.9
179.08510	1.7
181.10110	2.0
183.11723	5.2
184.07330	20.1
184.08823	2.2
185.09578	1.8
185.13287	5.4
187.10994	1.8
187.14752	3.5
189.12732	2.1
193.12210	1.6
195.11769	3.1
195.13815	6.8
197.09586	1.7
197.13185	3.2
199.14893	3.2
201.12590	1.6
209.13280	2.7
213.11160	1.9
214.11549	1.9
215.12781	31.8
216.13133	12.6
225.12718	2.5
231.25719	1.9
239.14380	1.8
243.21135	2.6
259.20502	3.4
261.22202	8.0
262.22534	5.7
269.17563	13.0
277.21661	3.6
289.21719	1.7
297.17154	1.9
301.21655	5.0
311.19553	1.5
313.21561	1.9
319.22827	1.6
327.23215	2.5
329.91574	1.6
335.25839	18.3
336.26169	25.0
339.18204	2.5
339.22812	1.8
351.23245	6.9
361.64240	1.5
369.24298	11.7
371.52429	1.7
387.25278	4.9
395.20313	2.4
405.26514	1.6
443.27777	2.6
461.28854	5.8
463.30411	1.9
475.34259	5.6
476.34537	22.8
494.35880	2.3
527.34692	1.7
529.38898	2.0
581.37677	1.6
637.40710	9.1
655.42078	8.9
673.31946	2.3
673.43127	35.5
674.42432	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	673.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
53.17666	2.5
55.01865	7.9
55.05512	25.1
57.03430	11.1
57.07069	6.0
59.04998	3.6
65.03924	7.2
67.05507	82.7
69.03431	39.8
69.07078	31.1
71.04987	7.8
71.08615	4.3
77.03908	2.8
79.05494	76.1
81.03424	26.5
81.07057	100.0
83.04964	14.0
83.08612	18.4
85.02885	8.3
85.06554	4.7
87.27995	2.4
89.06030	6.1
91.05482	66.2
93.07047	69.5
95.04977	19.2
95.08056	4.6
95.08607	43.8
95.10259	2.2
97.02892	5.7
97.06527	11.1
97.10181	4.9
99.08090	3.4
103.03912	2.3
104.11029	2.4
105.07027	39.2
107.04952	5.7
107.08588	46.5
108.95092	3.1
109.02875	5.6
109.06518	9.7
109.10153	13.1
111.04446	8.0
111.08080	4.8
115.05468	4.1
117.07024	23.9
119.08591	29.1
121.06501	4.8
121.10120	21.1
122.90612	2.6
123.08105	4.4
123.11689	6.7
127.03844	2.8
128.06187	3.2
129.07019	12.9
131.04933	4.9
131.08569	30.4
133.06480	5.5
133.08549	4.0
133.10143	31.3
135.08052	6.8
135.11685	18.8
137.09659	4.8
142.07823	4.2
143.08559	13.0
145.06525	5.5
145.10100	19.2
146.40167	2.7
147.08044	9.6
147.11688	19.8
149.09604	4.7
149.13251	17.0
155.08563	5.9
157.10092	8.4
159.08073	6.8
159.11697	15.6
161.09656	5.1
161.13237	4.9
163.14792	3.5
165.12698	3.7
169.10143	5.2
171.11688	9.4
173.09645	5.4
173.13272	8.0
175.11240	7.7
177.12706	4.6
179.08588	3.7
180.32991	2.7
181.10057	4.2
183.11731	5.0
185.09589	4.3
185.13255	7.1
187.14711	4.7
189.12764	3.5
195.11697	3.0
195.13815	13.7
197.13370	3.7
199.14856	4.8
201.12743	3.9
211.14822	4.4
215.14474	3.3
227.14255	4.1
243.13779	2.8
267.16003	4.3
269.17422	19.2
273.22144	2.8
277.21631	4.6
301.21637	9.4
319.80264	2.5
351.23129	7.1
353.24463	3.5
369.24142	8.9
387.25238	7.3
395.20706	5.8
431.57541	3.3
443.28207	5.4
461.28989	7.3
529.38428	3.8
625.83044	2.7
637.40826	9.7
655.41577	9.9
673.43182	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	672.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.5
53.03940	1.3
54.31572	0.7
55.05504	3.8
56.06698	0.7
57.03428	3.5
57.07077	100.0
59.05002	57.9
59.05437	1.3
67.05502	2.9
69.07068	3.1
69.42817	5.3
71.08633	100.0
73.02909	0.8
73.73843	0.8
79.05482	2.6
79.96207	0.7
81.03415	1.3
81.07067	4.1
83.04973	0.7
83.08605	3.7
85.10187	92.0
87.04474	4.1
89.06033	31.4
91.05474	1.7
93.07051	2.1
95.08600	1.9
97.10139	1.9
99.11721	11.2
101.06016	1.4
101.09653	3.3
103.07578	3.0
105.07037	1.4
107.08607	1.6
107.13754	0.8
111.11742	1.5
117.09132	18.9
117.40887	0.8
121.10174	0.9
131.07002	0.9
133.08607	19.8
133.10115	1.1
141.16382	9.0
147.10153	0.9
159.11618	0.9
159.13753	1.1
175.09634	1.4
175.13235	0.9
177.11220	9.0
198.09700	0.9
199.20576	20.0
221.13972	0.8
239.14651	0.9
257.24786	25.3
283.17532	8.9
315.29059	1.8
341.21674	2.9
520.75073	1.0
525.59290	0.9
551.88153	0.8
672.31177	1.5
672.52319	2.2
673.42596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.1
57.03436	1.3
57.07076	100.0
59.05000	34.7
67.05505	1.9
68.95247	0.7
69.07062	1.9
69.33919	6.8
71.08631	71.1
73.06553	1.0
79.05482	1.0
81.07029	2.1
83.08620	3.0
85.10182	55.9
87.04464	4.4
89.06031	39.9
91.05493	0.9
92.50833	0.9
92.88715	0.7
93.07032	1.5
95.08597	1.1
97.10141	3.7
99.11735	10.5
99.62775	0.8
101.05982	1.3
101.09645	2.5
103.07588	0.9
113.13291	3.5
117.07075	0.8
117.09125	10.1
119.08599	1.1
128.10979	0.9
131.07014	1.6
133.08598	28.1
147.10107	0.9
155.17958	7.4
159.10239	0.7
175.09665	1.6
177.11230	10.8
181.18938	0.8
205.28207	0.9
208.36421	0.8
213.20236	1.5
213.22133	15.3
221.13869	1.8
271.26306	14.8
283.17490	0.9
327.20132	9.4
385.24393	1.5
425.27176	1.1
459.27817	1.4
672.51898	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	672.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05514	6.9
56.03191	0.7
57.03440	8.2
57.07073	2.4
61.02918	3.3
67.05507	37.2
69.07069	8.0
70.63018	2.1
71.05000	1.0
71.08627	1.4
73.02901	1.7
74.77106	0.7
79.05498	16.9
81.03418	1.6
81.06593	1.4
81.07061	21.7
83.08605	3.9
85.02909	3.3
85.06548	1.7
85.10181	0.9
87.40592	0.7
89.06013	1.0
91.03957	0.9
91.05475	10.7
93.07047	21.4
95.04970	3.2
95.08610	100.0
96.05310	0.9
96.08948	1.3
97.02901	1.8
97.06514	4.0
97.10178	1.0
105.07024	6.7
107.08595	9.5
109.10153	6.5
111.08076	0.9
117.07028	2.8
119.08578	5.7
121.06555	0.7
121.10159	8.0
123.08066	3.7
123.11715	3.4
131.08618	4.5
133.10121	5.1
135.11678	5.7
137.09705	1.0
141.09099	10.5
145.10100	3.7
147.11714	2.3
149.05986	1.2
149.13257	4.5
158.89523	0.7
159.10197	7.0
159.11726	2.3
161.13289	3.1
163.14842	2.5
171.11769	0.8
173.13266	3.1
175.14841	1.4
177.16354	0.7
187.14772	1.5
213.11279	2.2
215.12791	52.6
216.13103	0.9
224.00487	0.7
237.10358	0.7
243.21170	4.6
261.22141	14.8
273.14868	1.0
317.24826	2.5
335.25800	50.9
336.26175	1.8
365.28140	0.9
370.20667	0.9
475.34219	34.3
476.34827	1.3
488.03580	0.8
493.35385	1.4
636.39563	0.8
654.40460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.05513	5.1
57.03446	4.3
57.06795	1.7
57.07077	33.1
58.72596	0.8
61.02930	13.4
65.03934	1.1
67.05506	12.9
69.03425	2.1
69.07061	8.0
69.49591	1.4
69.50002	4.8
71.04967	1.0
71.08635	27.2
73.02916	4.7
75.04474	2.7
79.05496	6.4
80.05843	1.1
81.03420	3.4
81.07058	14.8
83.04992	1.4
83.08624	11.7
85.02441	1.2
85.02911	16.2
85.10184	16.4
89.06041	1.6
91.03953	14.4
91.05486	3.5
92.05844	1.5
93.07056	4.3
95.04964	3.2
95.08007	1.1
95.08607	23.2
97.02890	7.8
97.10165	6.3
99.04467	0.9
99.11729	1.1
105.07045	2.5
106.07356	1.1
107.08590	2.9
108.08894	1.0
109.02839	1.0
109.10152	11.0
117.07037	2.0
118.73638	0.9
119.08617	2.3
121.10128	1.3
123.11681	6.0
125.09613	1.0
125.13323	1.1
127.03910	5.8
131.04912	1.0
131.08551	1.4
133.10135	1.9
135.11697	1.1
137.05971	1.0
137.13257	2.2
143.08556	1.1
145.04953	7.7
145.06129	1.1
145.06357	1.0
157.10138	0.9
161.25540	0.9
163.06023	12.8
163.07376	1.1
163.11174	1.1
221.22672	1.6
239.23698	25.0
257.24762	3.3
273.15057	1.1
274.15350	1.1
301.14413	1.0
303.15698	1.0
313.27365	100.0
314.27725	1.9
331.28418	37.9
335.25729	1.3
336.26242	1.1
565.50543	0.9
636.39594	1.9
654.39880	1.3
672.31268	1.3
672.41541	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	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.9
57.03439	4.3
57.07077	31.2
61.02928	9.7
67.05507	9.0
69.03427	1.3
69.07070	7.0
69.27984	5.1
71.04990	1.0
71.08241	1.2
71.08633	25.0
73.02913	4.1
75.04475	1.9
79.05504	1.1
81.07063	12.5
83.08622	9.7
85.02905	13.2
85.10182	14.1
89.06010	1.1
91.03953	10.6
91.05457	0.8
93.07017	1.0
95.08609	20.7
97.02897	6.1
97.10186	4.5
98.21478	1.2
99.11702	1.2
103.07542	0.9
107.08556	0.7
109.02898	0.9
109.10156	9.6
111.11713	1.8
112.54240	0.7
115.03939	0.8
121.10104	0.8
123.11725	4.7
125.13266	0.8
127.03925	3.8
129.67416	0.5
137.13251	2.2
145.04944	5.9
147.86572	0.6
150.91515	0.6
151.14796	0.9
163.06012	9.8
184.07341	0.7
221.22655	0.7
236.57057	0.7
239.23694	25.2
239.26126	1.4
257.24722	4.8
313.27371	100.0
314.27649	1.6
331.28424	25.6
331.32370	1.3
475.32510	2.5
573.29810	0.6
672.31122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05520	7.2
57.03442	3.8
67.05507	32.0
67.05845	2.5
68.89577	1.5
69.07073	10.4
69.84727	7.2
71.05007	2.3
79.05497	34.9
81.03436	4.0
81.07058	33.4
83.04996	5.1
83.08640	5.5
84.43659	1.6
85.06545	2.3
86.47730	2.1
87.53727	1.3
90.66121	1.5
91.05480	22.3
93.07051	39.1
95.04983	7.2
95.08617	12.7
97.06540	4.8
105.07046	14.3
107.08591	12.6
109.06598	1.8
109.10196	2.4
111.08113	2.7
117.07062	5.5
119.08592	9.8
121.06548	2.4
121.10188	6.4
123.08109	3.2
128.06273	1.9
129.07040	5.3
131.08618	4.2
133.10170	5.2
134.08522	1.4
135.11722	1.7
138.26445	1.4
143.08612	3.8
145.10127	3.9
147.08138	1.4
147.11687	13.5
149.13266	11.6
159.11723	4.3
161.09682	1.5
161.13321	1.8
171.11726	8.4
184.07401	1.5
184.46030	1.5
189.12755	4.5
190.42470	1.4
195.13730	3.8
207.13747	9.0
247.41335	1.6
269.17496	22.0
281.17480	32.6
282.96634	1.5
335.95129	1.6
382.61710	1.5
385.16776	1.5
397.59366	1.5
460.49274	1.5
469.16025	1.6
475.30582	100.0
476.30585	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	671.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07458	5.7
53.03944	7.7
55.01874	9.7
55.05502	26.0
57.01267	5.3
57.07072	17.2
59.63698	5.3
64.32377	6.0
66.32059	5.3
67.05507	49.9
69.03421	16.7
69.07063	34.8
69.18253	20.4
69.18673	39.9
70.06589	37.9
71.04992	7.6
72.08161	15.2
77.04161	5.5
79.05486	24.6
81.03404	22.1
81.07056	100.0
83.08606	34.0
84.08157	12.6
85.02902	18.3
85.06541	17.7
86.09697	27.7
89.15142	6.9
91.05468	25.0
93.07045	26.1
95.04963	13.8
95.08611	85.3
97.10177	28.6
98.21554	14.0
99.04407	7.5
99.08107	13.2
105.07006	16.7
107.04957	10.3
107.08613	24.7
109.02870	12.8
109.10158	58.5
110.07170	11.7
111.08063	7.8
111.11723	11.2
119.08564	16.8
120.08123	10.2
121.10124	21.8
122.06104	7.4
123.04327	9.4
123.11727	37.2
127.03871	10.0
131.08536	8.2
133.10114	11.0
135.04324	6.3
135.11693	17.6
136.07570	8.5
137.05975	13.7
137.13234	11.6
145.02817	9.9
145.04958	7.0
146.03798	5.9
147.04385	7.2
149.09697	9.6
149.13226	13.6
151.03909	7.8
151.14830	9.5
159.11758	8.3
167.07097	7.2
175.03900	8.2
176.11639	5.6
177.05479	12.9
179.17987	10.0
207.06561	15.1
255.11417	12.7
293.28470	44.8
299.29260	13.5
311.29431	37.0
329.30539	26.9
510.42297	6.2
671.30450	19.8
671.41876	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	671.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.6
55.01877	13.8
55.05513	47.2
57.03436	14.8
57.07074	5.7
59.04993	3.8
65.03933	9.8
67.05506	89.1
68.99773	4.9
69.03424	15.3
69.07062	22.5
71.04980	5.8
71.08626	4.7
79.05494	96.3
81.03420	65.5
81.07057	86.5
83.04981	10.2
83.08621	20.5
85.02904	4.4
85.06510	4.9
87.04506	2.8
89.06039	7.0
91.05479	100.0
92.17316	2.5
93.07046	78.8
95.01293	2.5
95.04971	89.6
95.08609	61.8
97.02917	8.0
97.06506	8.3
97.10176	17.9
98.21530	6.3
103.05502	3.8
105.04524	4.9
105.07029	63.2
107.04976	22.3
107.08584	43.3
108.62076	2.3
109.02899	4.8
109.06515	11.2
109.10155	21.9
111.04443	13.6
111.08086	4.6
115.03941	2.7
115.05429	11.7
116.06226	2.6
116.36311	3.0
117.07014	31.3
119.04963	8.3
119.08585	37.3
121.02867	10.7
121.06512	23.1
121.10146	25.4
123.04407	12.1
123.08068	7.6
123.11755	7.2
125.09607	16.0
127.44828	2.6
128.06219	5.6
129.06999	25.6
130.07808	4.5
131.04938	12.9
131.08568	36.0
133.06503	14.3
133.08607	4.1
133.10127	28.0
135.04419	3.8
135.08064	10.7
135.11665	16.7
137.05997	6.1
137.09634	6.1
137.13141	3.1
139.03897	4.7
141.07014	7.5
142.07767	6.0
143.08565	18.6
145.06471	23.2
145.10124	30.3
147.04480	12.5
147.08046	12.5
147.11668	13.6
149.05983	10.8
149.09561	13.4
149.13243	5.9
153.06995	2.7
154.07753	4.3
155.08585	12.0
157.06482	6.4
157.10156	15.0
159.08090	10.0
159.11743	15.3
161.06006	18.5
161.09627	13.5
161.13243	6.2
163.07544	3.5
163.11182	16.3
165.07050	3.9
165.12772	2.4
167.08559	7.1
169.10162	12.7
171.08078	9.8
171.11703	10.7
173.06004	13.2
173.09689	7.7
173.13239	7.3
174.06787	10.9
175.07538	8.3
175.11189	10.6
177.05492	3.4
177.12773	4.6
179.08591	3.1
181.06575	3.3
181.10162	7.1
182.41557	2.7
183.08052	7.8
183.11710	10.9
185.05934	3.7
185.09628	8.5
185.13242	6.9
187.07581	8.6
187.11150	5.9
189.05476	12.6
189.11234	8.4
189.12766	7.0
191.08499	3.5
193.06584	2.6
193.10291	4.2
193.12152	6.1
195.08063	5.0
195.11726	4.3
197.09648	4.6
197.13232	4.6
199.11241	3.8
199.14729	3.0
203.10684	3.9
205.12292	8.4
207.11766	5.7
207.13676	3.7
209.09715	2.7
209.13211	5.8
211.11319	6.1
211.14874	3.2
213.12782	4.4
221.09763	4.2
221.15283	2.9
223.11261	4.8
223.13104	4.9
237.12767	4.5
239.14667	2.9
241.09766	2.3
243.13634	3.2
255.13776	6.9
257.15512	4.6
257.19037	3.2
259.20572	9.3
261.22040	6.7
267.15765	6.6
271.13403	3.3
273.14862	34.7
277.21530	3.3
283.13358	3.9
285.14859	7.2
289.14230	4.3
291.16122	3.5
301.14383	40.2
301.17764	4.4
303.15863	18.6
319.15430	18.1
333.24197	8.0
335.25769	31.3
337.21722	2.9
342.22995	2.5
347.18619	4.3
351.23099	4.5
357.17227	3.5
363.18079	3.0
375.17807	6.2
377.19855	6.2
393.19177	11.3
424.08884	3.1
525.34003	2.9
530.39343	5.9
543.34479	5.4
561.35492	6.1
562.30682	2.7
579.36267	5.3
581.38635	4.9
602.34161	3.3
605.37836	3.3
617.38373	7.1
623.39844	15.4
635.39532	42.4
653.40540	26.4
671.41510	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.05503	3.3
56.05035	1.0
57.06451	1.0
59.54883	0.7
67.05497	2.4
69.03426	1.3
69.34464	0.7
70.02280	3.8
70.06591	6.2
72.08160	3.9
74.02428	1.1
74.61826	0.8
79.05490	2.5
81.03407	2.6
81.07064	4.7
82.06538	1.0
83.04950	0.9
83.08626	1.5
84.04486	1.4
84.08130	3.6
85.02906	1.2
86.09706	4.4
91.05457	3.4
93.07050	1.1
94.06576	2.6
95.04959	0.9
95.08601	2.2
97.06524	1.3
105.07054	2.4
107.08620	1.6
108.04554	0.7
108.08143	1.4
109.10143	1.3
110.07177	1.3
110.09675	1.3
118.06574	1.1
119.04929	3.6
119.08549	1.0
120.04469	2.2
120.08123	2.2
122.09675	2.8
123.04440	3.9
124.11231	0.8
127.03965	1.8
129.10164	0.8
130.06538	10.4
132.04454	2.5
132.08102	1.6
133.10165	1.6
136.07576	3.6
137.05920	1.2
139.03905	5.6
143.07297	1.0
144.08116	0.9
145.02844	1.0
145.07632	1.2
146.06024	2.1
147.04414	3.7
147.11497	0.8
151.03917	3.6
151.07597	1.1
154.06601	1.5
154.08685	1.5
156.08090	1.3
157.07605	1.9
158.06013	4.4
158.09509	0.9
159.09210	4.8
160.07571	2.5
163.03906	1.2
164.07100	3.1
165.05472	1.2
167.07185	2.1
168.08102	5.4
169.07611	63.1
170.08267	2.8
171.09120	1.3
172.07602	1.9
175.03902	2.6
175.08673	3.3
177.05505	1.4
179.07018	1.1
180.06633	1.7
180.08072	5.4
181.08817	1.7
182.08299	4.2
183.09135	4.3
184.07521	1.3
185.07083	3.6
186.12753	1.6
188.07074	0.9
192.07924	1.1
193.08904	3.1
194.09634	1.7
195.09166	3.1
196.09938	2.2
197.10744	1.7
200.14622	0.9
200.42566	0.9
203.08038	0.9
207.06532	3.3
207.09158	1.0
208.09946	1.3
209.07101	2.0
209.10788	3.4
210.12772	3.4
211.08629	2.4
213.06572	5.9
214.12251	1.8
220.11221	1.0
221.07039	0.9
222.12743	6.6
227.08034	1.2
231.07666	2.1
237.13750	3.9
239.15445	17.1
255.14899	1.7
265.09720	3.3
265.13348	8.4
283.14395	13.9
285.08676	1.0
290.07925	0.9
295.10693	1.2
299.16455	2.2
301.15463	100.0
302.15747	2.6
303.09079	1.2
305.09106	1.4
307.10779	11.5
347.62854	1.0
351.09720	2.3
354.81403	0.8
369.10693	2.6
459.15576	6.2
521.15558	8.9
653.28827	7.1
671.29187	5.8
671.40125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.05503	3.3
56.05035	1.0
57.06451	1.0
59.54883	0.7
67.05497	2.4
69.03426	1.3
69.34464	0.7
70.02280	3.8
70.06591	6.2
72.08160	3.9
74.02428	1.1
74.61826	0.8
79.05490	2.5
81.03407	2.6
81.07064	4.7
82.06538	1.0
83.04950	0.9
83.08626	1.5
84.04486	1.4
84.08130	3.6
85.02906	1.2
86.09706	4.4
91.05457	3.4
93.07050	1.1
94.06576	2.6
95.04959	0.9
95.08601	2.2
97.06524	1.3
105.07054	2.4
107.08620	1.6
108.04554	0.7
108.08143	1.4
109.10143	1.3
110.07177	1.3
110.09675	1.3
118.06574	1.1
119.04929	3.6
119.08549	1.0
120.04469	2.2
120.08123	2.2
122.09675	2.8
123.04440	3.9
124.11231	0.8
127.03965	1.8
129.10164	0.8
130.06538	10.4
132.04454	2.5
132.08102	1.6
133.10165	1.6
136.07576	3.6
137.05920	1.2
139.03905	5.6
143.07297	1.0
144.08116	0.9
145.02844	1.0
145.07632	1.2
146.06024	2.1
147.04414	3.7
147.11497	0.8
151.03917	3.6
151.07597	1.1
154.06601	1.5
154.08685	1.5
156.08090	1.3
157.07605	1.9
158.06013	4.4
158.09509	0.9
159.09210	4.8
160.07571	2.5
163.03906	1.2
164.07100	3.1
165.05472	1.2
167.07185	2.1
168.08102	5.4
169.07611	63.1
170.08267	2.8
171.09120	1.3
172.07602	1.9
175.03902	2.6
175.08673	3.3
177.05505	1.4
179.07018	1.1
180.06633	1.7
180.08072	5.4
181.08817	1.7
182.08299	4.2
183.09135	4.3
184.07521	1.3
185.07083	3.6
186.12753	1.6
188.07074	0.9
192.07924	1.1
193.08904	3.1
194.09634	1.7
195.09166	3.1
196.09938	2.2
197.10744	1.7
200.14622	0.9
200.42566	0.9
203.08038	0.9
207.06532	3.3
207.09158	1.0
208.09946	1.3
209.07101	2.0
209.10788	3.4
210.12772	3.4
211.08629	2.4
213.06572	5.9
214.12251	1.8
220.11221	1.0
221.07039	0.9
222.12743	6.6
227.08034	1.2
231.07666	2.1
237.13750	3.9
239.15445	17.1
255.14899	1.7
265.09720	3.3
265.13348	8.4
283.14395	13.9
285.08676	1.0
290.07925	0.9
295.10693	1.2
299.16455	2.2
301.15463	100.0
302.15747	2.6
303.09079	1.2
305.09106	1.4
307.10779	11.5
347.62854	1.0
351.09720	2.3
354.81403	0.8
369.10693	2.6
459.15576	6.2
521.15558	8.9
653.28827	7.1
671.29187	5.8
671.40125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01883	4.3
55.05513	22.1
57.03430	7.5
57.07059	3.2
65.03938	3.4
67.05508	71.4
69.03429	8.2
69.07069	12.2
69.60195	10.3
71.04990	17.0
75.75555	1.7
78.99791	1.5
79.05498	64.6
81.03421	34.4
81.07060	100.0
83.04982	16.6
83.08618	11.1
85.02898	2.8
85.06544	7.5
91.05486	55.1
91.89919	1.6
93.07046	55.8
95.04986	14.2
95.08616	23.0
97.02889	7.5
97.06536	5.6
97.10184	4.2
99.04465	4.2
103.05477	1.9
105.04532	3.7
105.06399	2.8
105.07040	34.0
107.04945	6.3
107.08597	22.5
109.02867	4.8
109.06533	7.0
109.10159	7.6
111.04430	3.2
111.08062	2.3
115.05464	2.2
117.07019	9.9
119.08584	21.7
121.06507	4.2
121.10151	8.3
123.08076	5.7
123.11709	9.5
123.38573	1.6
125.09689	1.7
127.03912	4.0
128.06226	3.2
129.05495	4.3
129.07004	11.6
131.08591	8.3
133.10133	14.7
135.11705	5.2
143.08615	8.1
145.10129	7.2
147.08011	2.0
147.11682	23.6
149.09633	3.9
149.13254	6.6
151.11177	3.4
159.11708	5.6
161.13272	7.4
171.11688	15.8
173.04526	12.0
177.12712	1.8
183.13812	2.2
187.13416	2.4
189.12738	8.0
194.23367	1.8
195.13866	3.2
207.13823	17.9
213.14897	2.3
225.14836	3.8
243.15965	2.5
281.17499	41.1
317.13849	4.1
339.17963	4.3
413.21783	3.4
445.24203	5.3
449.28995	65.7
463.30759	5.9
466.02243	1.9
468.14502	2.0
475.30609	86.3
498.14883	1.9
507.33115	8.8
557.15961	2.0
616.17761	5.6
619.34845	9.2
651.37494	16.3
669.29065	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	668.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
54.19744	1.3
55.05507	9.6
57.03444	15.9
57.07061	2.1
59.04987	3.4
61.02937	2.5
67.05508	77.0
69.03431	3.7
69.07071	2.3
70.06578	2.6
71.04975	2.7
71.42565	1.8
71.49926	1.8
79.05487	10.6
81.03420	60.0
81.07060	23.1
83.04967	4.9
83.08620	16.5
84.08145	1.6
85.02913	3.4
85.06555	4.4
86.09694	3.1
91.05469	18.5
93.07024	11.1
95.04969	15.0
95.08615	8.5
97.02892	2.6
97.06554	1.6
97.10139	4.1
105.07042	10.4
107.04970	4.6
107.08598	7.5
109.02882	1.7
109.06520	2.2
109.10158	71.7
111.08099	7.4
111.09792	1.5
117.07089	2.1
117.12563	1.5
119.04914	2.2
119.08585	13.9
121.06523	3.8
121.10138	5.4
123.04380	1.9
125.09658	2.7
127.04060	1.9
129.07018	5.0
131.08540	7.5
133.10129	6.3
135.11745	2.5
137.06003	2.0
137.09592	4.4
145.10194	1.9
147.07950	2.4
147.11696	5.4
149.09602	4.9
155.10667	6.1
157.10069	8.3
165.12767	2.1
173.11748	21.0
175.11194	6.3
184.07382	1.6
193.12207	16.9
211.13278	2.1
227.12766	2.2
229.14354	100.0
252.21019	1.7
267.15924	83.6
329.21100	3.7
347.22342	1.8
403.24823	8.4
421.25867	97.1
422.26166	4.2
439.26807	3.7
575.50531	1.6
615.35071	1.5
668.33148	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	669.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14217	0.4
55.01854	0.8
56.05027	0.7
57.03419	1.9
66.92624	0.5
69.03413	1.6
69.85123	2.2
70.06590	2.3
72.08136	0.9
74.00665	1.0
76.04008	2.3
79.05484	0.6
81.03391	1.8
81.07056	0.9
83.04960	0.7
83.06087	0.6
84.04504	5.4
84.08113	1.5
85.02900	4.4
85.04018	2.2
86.09689	1.2
87.02695	0.6
91.05485	1.0
91.27031	0.6
92.01706	1.0
93.07041	0.6
97.01066	0.8
97.02885	2.0
98.20878	0.7
99.02644	1.9
99.05564	1.6
103.05464	0.6
105.03380	1.9
106.06530	2.0
109.02842	1.0
109.10156	0.8
110.07185	0.7
113.03454	0.6
115.02112	1.1
116.72188	0.5
117.05760	2.7
118.06514	1.4
120.08083	0.9
123.02646	0.6
127.03933	1.1
129.06709	0.7
130.05005	5.2
130.06505	4.0
131.04495	1.4
131.07320	0.5
136.07550	0.8
137.05995	0.6
140.20897	0.5
143.07373	0.8
144.08070	0.6
145.06084	1.5
146.09708	0.5
147.04283	0.9
151.02141	0.6
153.06584	0.5
153.96625	0.5
154.06477	2.2
156.08076	9.2
158.09608	1.1
162.03738	0.7
167.07303	12.8
168.08078	1.9
170.06004	5.3
170.09663	5.3
171.06738	1.1
171.10426	19.3
172.11177	0.6
176.05373	0.6
177.03278	7.4
180.08125	2.4
181.06108	1.4
181.08870	4.7
182.09654	50.9
183.10387	2.4
184.07579	8.6
184.11177	3.1
185.03775	4.9
186.03712	1.7
186.09067	0.9
187.04446	0.9
188.05211	0.8
188.10683	0.6
195.10347	0.7
196.11240	2.7
198.09113	5.1
199.04533	1.6
199.09920	57.0
200.10701	16.6
202.12263	0.9
204.04573	0.7
204.08440	3.7
207.10498	0.5
210.03737	0.8
210.09137	1.0
211.04517	2.9
212.05222	0.5
212.10670	5.2
214.06847	14.6
216.08411	6.1
219.67839	0.5
224.10686	1.2
225.06122	0.9
228.08517	0.7
231.04343	14.7
232.07903	100.0
233.08194	1.4
234.09427	1.1
238.06732	0.7
239.04051	1.6
240.08298	4.0
241.10956	1.3
242.11758	1.6
248.10910	0.9
255.07935	0.8
258.09491	5.6
264.62112	0.5
268.07758	1.1
274.08875	2.6
275.12085	4.5
283.10504	0.6
285.10522	2.1
286.06067	0.8
286.08957	10.9
288.06531	1.2
290.14056	0.5
303.11618	5.8
306.07556	0.7
307.14435	1.4
308.15161	1.3
341.13171	3.2
345.12344	0.5
360.13696	2.0
369.12750	1.2
378.14807	34.8
379.15311	1.2
394.13065	1.7
402.14877	0.9
414.14661	0.9
420.15329	2.6
432.15768	3.9
444.15613	0.5
471.54691	0.5
483.13681	0.5
486.17126	0.8
489.17883	0.8
504.17801	1.4
507.19073	16.5
529.40540	0.6
540.20087	1.1
594.21509	0.6
602.88824	0.7
614.83862	0.6
669.23950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4336
Annotation	PAz-PC
Peak:m/z	Relative Intensity
53.73761	0.1
54.76062	0.2
55.05509	0.3
56.05050	0.7
57.07062	0.2
58.06606	0.3
60.08164	5.9
67.05494	0.2
69.18230	0.2
70.06606	0.2
71.07368	3.1
81.07065	0.3
83.04973	0.2
83.08607	0.3
86.09707	29.6
89.06013	0.2
95.08600	0.3
96.80463	0.2
98.98473	3.1
104.10744	2.5
105.07024	0.2
119.71400	0.2
125.00005	20.0
133.08638	0.2
184.07341	100.0
185.07709	0.6
192.42104	0.1
345.88980	0.2
496.33585	0.3
666.43256	6.2
667.43414	0.4
693.40283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	3.6
71.01322	4.1
71.49419	3.7
76.98080	2.8
83.04965	4.1
83.44434	2.3
84.08135	4.2
85.02897	4.2
97.02878	13.8
108.00388	2.2
116.07107	3.3
136.06175	14.8
137.06555	2.9
168.20387	2.4
187.05775	14.1
199.02078	8.0
202.01163	2.8
250.32907	2.6
290.32373	2.6
292.89066	2.6
327.06842	29.2
345.07571	12.8
363.08981	100.0
425.10440	2.6
551.15369	9.6
622.05042	2.6
633.59039	2.8
667.16870	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	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01876	0.4
55.05507	1.2
57.03432	1.5
58.75671	0.4
61.02926	3.6
67.05511	5.4
69.03435	2.3
69.07071	1.6
71.05015	0.5
71.49158	0.3
71.49523	0.5
72.42153	0.3
73.02915	2.2
79.05488	3.1
81.03411	1.6
81.07062	6.8
83.04964	0.5
83.08626	1.5
85.02903	3.0
87.41897	0.4
91.03963	1.9
91.05476	2.2
93.07050	5.5
95.04967	0.5
95.08585	1.9
97.02897	2.5
97.06541	1.4
97.10169	0.4
99.04485	0.6
101.02379	1.6
105.07045	1.5
107.04950	0.5
107.08606	2.6
109.02868	0.9
109.10168	1.5
111.08081	1.0
117.07040	1.0
119.08588	0.8
121.10148	1.9
127.03916	1.0
129.06956	0.4
131.08568	1.3
133.10161	1.2
135.08122	0.4
135.11726	0.8
141.81540	0.4
145.10046	0.4
149.09633	0.5
149.13275	2.8
151.07478	0.4
159.11725	1.5
172.63702	0.4
177.12761	0.4
195.13853	0.6
213.90401	0.4
235.13048	1.8
243.08408	1.9
266.16354	0.3
269.17532	0.6
275.20132	0.9
291.15863	0.7
397.26935	0.4
453.20984	12.2
454.21027	0.5
647.37115	0.6
665.35089	100.0
666.35529	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68969	0.5
53.03929	0.8
55.01866	1.3
55.05506	1.8
57.03429	1.6
60.69326	0.4
61.02925	4.2
67.05509	6.5
69.03432	2.8
69.07056	1.9
69.19806	0.6
69.20128	5.1
71.04976	0.9
72.06532	0.5
73.02919	3.1
79.05501	4.2
79.79223	0.4
81.03418	2.1
81.07063	8.5
83.04980	1.1
83.08622	1.8
85.02919	3.9
85.06545	0.6
91.03969	2.2
91.05496	3.4
93.07054	6.7
95.04967	1.8
95.08604	3.1
97.02892	3.8
97.06556	0.8
98.86761	0.5
99.04446	0.9
101.02379	1.7
105.07025	2.5
107.04957	1.2
107.08583	3.2
109.02879	0.9
109.06503	1.1
109.10182	2.2
111.08110	0.8
117.07038	1.3
119.08601	2.1
121.10140	2.2
125.09661	0.5
127.03934	1.9
129.07008	0.6
131.08589	1.4
133.10135	1.9
135.08046	0.7
135.11691	1.2
137.09647	0.6
143.08528	0.8
145.10147	1.3
145.95367	0.5
147.08041	0.5
149.13246	2.2
153.00922	0.4
155.10699	0.5
159.11737	1.6
163.11197	0.8
195.13899	1.0
202.28195	0.4
223.13289	0.9
235.13141	1.5
243.08411	2.1
253.96138	0.5
275.20102	0.9
291.15482	0.5
331.97791	0.5
344.15417	0.5
370.98746	0.5
373.18707	0.6
392.30325	0.5
444.17776	0.5
453.21002	14.1
503.30554	1.4
621.75592	0.5
657.54071	0.5
665.35071	100.0
666.35217	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
57.07078	50.3
61.92194	0.7
63.22801	0.5
70.89850	1.0
79.05470	0.9
86.32516	0.5
87.04440	0.8
91.05486	7.8
95.04950	0.9
105.07005	2.4
119.08528	1.7
119.68124	0.6
122.28819	0.6
131.08531	0.7
132.09280	1.0
147.11694	6.7
152.06180	1.6
153.06955	4.5
171.07983	0.9
208.71886	0.6
228.09209	1.3
229.10161	1.4
233.03616	7.1
251.04671	18.2
307.10901	2.2
327.07797	100.0
328.08170	2.3
345.57440	0.5
383.14056	69.4
384.14331	1.6
409.94479	0.5
439.20331	61.9
440.20724	2.1
495.26584	71.9
496.26779	2.5
551.32849	89.4
552.33124	3.1
607.39093	54.2
608.39752	1.5
663.45392	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	664.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.3
57.03434	11.3
57.07079	28.8
59.04994	3.9
61.02909	3.1
67.05505	69.4
69.03418	1.9
69.07069	6.0
71.04977	3.3
71.08636	18.7
73.02915	1.4
74.39124	0.8
79.05479	2.5
81.07054	16.5
83.08623	12.1
85.02901	3.8
85.06545	2.4
85.10191	9.4
86.42711	0.9
87.04468	1.1
91.03951	2.0
91.05482	4.1
93.07035	4.2
94.84819	0.9
95.08604	16.6
97.02871	2.8
97.10166	3.3
98.21529	2.5
103.07600	1.4
107.08571	2.3
109.10154	65.4
110.10467	1.9
111.08102	1.9
119.08577	5.1
122.36629	0.9
123.11721	1.9
133.10135	1.0
137.09607	3.4
137.13258	1.9
145.05038	1.1
155.10683	6.6
173.11742	16.6
184.07335	4.7
229.14342	100.0
230.14568	1.0
239.23647	1.8
257.24899	1.4
313.27356	89.4
314.27795	1.7
320.19220	0.9
346.30664	0.9
377.94034	0.9
445.77872	1.1
467.37335	63.9
468.37775	1.2
505.41177	1.0
656.96436	1.0
664.48273	1.7
688.11420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
55.01870	1.5
55.05513	16.4
56.17697	0.5
57.03441	2.0
57.07080	4.3
59.04987	1.1
65.03940	0.9
66.02396	0.5
67.05507	23.0
69.07069	20.4
69.43773	4.1
71.04985	2.9
71.08620	2.4
73.06521	0.7
79.05495	10.3
81.07061	28.3
83.04978	2.3
83.08621	16.4
85.06571	1.4
85.10183	0.8
86.09714	1.6
87.04471	8.8
89.06049	1.6
90.01891	0.6
91.05484	5.9
93.07046	14.0
95.04967	0.7
95.08607	16.4
95.09182	1.2
97.06543	4.4
97.10185	5.1
98.98481	1.8
99.08103	0.8
101.06042	0.6
105.07028	3.7
107.08589	8.6
109.10154	7.0
111.08091	4.0
119.08595	2.2
121.10133	4.7
123.11729	2.8
124.99976	1.4
125.09636	2.1
131.07059	0.7
133.10152	2.4
134.52681	0.6
135.11671	1.4
137.13312	0.6
147.11673	1.4
149.13266	9.6
155.01062	1.5
161.13298	1.0
167.14314	6.1
170.27122	0.6
184.07352	5.6
185.15385	2.5
222.20251	0.7
228.19537	3.8
241.15578	0.9
241.17989	16.0
259.19205	1.6
261.28244	0.7
263.23721	2.3
284.50244	0.6
306.27826	1.1
337.27390	3.6
429.37027	0.7
521.42065	100.0
522.42310	3.1
560.01117	0.6
662.44080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76822	0.7
53.03939	1.5
55.05504	1.9
57.03425	2.1
57.07066	0.9
61.02926	4.0
67.05499	6.5
69.03422	3.6
69.07056	1.7
71.04974	0.7
73.02924	2.7
79.05490	5.9
81.03423	3.6
81.07045	3.6
82.40488	0.8
83.04961	1.5
83.08654	1.1
85.02891	4.9
91.03947	3.8
91.05485	3.8
93.07037	5.2
95.04967	2.1
95.08611	3.1
97.02374	0.8
97.02894	4.0
97.10141	0.7
97.64841	0.7
98.20810	1.6
99.04459	1.3
100.28937	0.6
101.02381	1.4
104.73106	0.7
105.07052	2.8
105.92967	0.8
107.04951	1.2
107.08603	3.3
109.02869	1.0
109.10164	2.4
111.04441	0.8
117.07033	1.3
119.08592	1.9
120.21191	0.7
121.10126	1.8
123.08065	0.7
127.03938	2.5
129.06963	1.1
131.08606	1.1
133.10133	1.5
135.08069	1.3
135.11725	3.4
147.11685	1.4
159.11632	0.8
161.13289	0.8
163.11198	0.8
171.11778	1.5
183.62198	0.7
193.02919	0.8
221.11502	0.9
243.08437	2.0
273.18665	0.8
281.17551	0.9
291.19757	1.2
387.86816	0.8
439.19305	6.1
446.03415	0.9
465.20865	5.9
645.35901	0.9
663.33447	100.0
664.34167	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	661.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36818	0.4
54.24486	0.4
60.29493	0.5
67.05499	1.7
67.71896	0.4
70.82537	0.5
70.82878	0.8
77.04877	0.4
79.05488	1.2
79.06922	0.5
81.03442	0.5
81.07058	1.3
83.08604	0.5
86.09688	0.5
91.05499	1.2
93.07056	0.6
98.21487	0.5
100.03950	0.5
107.08618	0.6
109.10212	0.4
110.33809	0.4
119.08579	0.6
135.11674	0.8
136.12076	0.5
141.57747	0.5
145.10141	0.6
163.11253	0.9
184.07306	0.9
227.12920	0.6
243.08469	0.9
255.16061	0.8
256.16284	0.7
369.15393	0.6
381.09100	0.6
397.23410	0.5
413.23117	0.5
443.23880	3.0
455.18628	0.4
464.27301	1.7
499.26627	3.8
633.32355	1.7
661.31964	100.0
662.20300	0.6
662.31934	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	662.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01871	2.9
55.05511	15.3
57.03433	19.7
60.08154	2.0
61.02919	5.1
65.03947	1.6
67.05505	49.7
69.03417	3.3
69.07066	14.8
69.74143	6.4
69.74546	3.1
70.06598	2.7
71.01358	4.7
71.04984	7.6
79.05493	47.3
81.03419	48.9
81.07058	30.8
83.04993	12.9
83.08624	15.5
84.08114	1.7
85.02906	18.6
85.06540	5.2
86.09703	10.0
91.04909	2.3
91.05485	40.9
93.06484	3.4
93.07047	48.4
95.04967	21.2
95.08607	13.1
97.02895	5.2
97.06544	11.2
97.10165	9.8
99.04463	2.2
99.08078	2.4
105.07038	19.7
107.04958	7.5
107.08593	27.7
109.06532	2.9
109.10162	9.2
109.85305	1.6
110.07178	2.0
111.04487	3.6
111.08102	8.1
113.06048	1.9
113.48103	1.5
117.07037	6.4
119.08602	17.4
121.06509	3.8
121.10155	12.8
123.11682	1.8
125.00037	6.2
125.09632	3.8
129.07028	7.6
131.08566	10.0
133.06532	3.4
133.10141	26.2
135.10698	3.6
135.11691	43.0
137.09651	3.0
143.08673	2.6
145.10095	7.9
147.04320	1.9
147.08063	2.0
147.11700	8.9
149.09619	4.5
151.11211	3.4
153.12762	1.6
157.10146	8.0
161.09682	5.1
163.11197	7.2
165.12773	2.7
165.31306	1.6
175.11163	8.9
181.12143	7.8
184.07349	20.4
193.12236	29.5
211.13312	37.2
249.14799	1.8
253.14333	1.9
255.15942	83.6
267.15881	21.1
269.17496	5.6
271.15451	2.7
285.17029	20.2
297.68979	1.6
401.91431	1.9
421.25754	4.1
429.26443	1.8
447.21140	2.1
447.27451	53.0
465.28516	100.0
466.28964	2.4
568.18060	1.6
571.06366	1.8
609.31042	2.2
625.31421	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	661.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69291	0.7
64.95849	0.5
69.46408	4.5
71.18703	0.6
72.42912	0.6
77.53945	0.6
85.42563	0.5
89.05956	0.7
98.73400	0.7
155.03796	0.7
170.78470	0.6
183.20480	0.7
253.22713	0.6
338.16394	0.7
362.16669	0.8
388.17065	0.8
389.17502	1.2
390.18967	0.8
400.17087	0.8
401.17706	4.3
402.18289	1.8
403.19312	4.1
404.20132	0.8
405.20703	1.9
413.17740	0.9
414.18588	0.8
415.14493	0.7
415.19550	6.5
416.20160	5.8
417.21384	3.2
418.21286	1.7
419.22256	2.7
429.16745	3.8
429.20905	4.6
430.22217	6.2
431.17633	6.3
431.23059	2.2
432.18768	1.3
433.23987	5.1
434.24463	2.4
443.18640	2.5
443.23474	1.0
444.18396	8.0
445.19080	10.0
445.24738	3.2
446.20483	4.8
447.21811	1.2
449.23117	0.9
457.20074	2.9
458.20834	2.4
459.21649	71.6
460.22394	19.4
461.23431	9.4
469.23404	0.8
471.21921	0.9
472.22440	2.9
473.23422	69.2
474.24136	4.5
487.25000	32.8
488.25763	6.1
492.25339	3.6
499.24936	1.3
501.22998	0.8
503.24554	3.2
505.22318	6.6
515.24438	40.5
516.25031	2.2
519.23260	4.2
520.24786	0.8
543.24011	2.6
547.27094	13.8
548.27264	0.8
575.26526	83.9
576.26428	3.8
601.28192	8.0
661.30219	100.0
662.30573	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	660.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.05033	0.8
57.07077	39.9
59.05002	16.2
60.08156	2.6
67.05492	1.1
69.07058	3.2
69.27864	2.3
69.28287	3.6
71.08633	73.9
73.02919	1.3
73.06561	4.7
78.28994	0.7
79.05511	0.9
80.04642	0.6
81.07045	1.3
83.08625	0.8
85.09658	1.6
85.10188	43.6
86.09709	9.0
87.04471	14.9
89.06034	100.0
91.05490	1.3
93.07037	1.3
95.08601	0.7
97.06524	0.7
97.10151	0.9
98.98496	1.5
102.03796	0.8
103.07578	7.3
105.07038	1.2
107.07087	1.4
107.08600	0.6
110.19009	0.8
117.09136	3.9
125.00006	6.5
127.14837	4.6
130.08627	0.8
131.07036	5.5
133.08611	72.9
157.93813	0.7
161.11716	0.9
175.09653	4.9
177.11243	29.0
184.07353	30.3
185.18991	5.7
217.22987	0.6
219.12280	1.7
221.13806	5.5
226.85809	0.6
229.21655	4.3
233.41652	0.7
265.16528	1.7
283.17398	1.5
309.19110	1.4
350.62418	0.6
353.21799	1.1
371.22629	1.0
415.25491	1.3
459.28104	6.7
468.25464	0.6
499.31238	1.4
503.30646	0.8
536.68481	0.7
605.86707	0.7
643.46564	1.7
660.48975	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	661.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03943	3.5
54.64268	1.7
55.01870	4.3
55.05499	2.4
57.07061	1.7
65.03933	2.3
67.05489	6.5
67.49393	1.4
69.03421	1.9
69.07051	6.3
70.06592	7.8
72.08156	2.1
79.05482	5.1
81.03410	8.6
81.07072	12.0
84.08174	2.5
84.86678	1.4
85.02898	1.5
86.09704	10.1
90.07810	1.4
91.05495	11.1
93.07043	4.9
95.04970	7.3
95.08579	3.6
102.05485	1.7
103.05486	2.5
105.03396	2.5
105.07019	4.4
107.04955	4.7
107.08608	1.8
109.02893	8.6
109.06512	1.8
109.10146	3.4
111.04448	3.2
115.05460	2.6
117.06966	1.7
119.04946	12.9
119.08578	2.7
119.25425	1.4
120.08051	2.6
121.02905	1.9
121.06516	3.1
121.10172	2.0
123.04428	100.0
123.08028	5.8
125.00003	3.8
127.03909	2.3
131.08536	1.9
133.10118	3.6
135.04431	3.4
136.07619	2.0
137.05956	4.1
139.03903	78.9
143.04950	3.1
147.04416	47.7
147.08066	1.9
149.05992	32.2
149.09612	6.4
151.03902	76.3
153.05444	1.8
161.05969	11.2
163.03934	8.6
164.07175	2.0
165.05478	41.8
169.04945	6.3
177.05476	13.2
177.09123	3.1
179.07025	3.7
181.04968	5.3
184.07350	21.1
185.07608	1.9
189.05449	3.1
201.09135	4.1
207.06479	11.6
207.10139	3.8
215.06950	1.8
219.10168	99.1
231.10181	3.9
249.07518	2.0
249.11273	3.6
262.50360	1.5
267.15973	2.4
273.07492	2.4
291.08655	25.4
303.08615	17.4
353.13950	4.0
357.13284	4.8
371.14914	79.1
385.92340	1.7
398.52734	1.5
509.18188	2.4
569.56873	1.8
643.27832	1.6
661.33435	4.8
694.16467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.20744	0.3
55.01868	0.8
55.05515	6.8
57.03432	1.0
57.07085	2.2
58.06609	0.5
59.04993	0.6
62.06089	0.6
62.59071	0.4
65.03938	0.9
67.05504	38.4
69.03425	0.6
69.07070	9.8
69.50953	1.5
69.51359	0.8
71.04991	2.4
71.08621	1.1
79.05489	10.7
79.05897	0.4
81.07054	50.4
83.04958	1.0
83.08618	4.6
85.06078	0.6
85.06544	5.8
85.10159	0.7
86.09693	1.2
89.06032	1.2
91.05479	7.1
91.09226	0.4
93.07038	8.6
95.04985	0.6
95.08605	44.0
97.06530	2.7
97.10123	2.3
98.20755	0.6
98.98450	0.7
99.08089	1.3
105.04513	0.4
105.07030	5.4
107.08594	3.9
109.06547	0.5
109.10160	5.3
111.08099	0.9
119.08588	4.7
121.10142	4.0
123.08048	0.7
123.11690	4.0
125.09634	0.4
128.08952	0.4
131.08611	0.4
133.08589	0.7
133.10156	2.2
135.11685	1.7
137.13257	1.4
145.10126	0.5
147.11673	5.0
149.13203	0.8
151.14740	0.5
161.13246	1.0
163.14871	0.6
165.12749	2.7
173.09550	0.5
175.14854	0.6
177.11247	0.5
183.13821	1.3
184.07349	2.6
201.14957	0.8
208.16963	6.7
208.18797	0.5
213.25529	0.4
221.54488	0.5
226.18033	6.9
245.22694	0.5
257.17505	2.0
263.23721	1.7
306.14661	2.3
306.28061	1.0
324.15887	1.1
335.25952	0.4
337.27502	3.1
362.17203	1.9
380.18262	4.0
519.40442	100.0
520.40662	3.0
642.41309	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	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
54.04262	0.5
54.56395	0.5
55.01868	1.6
55.05271	0.7
55.05517	7.6
55.85777	0.5
57.03443	8.2
57.07061	1.5
61.02913	2.0
65.03937	1.1
67.05508	35.5
69.03414	0.9
69.06729	1.0
69.07069	12.1
70.73923	1.8
71.01368	0.6
71.04992	1.4
71.08617	1.2
79.05496	21.4
80.87016	0.7
81.03407	2.0
81.07060	44.5
83.04543	0.6
83.04984	3.4
83.08629	8.2
85.02897	1.8
85.06541	2.7
91.03957	0.7
91.05488	10.5
93.07047	34.8
95.04967	2.6
95.08614	11.8
97.02884	1.2
97.06533	6.0
97.10161	1.2
99.04435	0.9
99.08108	1.8
102.26655	0.6
103.73602	0.6
105.04544	0.7
105.07043	4.2
107.08601	19.1
109.06522	0.9
109.10154	1.8
111.08088	4.9
117.07033	4.8
119.06094	0.7
119.08550	1.4
121.10137	11.8
122.58938	0.6
123.11752	1.7
129.07031	0.7
131.08569	5.8
133.10133	4.0
135.08028	0.8
135.11734	4.8
139.11137	1.0
147.11745	0.8
149.13268	19.5
151.11073	0.7
159.11705	8.6
167.14398	0.8
177.12790	3.5
195.13820	6.9
213.14818	1.5
266.74429	0.7
269.17493	57.9
270.18030	0.7
345.99582	0.6
463.30573	100.0
464.30667	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	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36295	1.1
55.01870	1.6
55.05512	14.1
57.03431	5.7
57.07064	2.5
58.03362	1.3
59.05006	1.4
61.02926	2.4
67.05507	25.3
69.03423	1.6
69.07062	13.2
69.82404	6.1
70.06569	1.7
71.04996	3.1
71.08629	1.3
73.02899	1.5
79.05145	1.3
79.05497	15.5
81.03426	3.2
81.06591	2.3
81.07056	36.3
83.04980	2.4
83.08621	18.2
85.02895	2.6
85.06514	1.5
86.09724	2.1
87.04489	2.1
89.06046	9.1
89.65658	1.3
91.05491	12.9
91.33035	1.4
93.07045	24.2
93.74358	1.2
94.36380	1.3
95.04935	3.0
95.08616	10.5
97.06528	5.0
97.10188	8.1
98.21452	1.9
102.30609	1.3
105.07051	7.8
107.08591	14.1
109.06477	1.4
109.10127	3.0
111.08123	3.0
111.11724	1.9
117.07008	5.9
119.08613	6.1
121.06503	2.0
121.10132	8.2
123.11697	2.7
124.99977	1.5
129.07007	1.7
131.08589	7.0
133.08617	8.9
133.10164	7.8
135.11691	4.2
143.08553	1.8
145.10132	2.1
149.09584	1.7
149.13232	8.8
155.08438	1.4
157.10149	1.8
159.11707	6.6
171.17305	1.7
177.11177	3.6
177.12727	3.4
184.07309	4.9
195.13724	6.5
251.16418	1.4
269.17474	32.6
353.24716	1.8
354.14371	1.4
384.39340	1.5
445.29553	14.9
460.14484	1.3
463.30579	100.0
464.30869	2.4
470.69437	1.2
481.31195	2.0
607.34546	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	660.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.61148	1.1
55.01868	2.2
55.05515	9.5
57.03443	11.4
59.04992	1.3
61.02921	2.3
65.03930	1.7
67.05508	30.1
69.03426	2.6
69.07070	3.5
70.06584	1.2
71.05003	1.7
73.02905	1.1
79.05495	17.9
81.03419	35.2
81.07065	23.3
83.04970	7.9
83.08616	12.7
85.02913	16.7
85.06546	2.4
86.09701	5.5
91.05482	88.2
91.64234	1.1
93.07057	13.4
95.04980	17.2
95.08602	6.7
97.02884	2.6
97.06521	1.6
97.10168	2.2
98.20721	2.4
105.07039	40.5
107.04959	4.1
107.08603	7.5
109.06525	2.6
109.10171	2.7
111.04436	3.3
111.08090	6.3
113.06014	1.8
115.05459	1.7
117.07018	6.0
119.08586	17.0
121.10152	5.0
123.04436	4.8
123.08096	2.0
123.11719	1.8
125.00051	3.2
127.03909	5.0
128.04271	1.2
128.06232	2.0
129.07014	4.1
131.08591	8.6
133.06503	3.4
133.10132	100.0
134.10378	1.5
135.04437	1.8
135.11719	3.2
137.09587	1.6
142.07790	1.7
143.08537	5.9
145.10089	1.5
147.08005	2.7
147.11670	9.1
149.09636	5.1
151.03926	2.2
151.11180	5.9
157.10100	8.2
161.09621	17.7
163.03882	2.8
165.05493	1.4
165.12839	2.0
175.11163	8.6
177.05458	1.6
184.07378	15.1
193.12242	25.2
197.11731	3.4
201.05624	1.3
211.13290	28.3
219.10240	2.3
247.06099	4.5
248.06506	3.2
253.14365	56.1
267.15927	25.0
267.18646	2.0
271.05914	1.3
285.16962	45.4
355.11682	1.9
356.12097	2.0
445.25858	31.5
463.26901	87.6
464.27133	2.1
490.15417	2.0
498.31766	1.2
514.98090	1.2
553.23596	1.2
660.34674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01885	1.8
55.05521	8.3
55.26800	1.2
57.03439	8.7
57.07084	1.2
59.05006	1.5
60.08158	2.1
62.67959	1.3
65.03935	2.0
67.05510	25.7
69.03438	2.6
69.03781	1.1
69.07071	3.7
71.04994	2.7
78.52617	1.1
79.05483	13.9
81.02937	1.9
81.03423	33.2
81.07060	15.6
83.04991	7.0
83.08620	11.0
85.02918	12.1
85.06545	1.7
86.09714	8.5
91.05486	77.9
93.07048	13.2
95.04984	13.5
95.08619	4.5
97.02895	2.4
97.06554	2.1
97.10172	2.4
105.07038	33.1
107.04973	3.3
107.08599	7.9
109.06522	4.2
109.10184	2.1
111.04437	2.3
111.08073	4.6
112.16936	1.2
113.06020	1.0
115.05470	2.0
116.07154	1.1
117.07030	3.0
117.62843	1.0
119.08598	11.4
121.06487	1.3
121.10143	6.0
123.08120	1.6
123.11705	1.5
125.00002	4.3
128.06279	2.7
129.07002	4.6
131.08577	7.0
133.06522	2.2
133.10138	90.9
134.10452	1.2
135.11717	2.5
143.08571	6.8
147.08086	2.0
147.11702	7.9
149.09656	2.4
151.11185	5.0
157.10147	7.5
161.09636	12.2
165.12753	1.7
174.41402	1.1
175.11197	8.8
184.07343	25.7
193.12250	20.8
197.11775	2.3
211.13313	20.7
245.96622	1.2
253.11679	2.3
253.14365	52.6
267.15900	27.6
285.16989	31.4
445.25867	37.8
463.26898	100.0
464.27457	2.0
493.66653	1.3
507.35995	1.4
660.35181	3.3
673.65845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.9
57.03429	3.9
57.07078	100.0
58.04224	7.4
59.04718	2.0
59.05003	34.8
60.04513	1.1
62.26613	1.0
66.93219	1.1
67.05490	3.2
69.07068	3.2
71.05034	1.1
71.08633	73.5
71.14717	2.6
71.15087	1.0
72.05783	7.5
73.02917	4.6
73.05285	0.9
73.06551	10.6
79.05481	1.8
81.07051	4.4
82.07835	1.3
83.08619	3.4
85.10187	57.9
86.07302	1.9
87.04474	12.1
87.08111	3.1
88.05244	2.6
89.06033	15.0
90.01920	30.0
91.05451	1.9
93.07048	2.0
95.08582	2.3
97.10165	4.0
99.08101	1.5
99.11730	9.0
100.08868	1.3
101.06020	2.4
101.09671	1.9
103.07591	7.0
107.08575	1.7
109.10160	1.5
113.13262	3.4
115.07559	2.2
116.08364	3.2
117.09143	13.3
119.07062	0.9
119.08654	1.1
121.10223	1.3
123.08077	1.4
133.08600	8.2
147.10143	2.5
152.15619	2.8
152.29193	1.0
155.17924	5.7
161.11725	3.7
165.11269	1.6
175.09688	1.0
175.13354	1.8
177.11172	2.9
178.07098	5.1
179.12752	2.3
183.17467	3.0
193.14337	1.1
203.76517	0.9
203.95921	1.1
208.15405	1.2
212.21356	2.8
213.22141	13.2
222.09686	6.0
222.17003	2.8
223.15460	1.4
224.14879	1.8
237.16959	2.4
241.15248	1.4
252.18034	2.1
266.12469	2.0
266.19580	4.8
270.25580	1.9
271.26288	4.4
282.19122	1.9
296.20660	3.2
297.19080	1.3
312.20224	2.1
324.24042	2.5
372.18716	4.1
376.34402	2.6
420.36987	5.0
436.36490	1.6
464.38934	1.6
508.42114	9.8
568.43994	1.2
659.46161	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	659.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01860	2.6
55.05498	1.9
65.03935	1.9
65.35252	0.9
66.17845	1.1
67.05489	4.3
67.07299	1.1
67.52848	1.0
68.99781	3.1
69.03413	1.9
69.07063	3.0
70.06608	6.2
70.56798	0.9
71.49417	1.5
72.01261	1.0
72.08154	1.1
79.05504	5.3
81.03403	4.8
81.07066	11.0
83.04968	2.6
84.08147	1.6
85.02897	2.6
86.09714	3.6
91.05470	4.5
93.03392	2.0
93.07033	3.3
95.04989	2.9
95.08585	4.7
97.02892	1.3
105.07030	2.9
107.04944	3.2
107.08566	2.1
107.64196	1.2
109.02874	1.4
109.06551	1.8
109.10152	2.3
111.04435	2.3
118.06899	2.4
119.04929	3.7
119.08563	1.6
120.08139	1.8
121.02935	1.1
121.06487	2.0
121.10134	1.3
123.03574	2.0
123.04433	25.6
123.08076	5.7
125.09538	1.1
127.03918	4.2
129.06816	1.1
129.10255	1.7
131.04927	2.8
131.08560	1.8
133.06528	1.6
133.10127	2.2
135.03403	2.2
135.04405	30.0
137.02388	1.0
137.05972	8.8
137.09604	1.7
137.15083	1.1
139.03902	76.4
145.02853	1.9
145.06477	1.5
145.10147	1.4
147.04439	5.0
149.05971	4.9
150.98019	1.1
151.03886	9.0
151.07504	1.4
153.05469	3.0
159.07980	1.3
161.05956	2.7
163.03906	30.6
165.05492	15.9
165.06778	2.1
165.09145	1.8
172.89899	1.1
173.05989	3.1
175.03908	1.9
177.05438	3.4
179.03462	2.1
179.07033	1.5
181.05003	1.6
181.06494	1.7
187.03873	3.5
189.05457	3.8
189.09131	1.3
191.03438	1.5
191.06966	1.6
201.05423	2.5
201.09094	1.9
203.03319	1.6
205.04961	1.9
205.08585	2.8
206.09380	1.2
207.10159	100.0
212.01752	1.3
213.05423	2.7
217.05267	1.0
219.10161	2.8
223.12306	1.2
229.04941	1.9
229.08589	2.9
241.05017	1.7
243.06473	1.3
245.04424	1.5
247.06046	1.4
247.09729	10.0
255.06493	3.1
257.04483	1.3
259.06018	2.0
271.06067	1.3
273.25339	1.1
283.06012	8.7
299.05685	1.2
301.07004	4.9
313.10785	1.4
323.12646	1.1
327.12338	7.9
337.10638	1.6
341.14029	2.3
351.12292	11.4
355.11713	7.7
367.11642	3.5
369.13309	44.6
413.17813	1.6
489.15540	5.5
507.16586	3.5
553.19098	1.2
659.20624	1.4
659.32404	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	658.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05510	8.9
57.03437	14.4
57.07077	62.4
59.04998	2.6
61.02921	2.7
61.93995	0.9
62.25390	0.8
67.05508	34.3
69.03421	1.3
69.07062	6.5
70.75151	2.0
71.05010	1.9
71.08627	2.0
73.02927	1.2
79.05492	19.7
81.06591	1.6
81.07059	27.6
82.32598	0.8
83.04970	1.4
83.08602	4.4
85.02897	1.4
85.06533	1.1
85.10150	1.2
89.06036	12.3
91.03970	0.9
91.05479	10.3
93.06482	1.6
93.07047	22.7
95.08605	22.2
95.09184	1.5
97.02924	1.3
97.06533	1.3
97.10162	1.7
99.08092	1.1
101.06020	1.1
101.93687	0.8
103.07594	3.2
105.07037	6.6
107.08597	12.5
109.10162	17.7
117.07010	2.4
119.08588	5.4
121.10149	12.0
122.04086	0.9
123.11713	5.0
127.11195	20.2
131.08600	7.0
133.08626	3.7
133.10133	4.9
135.11696	8.3
137.13272	3.0
143.31238	0.8
145.10164	5.2
145.12244	7.2
147.11737	4.0
147.66100	0.8
149.09540	1.4
149.13257	5.6
151.11172	0.8
159.11736	2.9
161.13263	3.7
163.14838	4.1
167.59865	0.9
173.13287	3.7
175.14891	1.0
177.16428	1.3
187.14862	2.5
201.14865	100.0
202.15282	1.3
233.22765	1.2
243.21071	6.3
261.22150	21.8
317.24829	4.0
330.58841	1.1
335.25818	60.8
336.26144	1.3
387.32751	1.9
413.15466	1.0
429.34006	1.1
461.36255	31.6
479.37140	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	658.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.1
57.03433	0.8
57.07075	100.0
58.07406	1.0
59.04715	1.2
59.05000	21.5
67.05488	1.9
69.07053	2.8
70.75678	1.2
71.08632	75.7
73.06549	1.7
81.07039	1.0
83.08598	2.2
85.10181	64.0
87.04467	6.9
89.06031	64.5
90.23705	0.6
91.05489	1.2
95.08626	0.8
97.10149	2.6
99.11731	13.1
101.09643	1.3
113.13290	4.8
117.09162	5.6
131.07028	2.8
131.08548	0.9
131.10701	0.9
133.08603	48.4
147.10127	0.8
155.17957	8.6
175.09604	2.2
177.11221	19.0
213.22139	13.7
214.22470	0.7
218.05659	0.7
219.12337	0.8
221.13820	3.4
239.14764	1.1
254.24767	1.0
265.16504	1.3
271.26324	4.9
283.17380	1.7
321.58365	0.8
327.20181	1.8
353.21457	1.0
371.22821	13.2
411.25906	1.4
429.26825	2.3
459.27902	1.4
658.51086	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	658.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01869	3.0
55.05511	11.5
57.03423	2.6
57.07075	17.8
59.04989	2.6
65.03925	1.5
67.05505	35.5
69.03432	1.0
69.07071	14.3
69.14372	3.3
69.14799	4.2
71.04986	3.9
71.08633	14.9
73.02919	10.6
73.06552	1.3
79.05495	22.2
81.03404	1.2
81.07055	45.7
82.07376	1.1
83.04994	1.7
83.08619	4.3
85.06544	6.6
85.10181	10.9
86.95679	0.7
87.04481	2.4
89.06032	14.1
91.04972	1.3
91.05481	13.9
92.05841	0.9
93.07043	20.3
94.07374	0.9
95.04963	2.6
95.08607	46.5
97.06531	6.0
97.10163	2.2
99.08090	2.1
99.11710	2.1
99.37564	0.7
103.03934	2.0
103.07573	1.6
103.59086	0.8
105.07043	9.5
106.07423	1.1
107.04948	1.4
107.08580	8.8
109.06524	0.9
109.10165	4.2
111.11736	0.9
113.13291	1.1
117.07048	2.3
117.09146	1.6
119.08584	8.5
121.10146	7.9
123.08061	1.2
123.11727	2.3
125.09638	0.9
131.07060	1.1
131.08556	4.0
133.08615	8.2
133.10109	3.8
134.10355	1.0
135.11661	3.5
136.06465	0.8
137.13264	1.0
145.10152	2.0
147.11696	7.0
149.09648	0.9
149.13304	1.9
159.11751	1.3
161.13348	0.8
165.12769	2.9
173.13391	1.3
175.09660	1.2
177.11253	3.2
179.14311	0.7
201.14809	0.9
205.10660	1.2
208.16956	5.9
223.13350	0.7
226.18047	6.5
257.17490	1.6
261.22131	0.9
275.20081	2.8
276.20477	2.3
291.19678	2.6
292.19897	2.2
304.26215	1.3
306.14636	1.8
324.15704	1.0
335.25870	2.9
342.72345	0.8
342.83237	0.8
349.23636	1.6
350.24484	1.1
357.11810	0.8
362.17123	1.6
366.23584	1.7
380.18201	6.1
413.67346	0.9
415.25720	1.0
476.27869	1.1
517.38898	100.0
518.39160	2.7
640.40698	11.2
658.46515	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	658.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01871	2.8
55.05510	10.2
57.03431	5.0
57.97538	1.2
61.61790	1.4
62.22879	1.6
66.41245	1.6
67.05505	33.5
69.07069	10.9
69.25286	4.8
69.25703	8.7
70.06582	1.3
71.04980	2.5
73.02876	1.6
79.05495	43.1
81.03403	4.6
81.07054	27.2
83.04970	10.2
83.08615	5.3
85.02859	1.7
85.06540	3.0
85.30976	1.4
85.72309	1.6
91.05482	27.2
93.07041	41.3
95.04977	7.2
95.08621	12.4
97.02924	2.2
97.06544	8.0
97.10162	6.1
99.08109	1.5
99.80642	1.3
105.04476	1.6
105.07029	16.5
107.04944	2.8
107.08593	15.6
109.06522	2.2
109.10149	3.8
117.07039	5.8
119.08598	12.2
121.06518	2.3
121.10146	5.5
123.08063	2.0
129.07011	5.6
131.08595	2.8
133.10112	6.2
135.11702	17.7
143.08571	5.3
145.10126	6.7
147.11673	13.3
149.09628	2.4
153.12712	2.1
159.11632	1.6
161.13295	2.6
163.11197	3.1
171.11685	9.5
171.31499	1.4
175.11223	1.7
181.12227	5.8
189.12749	3.9
195.93475	1.7
207.13770	11.8
255.15889	28.7
267.15857	4.9
269.17453	4.1
281.17471	23.0
461.29019	100.0
462.29202	2.9
551.29443	1.6
617.17804	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	658.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.04296	0.6
54.44902	0.6
55.01889	1.4
55.05514	5.7
57.03431	4.9
61.02929	2.4
65.03932	1.5
67.05509	21.8
69.03434	1.3
69.07074	3.1
70.85027	1.4
70.85380	0.8
71.04980	2.1
72.94576	0.6
73.02902	1.5
79.05076	1.2
79.05498	17.4
79.73625	0.7
81.03418	2.0
81.07062	13.1
83.04974	2.7
83.08617	5.1
85.02907	1.7
91.05483	61.2
92.05795	0.9
93.07043	18.9
95.04955	5.5
95.08615	18.4
97.02873	3.6
97.06534	2.3
97.10156	0.9
99.04447	2.2
105.07037	26.0
107.04979	5.1
107.08605	15.1
109.02892	0.8
109.06499	1.7
109.10160	2.3
111.04435	0.9
115.05434	0.9
117.07044	6.9
119.03419	0.8
119.04939	0.6
119.07779	1.2
119.08579	9.2
121.06486	4.1
121.10145	7.7
123.08031	0.8
125.05988	1.9
125.09560	0.6
127.03863	0.7
128.06250	1.8
129.06985	1.2
130.07753	1.7
131.08618	2.2
133.06454	1.2
133.10136	79.9
133.25255	0.6
134.10489	1.3
135.08070	1.2
135.11696	29.6
136.12021	0.7
137.05949	1.0
139.07550	1.5
143.08586	4.8
145.10118	15.6
151.11157	3.7
153.12761	0.9
161.09624	15.0
163.11185	39.8
173.09651	1.0
179.10703	1.3
181.12231	7.9
197.11739	1.6
209.11713	1.9
211.13348	0.7
216.69554	0.6
227.12788	46.5
235.13344	2.2
253.14368	67.1
254.14632	0.8
267.15875	0.7
283.15402	54.8
300.26154	0.7
327.14362	0.8
341.21082	0.8
359.21622	0.7
443.23975	1.4
461.25336	100.0
462.25589	4.0
479.26257	1.2
496.29947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.03422	2.7
57.07077	100.0
59.05002	44.9
60.71624	1.1
61.77738	1.0
64.90846	1.0
66.91721	1.2
69.07060	3.4
71.08634	74.5
71.49827	2.0
79.05489	1.3
81.07050	2.4
83.08608	3.1
85.10183	70.8
87.04452	2.4
87.89636	1.1
89.06030	16.5
95.08601	2.6
97.10140	4.2
99.08097	1.4
99.11730	9.7
99.90561	1.2
101.06066	1.5
101.09648	3.2
113.13274	5.3
117.09141	16.9
123.96319	1.2
133.08609	5.2
147.10211	1.9
153.74002	1.1
155.17943	9.6
159.51901	1.6
175.13316	2.2
177.11229	6.0
195.12231	3.4
213.22137	17.9
253.16428	2.7
271.26343	19.1
293.19711	1.2
311.20438	1.3
341.43362	1.1
377.57495	1.2
656.52545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.8
55.05510	21.1
57.03416	2.1
57.45287	1.3
67.05503	21.0
69.03416	3.9
69.07043	6.0
69.07385	1.4
69.15014	13.2
69.15428	2.5
75.11211	1.4
79.05496	20.0
81.03384	2.1
81.07058	13.4
83.04962	1.6
83.08619	12.5
85.02908	2.1
85.06526	1.9
89.01972	1.4
91.05479	19.4
93.07055	9.8
95.04958	2.3
95.08620	6.7
97.06541	1.9
97.10167	20.8
98.20781	2.9
103.05468	10.2
105.07030	13.6
107.04981	1.7
107.08588	12.4
109.06517	2.6
109.10142	5.4
115.05439	5.0
117.06236	2.0
117.07020	28.3
119.08544	7.3
121.06511	1.9
121.10143	1.8
123.08098	1.4
125.09631	18.0
128.06189	3.8
129.07018	10.7
131.04909	1.5
131.08568	17.5
133.06512	4.0
133.10097	3.3
135.08026	4.5
141.07007	7.8
142.07735	1.5
143.08553	8.1
145.06467	5.3
145.10117	5.6
147.11693	2.5
149.09576	2.3
153.09076	2.6
155.08588	7.4
157.06532	2.8
157.10097	3.5
159.08067	2.8
159.11609	1.4
167.08516	2.2
169.10120	5.8
171.08047	3.3
171.10242	1.8
171.11667	3.7
173.13237	1.4
181.10216	1.5
185.13225	2.0
187.14839	5.9
189.11217	8.6
195.11668	2.1
197.13293	9.2
199.11143	1.5
215.14323	33.9
221.13206	1.8
225.12733	2.3
227.12741	18.3
231.14020	1.8
237.12880	1.8
241.12151	1.6
241.15735	1.6
271.17075	2.9
349.21594	6.5
367.22443	9.0
385.23898	9.5
403.24841	2.9
441.26349	53.8
442.26498	1.7
459.27441	100.0
460.27490	3.7
477.28482	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	655.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.7
55.01877	5.5
55.05518	23.8
57.03439	13.8
57.07067	8.3
60.78793	2.3
61.02920	23.1
65.03928	7.1
67.05507	100.0
69.03430	14.9
69.07076	19.3
69.16743	29.0
70.06575	10.0
71.04993	19.1
71.08637	2.7
72.08155	3.1
73.02901	7.3
75.07318	2.4
79.05492	63.3
81.03420	54.0
81.07055	94.6
83.04986	22.3
83.08613	13.2
84.04490	5.2
85.02909	26.6
85.06532	14.5
87.04486	3.1
91.03961	15.1
91.05480	67.3
93.06496	4.5
93.07047	67.3
95.04964	17.3
95.08606	34.4
97.02885	21.7
97.06510	10.4
97.10133	8.0
99.04434	9.8
105.07025	40.3
107.04963	7.0
107.08602	26.6
109.02878	10.4
109.06494	11.3
109.09478	3.7
109.10152	39.8
111.04406	3.5
111.08092	6.0
115.21775	2.4
117.05633	2.6
117.07026	19.2
119.08599	22.4
121.06503	6.2
121.10140	17.4
123.08069	5.2
123.11668	7.7
127.03894	10.4
129.05504	6.2
129.06972	12.3
131.08571	20.3
133.06445	2.9
133.10138	27.5
135.08057	4.0
135.11681	14.7
141.06902	3.5
143.08583	8.8
145.04880	2.9
145.06497	2.9
145.10161	14.6
147.08003	4.5
147.11705	29.9
149.09587	11.3
149.13257	6.7
151.11163	9.3
155.08643	2.9
155.10674	3.1
157.10088	8.2
159.11694	14.6
161.09641	6.4
161.13161	5.7
163.11172	6.0
165.12723	4.7
169.10110	3.6
171.11681	16.4
173.04501	20.4
173.05911	3.9
173.11719	6.3
173.13153	3.8
175.11148	8.2
177.12769	16.7
185.13124	3.0
187.11411	2.3
187.13246	6.3
189.12738	6.4
193.12144	6.7
195.11731	3.0
195.13695	2.8
207.13748	11.5
211.13179	3.5
225.14804	14.9
227.12602	3.4
227.16391	2.9
243.16039	4.4
255.15825	3.3
257.17499	3.1
267.16028	12.5
269.17450	11.4
275.20142	3.7
281.17444	32.4
282.19977	3.0
299.18478	3.2
351.23135	5.2
431.22849	4.4
435.27417	47.6
437.29025	50.9
443.27722	6.8
459.27036	3.9
461.29001	68.3
492.79529	3.1
493.31555	12.7
605.32990	12.1
623.34473	16.1
637.35706	12.6
655.36615	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	655.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01888	0.8
55.05511	20.5
57.03419	1.0
57.07076	23.2
59.04988	1.5
67.05502	2.0
69.03404	0.7
69.07072	1.4
71.04984	4.4
71.08604	1.1
79.05499	2.0
81.07069	3.3
83.04978	94.3
85.10157	1.3
91.05476	6.7
93.07039	1.6
95.01926	0.7
95.04980	2.4
95.08619	1.8
98.98469	7.5
105.04523	1.5
105.07020	3.4
107.08602	1.5
109.10136	0.9
115.05446	1.4
117.07000	1.2
119.08585	2.4
121.06430	0.8
128.06224	6.5
129.07002	14.5
131.08554	1.3
133.10164	1.6
141.06995	3.4
145.06505	1.6
145.10150	0.7
147.08029	6.4
147.11685	13.0
151.01558	2.5
153.69186	0.8
155.06046	2.0
157.07695	3.8
169.07631	1.6
175.01556	43.8
181.02603	71.8
185.13330	1.3
187.01578	2.5
191.70421	0.7
199.03658	1.6
220.85257	0.7
227.04689	30.3
229.01962	0.9
231.07898	3.2
239.04745	3.4
257.05679	9.0
274.91870	0.7
275.06760	0.9
283.10910	8.2
292.84509	0.7
310.90982	0.7
313.11966	45.6
321.15515	1.0
331.13147	3.1
369.18243	24.0
431.06760	1.4
487.13028	5.2
543.19098	56.4
544.19647	1.7
599.25323	100.0
600.25647	2.6
655.31677	48.6
655.42047	5.8
656.31793	1.6
665.10449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.1
55.01849	0.1
65.03931	0.1
66.97173	0.1
67.01874	0.7
68.69271	0.1
68.99786	0.8
69.03428	0.3
70.06578	0.3
70.61198	0.1
70.61534	0.2
72.08122	0.1
77.03960	0.2
81.03420	1.0
84.08144	0.1
85.02885	0.3
86.09686	0.1
89.03914	0.3
91.05479	3.8
97.02884	0.1
99.04465	0.1
103.05452	0.1
105.03371	0.2
107.04934	0.3
108.27177	0.1
109.02876	0.3
109.06561	0.1
111.00788	0.2
117.03365	0.2
119.04935	5.9
120.08105	0.2
120.99402	0.1
127.03905	0.2
129.01790	0.2
129.03392	0.1
129.10211	0.1
132.02063	0.3
135.04422	1.9
136.05190	0.1
136.07509	0.1
137.02347	1.2
139.05389	0.1
145.02859	0.1
147.04411	5.1
149.02359	0.2
153.01822	6.8
157.03990	0.6
157.06476	0.1
161.02332	1.2
164.04640	0.1
171.02879	0.8
175.03908	9.7
176.04271	0.2
179.03470	0.4
179.07028	0.4
184.13382	0.1
192.04146	0.2
203.03339	0.2
207.06523	25.4
208.06885	0.3
213.05406	0.1
219.06580	0.4
241.04919	1.0
245.04475	0.3
259.06076	0.2
263.05322	0.1
269.04462	0.5
287.05484	100.0
288.05801	1.9
293.52545	0.1
351.10745	2.2
369.11844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3534
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.22626	3.2
53.03938	13.9
55.01865	10.2
55.05521	29.7
57.03440	18.6
60.96054	3.8
61.02916	4.8
64.10625	3.2
65.03901	3.5
67.05190	5.1
67.05508	74.2
69.03420	17.4
69.07059	14.7
69.14433	36.3
70.98160	3.6
71.04983	13.6
79.05499	93.3
81.03421	100.0
81.07063	67.6
83.04977	39.8
83.08614	24.2
85.02903	19.6
85.06544	6.5
86.09698	4.1
91.05482	91.2
93.07045	77.6
95.04971	48.1
95.08603	37.2
97.02875	12.0
97.06524	8.4
97.10144	8.8
98.20806	6.3
105.07030	57.0
107.04940	15.9
107.08586	28.5
109.02877	11.7
109.06482	8.3
109.10157	18.8
111.04421	11.3
111.08050	9.1
117.07028	16.0
119.08590	37.3
121.06503	9.8
121.10146	15.8
122.58185	3.7
123.08054	8.2
123.11652	5.2
127.03912	9.6
129.05438	3.9
129.07019	25.9
131.08548	20.9
133.06534	4.9
133.10124	19.8
135.11673	8.7
141.07095	4.2
142.07742	3.8
143.08563	10.0
145.06471	7.1
145.10121	14.2
147.08011	5.8
147.11725	38.3
149.09627	10.0
157.10117	10.9
159.11702	4.4
161.09560	6.4
161.13245	9.2
163.11137	10.7
169.10136	4.2
171.11707	24.9
173.04472	5.5
175.11154	13.8
178.37518	3.8
178.80728	3.2
181.98669	3.6
189.12755	9.2
193.12244	31.6
207.13768	28.4
211.13307	34.9
227.12711	16.1
267.15897	32.9
281.17477	64.7
285.16983	7.4
355.17456	3.7
398.26389	3.6
403.27774	3.7
410.26233	6.6
429.21057	7.2
455.27756	4.7
456.30240	6.8
473.29004	92.0
474.28879	4.0
491.30002	23.4
596.44342	3.7
635.34332	25.3
653.34821	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	652.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.6
67.01061	0.4
69.03419	0.7
69.83502	0.4
69.84566	2.5
70.06592	1.6
72.08158	0.5
73.02907	0.7
73.06568	2.9
83.51747	0.5
84.08141	0.6
86.09723	0.9
87.04474	13.2
87.04988	1.0
89.06037	100.0
107.07057	0.9
113.06009	0.5
117.09157	1.6
130.08649	1.3
131.07040	4.7
133.08609	59.7
135.10196	0.5
136.07658	0.6
139.03947	0.6
149.02335	1.6
151.03935	0.5
175.09656	2.7
177.11232	20.9
219.12384	0.7
221.13808	3.5
265.16629	1.0
283.17645	0.6
290.80356	0.6
309.19086	0.7
327.20340	0.6
353.21783	0.8
416.80222	0.5
441.11255	0.6
494.28003	0.5
635.38202	2.9
652.41766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	6.6
69.03409	0.8
69.81955	2.7
69.82374	1.1
70.06586	1.6
71.94296	0.6
73.06541	1.4
81.03403	0.7
85.02895	1.8
86.09721	1.4
86.60683	0.7
87.04471	8.0
89.06033	100.0
91.07580	0.9
98.21355	0.7
103.07589	1.2
107.07101	1.1
115.09019	0.6
117.09119	0.8
127.61477	0.6
131.07072	1.9
133.08609	58.6
147.10202	0.9
148.26042	0.6
150.05489	0.7
175.09711	1.6
177.11230	25.5
191.12801	1.4
192.68994	0.6
221.13843	5.7
239.14919	1.7
260.62680	0.7
265.16483	1.8
283.17661	1.7
309.19159	1.1
327.20212	2.9
371.22919	2.9
415.25385	29.0
473.29657	8.8
534.09045	0.6
547.85785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.4
53.03933	9.1
53.21769	1.5
55.01866	4.8
55.05509	30.2
57.03437	12.8
57.07075	9.8
58.40340	1.6
59.01773	1.5
59.05010	3.4
61.24582	1.9
65.03951	4.9
67.05506	100.0
69.03429	30.3
69.07065	20.4
70.01795	1.8
71.04995	6.0
71.08618	7.3
79.05081	2.4
79.05496	36.6
81.02934	2.2
81.03417	57.7
81.07058	67.6
83.04977	24.3
83.08612	14.9
84.08144	1.9
85.02894	5.3
85.06543	3.8
85.10173	2.8
89.05973	2.2
91.05483	35.3
93.06487	2.7
93.07047	39.7
95.04955	9.8
95.08604	43.4
97.02894	19.5
97.06519	4.5
97.10172	15.0
99.04465	6.9
103.05415	2.6
105.07037	20.8
107.04948	5.1
107.08591	26.9
109.02865	7.5
109.06509	3.5
109.10151	55.1
110.78455	1.8
111.04444	9.8
111.08083	3.1
115.05438	3.8
117.07021	9.4
119.08588	21.9
121.06517	4.0
121.10168	14.1
123.04443	2.4
123.08057	2.5
123.11713	5.9
125.09653	12.0
127.03909	9.3
128.06235	2.5
129.05490	8.1
129.07014	9.0
131.08562	18.9
133.06502	3.5
133.10153	14.8
135.08047	4.2
135.11693	9.8
137.09618	2.8
137.13252	2.3
141.06982	2.6
143.08578	8.6
145.06479	5.2
145.10100	11.4
147.08064	4.1
147.11691	11.3
149.13248	7.4
155.08542	3.7
155.10634	4.5
157.10149	9.2
159.08105	1.9
159.11728	12.0
161.05890	1.8
161.09665	3.2
161.13223	5.1
163.11224	2.7
163.14809	2.0
165.06941	1.8
167.08493	2.1
169.10150	2.8
171.08086	3.0
171.11646	4.6
173.11740	14.1
173.13284	6.2
175.14796	2.5
177.12842	2.0
181.10153	2.8
183.11681	3.2
184.07327	4.2
185.13223	3.3
187.11247	2.1
187.14914	3.4
189.11229	12.8
189.12755	2.8
195.11746	2.5
195.13788	1.9
197.13222	2.3
199.14864	2.7
201.12766	2.8
215.14360	1.7
227.12772	13.5
229.14323	24.2
245.13846	3.4
261.22092	6.7
263.23611	2.9
277.21747	2.7
289.21829	2.2
299.15283	1.9
301.21545	4.2
303.23172	3.6
313.21664	2.9
313.27179	2.4
314.27792	1.8
327.23093	2.4
335.25766	8.7
337.27328	11.9
345.24213	2.8
351.23373	3.5
369.24161	9.0
371.16660	3.5
373.18323	3.1
377.78232	1.7
387.25262	5.9
395.20343	3.2
405.26303	3.3
461.28925	4.1
479.30118	4.1
489.35883	5.9
510.38736	4.7
519.35724	2.2
597.37836	4.3
615.39307	5.8
633.40155	17.1
651.43677	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	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18428	1.9
53.03934	6.3
55.01871	4.6
55.05510	26.6
57.03436	11.0
57.07062	7.6
59.04993	4.4
65.03941	4.5
67.05502	100.0
69.03428	27.9
69.07064	14.7
71.04981	8.1
71.08611	5.3
79.05501	31.2
81.03419	42.7
81.07053	59.0
83.04985	20.9
83.08607	15.7
85.02902	5.7
85.06533	2.4
89.06049	3.0
89.51019	2.2
91.05478	32.4
93.07043	34.2
95.04964	8.8
95.08607	40.2
97.02882	10.9
97.06537	4.5
97.10181	11.9
99.04446	5.5
99.08096	5.2
105.04518	2.4
105.07038	21.3
107.04951	2.9
107.08588	25.7
109.02900	8.2
109.06503	6.9
109.10158	60.5
111.04431	6.9
111.08101	3.5
117.07005	10.2
119.08576	24.9
120.08949	2.1
121.06493	2.9
121.10146	16.2
123.08098	4.3
123.11722	5.0
125.09621	11.1
127.03923	6.2
128.06250	2.5
129.05460	7.5
129.06995	8.5
131.08572	19.5
133.06487	4.7
133.10124	13.4
135.08037	6.5
135.11671	8.2
137.09630	5.3
137.13275	2.6
139.11230	3.4
141.06963	3.6
143.08578	7.1
145.10114	13.3
147.08044	3.9
147.11679	8.9
149.09578	2.2
149.13245	8.7
153.25647	2.1
155.08559	5.0
155.10664	6.8
157.06541	2.4
157.10129	7.1
159.08189	2.2
159.11717	9.2
161.09544	4.0
161.13266	5.2
169.10219	3.6
171.11667	5.6
173.09547	2.5
173.11749	16.0
173.13263	9.1
175.11313	2.0
175.14885	2.9
177.12825	2.1
179.14230	2.1
181.10109	2.3
183.11703	3.9
184.07338	6.9
185.13338	4.3
187.11230	3.4
187.14769	4.1
189.11255	10.9
199.11256	2.7
213.12889	2.5
227.12781	10.5
229.14278	30.2
229.16193	2.1
245.13805	3.7
261.22159	4.4
268.14572	2.1
271.20764	2.0
277.21771	2.9
299.14856	4.4
301.21643	5.8
303.22992	2.5
313.27350	3.6
319.22583	2.7
335.25739	6.3
337.27631	4.3
341.24820	2.1
351.23090	4.5
369.24240	11.0
371.16879	4.6
373.18375	3.8
387.25256	6.0
405.26367	3.2
419.27960	2.1
461.28598	3.5
479.29834	4.3
489.35651	6.2
510.39429	2.7
536.41949	2.4
605.20166	2.4
615.38879	5.6
633.39874	18.4
651.42529	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	651.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.03946	18.1
55.01867	6.5
55.05514	26.4
57.03437	4.9
57.07064	3.4
61.02909	2.7
61.72602	2.2
65.03938	4.1
67.05505	79.5
67.32224	2.2
69.03433	25.0
69.07077	16.6
71.04995	48.2
73.06556	2.2
79.05492	81.5
80.39266	2.0
81.03418	61.5
81.07056	100.0
82.60396	1.9
83.04975	19.8
83.08621	12.7
85.02911	10.5
85.06540	7.0
91.05480	78.8
93.06486	3.7
93.07049	60.2
95.04974	25.9
95.08609	31.2
97.02879	15.3
97.06521	9.9
97.10166	4.0
99.04452	5.6
99.08076	3.0
105.04524	4.2
105.06324	3.4
105.07033	61.6
107.04974	8.4
107.08594	29.8
109.02877	17.3
109.06517	6.2
109.10159	10.0
111.04445	7.4
111.08054	3.0
115.05445	2.3
117.07014	17.1
119.08585	25.9
121.06444	4.2
121.10155	9.6
123.04448	2.7
123.08062	6.6
123.11703	11.3
125.09673	2.2
127.03913	12.2
128.06247	3.6
129.06996	14.9
131.08562	12.3
133.10117	31.4
135.08011	2.0
135.11703	6.2
143.08563	8.6
145.10124	14.1
147.08099	3.4
147.11693	32.4
149.09674	3.6
149.13258	8.8
151.11218	8.0
155.08543	2.2
157.10164	3.1
159.11710	9.2
161.09703	6.1
161.13228	10.9
163.11147	4.1
165.12729	4.0
171.06595	3.1
171.11699	25.8
173.04460	9.7
173.13223	2.1
175.11186	3.9
177.12767	5.1
183.13820	4.5
187.11746	2.2
187.13297	11.3
189.12770	8.0
193.12253	4.7
195.13873	5.4
201.14856	2.7
207.13777	35.1
225.14861	4.2
229.14362	2.5
257.17621	2.7
281.17648	12.3
295.19052	3.0
339.18054	5.9
389.19806	3.9
395.20502	4.2
421.42236	2.1
427.23346	4.5
431.27878	3.6
433.29517	6.9
447.31320	2.6
449.29095	32.6
451.23059	2.6
463.30524	12.1
465.32407	5.5
475.30536	13.1
507.33112	11.3
619.34735	22.6
633.35504	3.1
648.59137	2.3
651.37433	41.6
652.22992	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3352
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
53.03942	1.2
55.01874	1.1
55.05510	2.2
56.57286	0.5
57.03434	1.9
57.07063	0.5
60.62782	0.6
61.02928	2.3
67.05498	6.1
69.03426	2.9
69.07067	1.5
69.71694	0.5
71.04994	0.7
71.24854	0.8
73.02916	2.6
79.05490	4.1
81.03411	3.3
81.07061	6.2
83.04968	1.5
83.08624	1.0
85.02908	2.5
91.03981	2.4
91.05461	3.7
93.07047	6.6
95.04961	1.7
95.08611	3.2
97.02889	3.1
97.06525	1.6
97.10164	0.9
99.04452	1.1
99.08073	0.8
101.02415	0.7
105.07047	2.4
107.04935	0.5
107.08609	3.2
109.02883	1.7
109.06512	0.6
109.10166	1.2
111.08073	0.9
117.07032	0.9
119.08571	1.8
121.06491	0.8
121.10140	1.4
123.08098	0.6
127.03918	1.0
131.08592	1.1
133.10173	1.6
134.12904	0.5
135.11687	3.2
135.98166	0.7
143.08638	0.6
147.11694	0.8
149.13287	1.8
159.11710	1.5
161.09602	0.6
163.11180	1.0
171.11722	0.7
179.06813	0.6
181.12329	0.8
193.12231	0.8
221.11586	0.7
235.12914	0.6
239.81505	0.7
243.08501	1.8
269.37857	0.5
370.90778	0.5
439.19412	5.6
453.21039	5.9
498.14969	0.7
542.14215	0.7
557.16913	0.8
580.38123	0.6
615.16620	1.8
616.17316	1.1
651.33466	100.0
652.33936	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	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18147	0.1
56.05027	0.5
57.07066	0.2
58.06620	0.5
59.07382	0.1
60.08164	6.5
67.05492	0.8
69.58041	0.5
69.58450	0.4
71.06989	0.2
71.07372	3.4
71.08614	0.4
81.03393	0.1
81.07061	0.3
86.09705	30.3
87.04444	0.2
91.93426	0.1
93.07023	0.2
95.08602	0.3
98.98466	3.2
104.10738	2.2
109.10162	0.4
119.08521	0.1
125.00004	20.1
143.01039	0.2
151.11168	0.1
157.45581	0.1
167.88074	0.1
184.07339	100.0
185.07678	0.3
214.63808	0.1
241.08018	0.1
277.51099	0.1
313.27408	0.3
394.20120	0.2
435.28314	0.1
496.33868	0.3
509.38400	0.5
650.43939	5.8
651.44598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.8
57.03439	8.5
57.07076	20.8
59.05014	1.0
61.02932	4.7
64.71052	0.9
67.05193	1.4
67.05511	18.9
69.03381	1.1
69.07072	7.3
71.04998	1.2
71.08636	18.7
71.50572	1.8
75.60090	1.0
79.05493	2.6
81.07059	10.0
83.08618	4.7
85.02899	4.2
85.06529	1.6
85.10180	8.7
86.09699	1.2
89.06029	2.8
91.03889	1.1
93.07026	4.1
95.08611	100.0
97.02907	1.9
97.06531	2.5
97.10171	2.7
105.07053	1.3
105.83200	1.0
109.10157	3.8
109.81026	1.0
123.08060	2.8
123.11716	2.3
141.09096	6.1
159.10162	10.2
184.07350	3.8
215.12790	80.8
239.23909	1.5
313.27380	76.8
314.27786	1.4
453.35770	47.4
454.35919	1.4
509.41748	1.4
570.73474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
54.63054	0.8
54.98691	0.8
55.01865	3.5
55.05510	19.0
57.03443	4.9
59.05006	0.8
61.02928	2.2
66.74043	0.7
66.81453	0.8
67.05502	18.6
69.03418	2.4
69.07074	4.2
70.06577	2.9
71.05000	1.5
72.08138	1.2
73.02898	1.9
79.05493	14.3
81.03409	2.2
81.07054	14.0
81.61518	0.9
81.95477	0.8
83.04967	3.8
83.08617	16.1
84.08130	1.2
85.02912	1.4
85.06545	1.0
86.09696	3.0
91.05477	7.0
93.07038	14.7
95.04950	2.7
95.08604	15.0
97.02891	2.1
97.06548	1.5
97.10167	28.9
98.10513	0.9
99.00832	1.4
99.04456	2.0
105.07010	4.5
107.04948	3.1
107.08595	17.2
109.02863	1.6
109.06482	1.5
109.10157	10.1
111.08114	2.0
115.05502	0.8
117.07008	5.0
119.08572	5.0
121.06485	2.5
121.10126	6.0
123.02703	0.9
124.99995	1.0
125.05979	1.1
125.09627	29.5
127.03866	1.1
130.07843	1.3
133.10120	4.7
135.08083	3.8
135.11693	17.9
139.07448	0.9
145.10130	10.3
147.04414	0.9
151.11227	1.0
153.09093	2.4
163.09877	1.5
163.11177	24.7
171.10210	3.7
173.11722	1.3
181.12210	5.1
184.07359	3.8
189.11208	22.6
193.12122	1.0
209.11710	1.3
225.11070	1.2
227.12779	100.0
229.14355	7.8
243.15778	0.9
245.13857	54.0
258.26944	0.9
267.16049	1.4
281.13983	1.6
283.15399	26.3
299.14795	6.5
345.74545	0.9
453.24823	77.2
555.15411	0.8
650.17230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16593	2.8
51.88667	2.7
53.03950	17.4
55.01859	7.1
55.05513	30.6
57.03443	14.5
61.02920	4.7
65.03931	6.5
65.74184	3.1
67.05184	5.4
67.05511	77.3
69.03432	24.8
69.07069	17.4
70.06586	7.5
71.01350	4.7
71.04979	7.2
73.02898	3.4
77.03937	3.3
79.05495	100.0
81.03419	47.9
81.06597	4.5
81.07058	75.1
83.04985	24.8
83.08618	10.2
84.08140	2.8
85.02925	15.4
85.06525	6.9
91.05488	94.6
93.07046	89.2
95.04974	37.5
95.08613	49.1
97.02901	17.0
97.06520	8.2
97.10143	8.4
99.04426	8.3
103.05466	5.5
105.04504	4.8
105.07032	75.4
107.04961	18.3
107.08586	28.0
109.02866	11.6
109.06512	13.4
109.10157	10.5
111.04420	5.6
111.08029	3.9
115.05470	7.4
117.07015	32.3
119.04932	4.5
119.08582	33.6
120.05759	2.9
121.06503	7.9
121.10163	9.9
123.04423	7.3
123.08051	12.4
127.03928	8.4
128.06230	9.4
129.06981	33.7
131.04890	7.0
131.08597	23.6
133.06497	13.5
133.10144	19.6
135.08011	7.2
135.11650	4.2
137.09636	4.7
139.03807	3.4
141.06995	9.4
143.08557	22.7
145.06445	8.4
145.10146	24.9
147.08047	8.3
147.11682	34.6
149.09717	3.9
151.07466	4.3
153.06918	4.0
155.08566	6.8
157.06517	6.3
157.10152	8.4
159.06839	3.3
159.08055	9.2
159.11676	7.6
161.09657	5.8
161.13255	18.2
163.11142	3.7
167.08545	8.9
169.10121	5.5
171.08089	7.4
171.11679	37.2
173.04443	9.0
173.09673	6.4
173.36337	3.5
179.14349	4.2
181.10156	4.8
185.09627	5.0
185.13301	3.7
189.12767	21.2
195.11740	5.2
207.11861	4.7
207.13782	36.6
209.13309	4.3
211.11227	3.2
221.15364	6.3
225.14859	5.3
233.15422	3.5
241.15823	3.7
251.14246	5.8
257.15152	3.5
259.16797	4.2
263.16470	3.4
269.15387	11.5
275.22403	2.8
275.33264	3.2
281.17456	67.5
287.16385	16.3
291.19272	4.0
305.17374	3.4
351.18182	4.2
361.20074	4.7
425.21268	5.2
437.17758	3.7
487.30560	40.0
501.32413	4.6
548.68079	4.0
553.30933	3.3
567.33356	5.0
605.08978	3.4
631.34216	6.4
649.31488	49.4
649.41211	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	649.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	5.2
53.03944	15.1
53.75221	2.7
54.10148	3.5
55.01867	7.3
55.05516	26.0
57.03436	11.2
65.03934	9.1
67.05509	70.8
67.39046	2.8
69.03433	21.8
69.07069	17.8
70.89201	6.0
70.89547	5.3
71.04980	9.2
79.05498	100.0
80.37077	3.9
81.03425	37.2
81.07059	56.8
83.04996	26.9
83.08606	10.9
85.02911	16.7
85.06592	4.4
91.05486	87.6
93.06487	6.6
93.07049	84.4
93.07642	4.8
95.04969	38.5
95.08614	34.9
97.02890	12.4
97.06529	7.5
97.10171	6.5
99.05277	3.1
103.05457	5.6
104.06190	3.1
105.04530	4.5
105.07034	69.4
107.04951	16.6
107.08602	29.6
109.02888	9.7
109.06536	7.5
109.10111	4.4
110.53165	3.1
115.05462	7.5
117.07039	28.4
119.08578	28.6
121.06519	7.4
121.10132	10.0
123.08053	12.8
127.03913	9.0
128.06244	9.9
129.05516	3.9
129.07007	37.0
131.04924	4.7
131.08580	20.0
133.06493	9.8
133.10120	13.6
135.08116	3.8
135.11690	5.7
136.91014	3.0
138.02309	3.0
141.07088	3.7
143.08594	21.8
145.06512	11.1
145.10152	16.6
147.08073	7.5
147.11687	34.7
155.08575	9.3
157.10095	6.6
159.08032	7.3
159.11716	8.2
161.09564	6.8
161.13281	17.8
167.08545	9.3
169.10205	5.8
171.08058	4.9
171.11705	34.3
173.04462	12.0
173.09763	3.6
173.13257	5.4
175.11235	3.3
179.14340	4.6
181.10155	4.3
185.09550	4.3
185.13142	6.1
187.11214	4.6
189.12784	16.3
191.72955	3.2
197.13376	4.2
207.13846	42.3
209.13127	3.9
221.15459	3.4
223.14818	5.4
225.14745	4.0
241.15910	4.4
251.14334	9.0
259.16962	3.8
263.16321	3.3
269.15329	12.9
279.15897	3.8
281.17477	63.4
287.16336	18.6
315.16016	4.5
316.54712	2.8
317.17255	2.9
351.18192	4.0
361.20313	4.4
381.79092	4.0
425.21979	6.6
487.30533	34.6
567.33002	6.5
631.34125	6.4
649.50830	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	648.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37023	0.7
55.01866	1.9
56.05053	0.8
57.03432	0.8
57.46434	0.7
65.03947	1.2
67.05492	2.0
68.99790	3.3
70.06593	13.4
70.93301	1.2
70.93633	1.1
79.05474	1.0
79.23562	0.8
81.07068	1.2
89.03919	1.1
91.05490	2.0
93.03394	0.8
93.91927	0.7
95.04966	7.0
95.81374	0.7
105.03377	1.8
105.07025	1.9
105.47749	0.7
107.04958	2.7
109.06497	1.7
110.06039	0.9
110.07161	0.8
111.04430	1.6
115.05503	2.1
117.03324	1.0
117.07024	2.0
119.04913	1.4
119.23604	0.7
121.02896	1.8
123.04430	38.8
125.04060	0.8
129.07019	0.8
131.04962	1.5
133.06522	2.8
135.04419	28.8
135.56541	0.7
136.07550	1.8
137.02354	2.5
137.05980	1.6
138.05498	2.3
139.03909	19.8
139.04918	1.4
140.52538	0.8
141.35579	0.7
144.08090	3.2
145.06520	2.5
147.04413	7.2
149.05998	1.8
151.03900	8.2
151.07521	4.2
153.05484	3.2
155.07057	0.9
157.06516	2.0
159.04436	1.5
161.05991	9.5
163.03909	30.6
163.05263	1.6
163.07533	3.8
165.05498	1.9
165.06779	0.9
167.07060	1.5
169.06453	0.8
171.04437	0.9
173.06017	3.2
175.03963	2.3
175.07567	1.4
176.07048	0.7
177.05460	3.7
178.08693	2.5
179.03513	1.5
179.07034	32.5
185.05984	1.8
187.03900	2.5
187.07582	0.8
188.07034	3.7
189.05431	1.6
189.09077	0.9
190.08682	2.9
191.03447	2.3
191.07045	6.5
193.04942	0.9
194.08115	0.9
196.09668	12.3
197.05969	1.1
199.07603	1.1
201.05569	2.6
203.03438	2.5
203.07088	3.1
207.08165	1.6
208.09744	3.7
209.05971	0.8
211.07553	1.0
213.05542	2.3
215.07008	1.6
217.05057	1.6
219.06583	1.4
221.07965	1.1
225.09093	0.9
227.07092	1.7
229.05019	2.2
235.07545	1.2
236.09235	1.2
237.05530	0.8
238.10732	1.5
239.07045	1.4
241.04971	1.0
241.08598	0.8
243.06543	1.7
249.09242	1.4
253.04999	1.7
253.08717	2.6
255.06432	5.6
257.04556	1.2
257.08133	1.2
259.05914	4.8
263.07117	2.0
265.05017	0.9
267.06592	1.4
269.04520	1.5
269.08127	2.3
271.06094	1.9
273.07736	1.5
277.08603	1.4
279.06488	1.7
281.04599	2.7
281.08093	8.1
283.06042	9.0
283.09259	1.2
285.07645	2.7
287.05707	1.2
287.09341	1.1
291.06470	2.0
293.08182	1.8
294.05164	2.3
295.06287	1.6
295.09735	3.5
297.07565	9.7
298.10843	5.1
299.09192	8.9
301.07104	3.2
303.08884	1.0
305.08005	1.7
308.09146	13.8
309.07553	35.3
310.08218	1.5
311.09171	3.1
313.07315	0.8
313.10855	2.4
316.11792	20.8
321.07578	1.5
322.10904	3.9
322.14148	0.8
323.09036	5.4
326.10220	27.4
327.08679	2.1
328.11871	1.3
338.10614	1.0
339.08646	7.0
340.11868	3.5
341.10144	4.9
351.08817	0.9
358.12897	22.0
411.10748	1.7
433.12732	1.0
435.47208	0.9
443.10962	1.2
449.12320	0.8
460.13937	2.9
461.12354	8.2
462.12183	1.0
478.15018	29.0
479.14044	1.6
496.16098	3.2
630.19940	1.9
648.20728	100.0
649.21222	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	646.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01868	1.8
55.05510	7.9
57.03442	8.6
61.02935	1.9
65.03941	1.3
67.05508	32.7
67.18569	0.8
69.03477	1.2
69.07064	11.7
70.06600	0.9
71.01355	1.9
71.04981	3.0
73.02910	1.7
79.05497	22.7
81.03415	2.3
81.07057	29.0
83.04998	5.1
83.08614	6.3
85.02904	3.0
85.06544	2.3
91.03988	0.9
91.05486	11.0
93.07047	37.6
94.07367	1.0
95.04962	3.3
95.08600	7.8
97.02878	1.4
97.06538	7.3
97.10161	5.4
97.24940	1.0
99.08083	2.5
105.07043	4.4
107.04955	0.9
107.08598	23.2
109.06519	1.5
109.10166	3.1
111.08099	3.5
117.07033	4.0
119.08595	2.9
121.06507	1.1
121.10143	7.8
131.08559	4.1
133.10117	4.2
135.08092	1.2
135.11694	22.6
137.09622	1.2
145.10118	4.6
147.11693	1.5
149.02303	1.3
149.13254	10.6
153.12721	0.9
159.11659	4.3
163.11139	2.6
177.12724	2.3
181.12219	3.7
195.13805	4.2
214.44475	0.9
229.02734	1.3
255.15915	32.8
256.16174	1.1
269.17480	28.7
371.47644	1.0
429.12137	1.0
449.28998	100.0
450.29245	3.1
646.19312	1.0
646.32080	1.0
651.08124	1.0
678.95551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
67.05501	2.7
68.99793	2.7
70.06597	14.2
70.96713	1.4
70.97054	2.0
91.05463	1.7
93.03413	1.9
95.04983	8.5
105.03394	1.6
107.04979	3.2
109.06474	1.4
111.04436	1.6
115.05440	1.8
117.07032	2.2
119.04975	1.7
121.02900	1.0
123.04432	36.3
129.06958	1.2
133.06480	1.9
135.04419	26.6
136.07613	1.9
137.02364	3.6
137.05989	1.8
138.05522	2.2
139.03906	18.8
144.08069	2.0
145.06514	2.1
147.04393	6.9
149.06041	2.0
151.03894	8.0
151.07574	2.7
153.05515	1.7
153.06999	0.9
159.04373	1.0
161.06015	7.9
163.03899	25.4
163.07568	4.2
165.05490	1.7
165.48546	1.0
167.07031	1.4
169.06503	1.3
170.85686	1.1
173.06032	4.0
175.03917	1.7
175.07698	1.2
177.05508	2.7
178.08713	1.5
179.03456	2.0
179.07037	32.6
183.04507	1.3
185.05969	1.6
187.03926	1.8
188.07066	2.5
189.05537	1.8
190.08687	4.0
191.03394	1.7
191.07018	8.9
193.05038	1.1
196.09673	11.7
197.06053	1.9
201.05450	1.9
203.03433	1.7
203.07097	3.6
208.09695	3.6
213.05563	2.2
217.28110	1.1
219.06538	1.5
223.07617	1.2
227.07144	1.4
229.05173	1.1
229.08475	1.2
235.07617	1.6
238.10791	1.5
239.07051	2.2
253.04977	1.8
253.08681	2.8
255.06509	4.8
257.08154	1.3
259.06061	3.6
267.06836	1.4
267.10071	1.1
269.04428	1.7
271.06088	2.1
273.07782	1.5
281.04770	2.0
281.08154	10.2
283.06030	8.8
285.07675	3.0
287.09235	1.4
293.08237	1.9
294.05096	1.5
295.06134	2.2
295.09698	2.2
296.09433	1.9
297.07498	9.5
298.10840	4.8
299.09070	8.6
301.07101	3.1
305.08197	1.9
308.09152	11.6
309.07535	30.6
311.09259	3.8
313.10764	1.4
316.11813	22.8
321.07819	1.3
322.10757	2.8
323.09244	6.2
326.10217	26.7
328.11920	1.7
339.08682	7.5
340.11902	4.3
341.10193	6.5
358.12799	21.5
411.10645	2.2
435.10910	1.4
460.13904	3.3
461.12308	8.7
478.14911	29.7
479.15417	1.2
496.16013	3.1
630.20001	2.1
648.20734	100.0
649.21216	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	645.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89148	2.3
54.02981	2.2
55.05503	9.9
56.90965	2.3
57.03424	5.0
57.07077	100.0
58.04207	11.8
59.05002	32.7
67.05515	13.5
69.07062	8.7
71.04998	4.6
71.08633	73.6
71.49671	2.5
72.05772	16.9
73.02901	10.6
73.06552	20.0
75.04469	5.0
77.70080	2.2
79.05479	6.6
81.07052	15.9
81.19956	1.9
83.04980	2.6
83.08625	7.9
85.10185	57.3
87.04472	25.1
88.05251	4.2
89.06044	30.9
90.01909	50.4
90.59929	2.6
91.05473	7.6
93.07042	5.1
95.08609	11.0
97.10146	6.3
99.11713	9.8
101.06033	3.8
102.06785	2.3
103.07586	21.8
105.07033	3.7
107.08633	3.0
109.10127	5.2
112.32529	2.2
113.13242	4.8
116.08368	7.0
117.09128	20.3
119.08577	5.9
121.10151	3.1
133.08601	14.9
133.10126	2.8
145.10161	3.1
147.10167	2.8
152.15613	3.8
155.17946	5.2
161.11722	5.6
162.60785	2.0
177.11264	6.0
178.07132	9.8
183.17392	4.9
187.25502	2.4
188.47072	2.1
192.40886	2.3
193.40988	2.2
194.13786	2.7
195.39639	2.0
207.12236	2.6
208.15424	5.2
213.22163	5.9
222.09717	10.0
222.17021	4.5
252.17937	3.2
257.24847	4.0
266.12335	3.8
266.19669	5.0
275.20016	2.5
282.19052	3.0
296.20667	4.6
310.22162	6.8
335.25800	4.5
340.23199	2.8
376.49084	2.5
406.35165	6.3
416.21344	3.3
494.40472	22.0
554.42401	2.6
571.33862	2.4
637.85242	2.6
645.25745	25.2
645.45251	5.1
646.26300	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	645.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05506	0.7
56.91411	0.3
60.00682	0.3
60.25483	0.3
63.02372	0.5
65.03939	1.1
66.31786	0.3
67.05489	1.3
68.99781	0.5
69.03408	0.9
70.06594	2.4
70.48909	0.9
74.06042	0.4
74.70253	0.3
79.05479	0.7
83.04974	2.5
84.08175	0.3
85.02892	0.8
89.03927	4.0
91.05467	1.0
93.03400	1.9
95.04952	1.2
107.04971	1.8
111.04448	5.1
117.03387	6.3
119.04927	1.3
120.08102	1.1
121.02898	0.4
123.04430	6.7
127.03925	0.4
129.05472	0.6
135.04414	13.0
137.02327	1.1
137.05966	3.0
139.03906	19.8
144.08078	1.8
145.02850	9.3
145.03886	0.3
145.07588	0.3
145.08800	0.3
147.04407	1.6
151.03839	0.4
161.05988	0.7
162.59404	0.3
163.03903	100.0
164.04251	1.0
165.05505	2.4
187.03917	0.4
191.03415	6.0
207.06505	0.6
217.07072	1.4
219.05070	0.5
259.05945	0.7
271.05966	0.7
291.08612	4.1
301.07104	3.7
337.09167	3.1
343.08157	0.7
355.10281	1.7
462.78571	0.4
471.17810	0.4
475.11981	0.5
501.35703	0.3
645.23926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3451
Annotation	Ervafoline
Peak:m/z	Relative Intensity
55.05504	0.9
56.05022	0.6
56.22826	0.7
57.03434	1.7
57.07074	6.3
60.93785	0.6
61.02930	4.8
65.17846	0.8
67.05507	2.5
69.03429	2.6
70.06593	1.0
70.71999	1.6
70.72366	1.0
71.05004	0.8
73.02911	2.3
79.05478	1.9
81.03413	3.0
81.07058	1.7
85.02922	4.8
86.09705	1.1
87.04479	0.7
89.06030	1.6
91.03970	2.8
91.05483	2.1
93.07059	1.6
95.04995	1.0
95.08627	1.5
97.02901	4.6
97.03444	0.7
99.04466	1.3
101.02398	1.9
101.33582	0.7
103.73792	0.6
105.07040	1.5
107.08596	0.9
109.02885	1.3
109.10194	1.5
119.08608	1.1
121.10157	1.3
124.99972	0.8
127.03953	1.0
127.11189	3.4
133.10217	0.8
147.11745	1.0
149.02339	1.1
149.09631	0.8
154.95340	0.7
167.10698	0.7
184.07346	1.7
193.04939	1.2
201.14862	2.3
225.15010	0.7
243.08633	1.0
283.15057	4.9
385.18436	8.5
429.11792	1.3
462.84567	0.8
501.23166	6.4
645.34576	100.0
646.35333	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	645.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
65.03936	1.0
67.05495	1.4
69.03403	0.9
69.61779	2.6
70.06590	2.3
76.79543	0.4
79.05521	0.5
81.03401	0.4
82.10139	0.4
82.72308	0.4
83.05010	2.5
85.02907	1.1
89.03927	3.7
93.03394	1.4
95.04964	1.2
100.35070	0.4
107.04946	2.0
111.04452	5.1
117.03391	5.9
118.22621	0.4
119.04929	1.0
120.08135	0.5
123.04438	6.0
129.05443	0.7
135.04428	11.9
137.02365	2.4
137.03291	0.5
137.05989	2.1
139.03915	16.4
144.08083	1.2
145.01775	0.8
145.02866	10.4
145.04010	0.9
147.04369	2.1
151.03918	0.5
157.05029	0.5
163.03911	100.0
164.04233	0.9
165.01846	0.8
165.05490	3.0
191.03423	5.3
200.03773	0.4
207.06525	0.5
217.07129	1.8
224.59367	0.5
259.05957	0.9
262.09613	0.5
273.07498	0.5
291.08673	4.3
301.07150	3.9
307.05923	0.5
336.20569	0.4
337.09256	3.3
355.10321	1.8
493.13876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
57.07077	89.1
59.05001	14.8
69.07056	1.7
69.38806	3.5
69.39236	3.4
71.08634	57.2
73.06539	4.2
83.08614	1.6
85.10183	53.6
87.04468	9.5
89.06032	100.0
91.17427	0.9
97.10142	1.2
99.11744	8.5
103.07582	6.9
107.07065	1.5
113.13272	2.9
117.09129	3.2
131.07086	5.2
132.77113	0.8
133.08606	75.7
155.17967	5.1
175.09671	3.2
177.11224	28.3
192.19307	1.0
205.02553	1.0
213.22095	4.7
219.12224	1.8
221.13895	5.5
239.14944	1.2
257.24695	3.9
265.16489	1.2
283.17557	1.6
309.19153	1.1
327.20084	1.7
353.21759	1.1
371.22733	2.1
415.25330	12.4
419.89133	1.0
429.75720	1.1
455.28494	2.0
627.47498	1.2
644.49072	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	644.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.0
57.03417	1.2
57.07077	100.0
59.05002	30.2
67.05489	2.5
69.07056	2.4
71.08634	92.8
73.06558	1.3
77.32265	0.7
79.05477	2.2
79.76600	0.8
79.77050	0.8
81.07041	2.3
83.08609	3.2
85.10185	91.8
86.65961	0.8
86.66593	0.8
87.04477	8.6
87.08109	0.9
88.01782	0.9
89.06033	76.6
91.05463	1.5
93.07050	1.3
95.08617	1.8
97.10152	2.2
99.11739	10.8
101.09641	2.2
103.07581	1.5
105.07032	1.1
107.07055	1.5
107.08573	0.7
109.10158	1.2
113.06007	0.9
117.09134	5.5
119.08572	0.9
121.10187	0.8
130.08627	2.0
131.07028	2.9
131.08528	1.2
133.08607	58.4
141.16379	11.2
147.10184	0.9
159.11681	0.8
175.09688	3.6
177.11224	22.3
199.20564	20.8
219.12404	1.1
221.13905	4.0
239.14961	1.0
240.23273	1.0
257.24741	8.1
265.16461	1.0
283.17532	2.6
309.18924	0.8
327.20096	2.0
351.02307	0.7
353.21692	1.6
371.22717	14.4
411.25650	1.6
429.26904	1.3
459.28040	1.5
469.99982	0.8
503.37158	1.5
626.44141	1.1
627.46606	1.1
644.48889	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.9
55.01869	12.1
55.05515	31.6
57.03436	10.8
57.07069	7.6
59.04995	4.0
65.03940	5.2
67.05509	86.2
69.03417	5.8
69.07066	29.4
71.04999	5.7
71.08647	5.7
71.50014	5.1
79.05496	79.0
81.03400	4.6
81.07059	100.0
83.04971	13.9
83.08623	16.5
85.06543	6.1
87.04466	3.5
91.05484	58.5
93.07046	74.8
95.04971	11.1
95.08060	5.2
95.08617	59.8
96.03297	3.2
97.06506	7.5
97.10159	4.6
105.07034	54.0
107.04950	12.4
107.08604	45.6
109.06535	13.3
109.10153	41.2
111.08099	7.8
115.05447	4.1
117.06990	14.7
119.08584	32.0
119.96452	3.6
121.06501	17.9
121.10162	26.9
123.08089	7.0
123.11727	10.9
125.09635	3.5
129.07007	11.0
130.07805	3.4
131.08556	25.0
133.06508	10.3
133.10136	45.8
135.08073	9.8
135.11661	15.6
137.09616	3.6
137.13286	4.0
138.14131	2.8
139.07527	4.6
141.65097	3.0
143.08574	12.8
145.10138	19.1
147.08087	6.2
147.11707	12.6
149.09639	14.0
151.07544	3.7
151.11182	18.6
157.10086	6.4
159.08092	5.5
159.11705	11.8
161.09610	14.7
161.13297	7.5
163.11215	3.2
169.10153	3.9
169.12247	4.8
171.11751	9.1
173.09563	3.5
173.13307	4.4
173.68028	2.6
175.11139	4.6
177.09071	3.9
179.10626	2.7
183.11777	3.7
187.11240	3.6
187.14853	4.9
189.12759	5.9
199.14885	3.2
202.74820	2.6
203.14296	4.8
219.84758	2.6
223.13327	2.6
227.18025	3.4
245.19028	19.0
251.12784	4.5
253.14395	27.6
255.17404	5.1
261.22168	10.0
263.19986	13.8
273.18503	52.2
275.20178	3.1
291.19543	78.8
309.20593	5.6
329.82257	3.2
335.25787	51.8
347.22101	10.6
365.23239	37.7
531.36169	3.0
625.44641	41.1
631.71899	3.2
643.45496	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	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.8
55.01875	12.0
55.05511	30.3
57.03434	12.3
57.07067	4.3
59.05006	3.3
65.03944	5.4
66.03375	1.4
67.05504	91.1
69.03426	4.3
69.07066	29.7
69.14657	10.5
69.15083	5.0
71.04991	5.8
71.08634	3.5
74.20618	1.3
79.05492	79.1
81.03426	9.6
81.07053	100.0
83.04985	14.1
83.08627	15.4
85.06536	5.9
89.06039	2.7
91.05481	68.2
92.05830	1.5
93.07044	72.6
95.01333	1.6
95.04970	15.1
95.08606	64.1
97.06512	9.6
97.10158	7.8
99.08087	3.4
103.05467	2.2
104.06144	1.4
105.04567	3.2
105.07026	54.2
107.04957	12.7
107.07874	3.2
107.08593	47.2
109.02844	2.3
109.06519	10.7
109.10153	43.4
111.04431	2.0
111.08059	7.6
113.06039	1.7
115.05474	2.4
116.06200	2.2
117.07011	16.5
119.08575	33.3
119.09371	2.3
121.06485	11.1
121.10145	28.3
123.08064	9.9
123.11736	7.5
125.05942	2.1
125.09633	3.0
128.06296	2.3
129.07019	12.0
131.04933	1.8
131.08566	26.3
133.06494	12.2
133.10135	50.3
135.08041	14.4
135.11682	18.6
137.05995	1.8
137.09621	5.4
137.13237	1.7
139.07571	4.4
141.86980	1.4
142.07750	2.3
142.13481	1.4
143.08559	11.6
145.06468	1.9
145.10121	19.4
147.08022	9.3
147.11688	12.9
149.09595	11.5
149.13263	4.5
151.11180	19.7
153.12718	2.0
155.08539	3.4
157.06438	2.3
157.10133	9.2
159.08081	5.1
159.11668	9.7
161.09619	13.2
161.13232	7.1
163.11227	3.9
163.14822	2.1
165.09132	2.5
165.12764	1.3
169.10106	2.4
169.12268	4.2
171.10487	1.6
171.11679	8.4
173.09671	2.4
173.11874	1.9
173.13281	5.9
175.11134	7.9
175.14806	2.8
177.09123	3.7
177.12779	2.6
179.10718	2.1
181.10114	2.1
181.12215	2.2
183.11684	3.0
185.13295	5.0
187.11191	3.4
187.14813	1.5
189.12766	4.7
191.10616	1.7
193.12129	2.3
195.11789	2.3
197.11678	1.5
199.11206	2.8
199.14862	1.9
203.14322	3.0
213.12810	1.6
215.12700	2.4
217.12328	2.9
223.13417	2.0
227.18013	2.8
237.16406	2.5
241.19598	2.4
243.21054	2.8
245.19049	16.7
251.12799	7.0
253.14336	27.0
255.17400	6.0
259.20657	2.2
261.22131	6.8
263.20184	9.1
263.23520	1.4
271.15411	2.2
273.15500	2.0
273.18494	56.6
275.20105	3.7
291.19550	58.6
293.21045	2.3
309.20599	8.8
335.25800	58.0
347.22168	10.0
365.23212	41.5
417.85095	1.5
449.92191	1.5
457.40692	1.4
472.17261	1.6
513.35614	2.2
529.35175	2.5
531.36719	3.2
533.39313	2.4
551.40594	2.2
607.43298	3.0
625.44635	36.2
643.45917	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56839	1.1
54.90717	1.3
55.05507	2.0
56.84290	1.2
57.07078	37.1
58.61782	1.1
59.04988	2.2
67.05488	2.9
69.07059	6.0
69.42415	5.3
69.42829	3.1
71.08635	32.5
73.06562	9.9
73.44164	1.2
79.05453	2.8
81.07030	3.2
83.08630	7.5
83.09055	1.2
85.10181	22.8
87.04458	6.7
89.06031	100.0
91.07599	1.2
92.52209	1.3
93.07031	1.6
95.08582	2.4
97.10191	6.4
98.37243	1.3
99.11703	2.3
105.07007	1.7
107.07088	1.8
107.08617	2.2
107.16972	1.2
111.11710	4.3
113.13270	2.1
117.09121	9.0
125.13283	2.0
127.14822	1.5
130.08618	3.8
131.07005	4.2
131.39804	1.2
133.08604	54.8
141.16394	1.9
153.92839	1.1
161.11760	1.2
175.09631	2.3
177.11224	22.8
183.14969	1.1
184.30247	1.2
211.24165	3.6
211.26170	1.4
221.13870	4.4
239.14922	1.9
283.17465	2.1
299.29507	6.8
343.32114	3.5
415.25241	4.7
478.36990	1.5
625.48346	4.1
642.50873	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
53.78693	0.9
55.01871	8.9
55.05515	18.1
55.39353	0.8
57.03439	21.5
57.07074	4.7
58.53115	0.9
59.05003	3.6
62.20595	1.0
65.03946	6.2
67.05505	70.0
69.03426	1.9
69.07070	10.6
69.57801	1.0
71.04977	3.0
71.08627	2.4
76.65585	1.0
79.05494	44.3
81.03420	2.6
81.07059	47.5
83.04987	3.8
83.08636	5.7
85.06551	12.0
85.10185	2.4
89.32150	1.0
91.04910	1.8
91.05481	36.7
93.07048	41.9
94.04147	1.3
95.04973	52.6
95.08607	27.4
95.09097	0.9
97.06528	6.4
97.10162	2.9
99.08111	2.0
105.04540	1.1
105.07031	29.4
107.04948	7.9
107.08592	25.6
109.06519	63.3
109.10156	12.7
111.04448	1.4
111.08080	2.3
113.06008	30.0
115.05504	2.0
116.06178	1.4
117.07016	15.2
119.08585	17.0
121.06506	5.8
121.10134	12.2
123.08087	4.1
123.11679	2.3
125.09691	1.8
128.06229	2.3
129.07002	7.9
130.07811	1.1
131.08565	20.6
133.06497	3.6
133.10136	11.0
135.08057	48.3
135.11685	10.7
137.05954	1.2
137.09651	1.9
142.07802	1.4
143.08553	10.5
145.10126	11.6
147.08029	6.5
147.11728	5.1
149.09647	6.7
149.13275	3.8
151.11191	1.8
155.08546	2.0
157.10120	7.3
159.08041	2.9
159.11691	8.1
161.09651	8.2
161.13283	4.6
163.11177	4.2
165.09113	1.7
169.10124	1.7
171.11731	4.7
173.13287	4.5
175.11223	3.1
177.12791	2.4
181.10129	1.2
183.11667	1.8
185.13232	2.8
189.12778	1.8
193.12163	1.1
197.13226	1.2
199.11279	1.4
199.14819	4.2
201.12784	2.5
205.12120	1.1
213.12764	1.4
217.15883	15.8
223.13402	1.2
227.17998	1.4
233.15474	2.3
255.17435	3.2
261.22052	1.5
273.18515	33.6
275.20047	2.3
291.19550	100.0
309.20596	1.1
335.25790	45.2
336.26321	1.1
347.22198	5.6
365.23196	10.0
607.43512	5.2
625.44611	31.8
643.45959	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	642.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71161	0.5
53.00296	0.5
55.05511	3.1
57.03441	2.4
57.07077	100.0
59.05002	36.5
65.03944	0.7
67.05505	2.3
69.07065	3.4
69.85403	1.9
69.85819	1.5
71.08633	74.6
73.06564	0.6
75.75484	0.6
77.75770	0.6
79.05497	1.7
81.07079	2.1
83.08612	3.5
85.10185	59.7
87.04480	2.5
89.06030	17.8
91.05527	1.1
93.07076	1.8
95.04990	1.0
95.08604	2.9
97.10162	4.0
99.08153	0.7
99.11726	11.7
101.06064	0.9
101.09672	3.5
105.07061	1.0
107.08608	0.9
109.06550	0.6
109.10174	1.0
111.11714	0.8
113.13305	4.2
117.09138	14.1
117.09903	1.0
126.12858	0.6
129.06987	0.5
129.43094	0.6
131.08638	0.8
133.08600	15.1
133.10165	0.8
147.08087	0.6
149.94904	0.6
155.17943	10.1
175.09709	0.8
177.11183	3.0
191.12859	1.1
208.17093	1.3
213.22137	16.8
221.13844	1.0
239.14854	8.0
239.16985	0.7
254.24911	1.2
261.65027	0.6
271.26331	20.7
279.18381	0.9
291.19611	1.7
297.19077	3.8
329.30777	1.7
335.26144	0.8
355.23456	1.5
367.01019	0.7
379.93350	0.7
572.85370	0.8
625.44391	1.1
642.42157	1.2
642.51794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	8.6
57.03439	3.4
57.07079	100.0
59.05001	27.5
67.05506	11.2
69.07079	6.9
71.08633	91.0
71.50600	2.3
72.74512	1.4
72.93110	1.3
73.02921	50.0
76.42648	1.3
79.05147	1.1
79.05511	9.1
81.07054	13.4
82.07370	1.6
83.04940	1.6
83.08627	6.0
85.10184	65.8
87.04478	4.5
89.06037	15.5
91.05493	10.7
92.05832	1.4
93.07037	10.2
95.08611	6.0
97.06517	2.9
97.10172	5.1
99.11750	10.7
100.00896	1.3
103.07594	3.0
105.07030	5.5
107.08585	6.4
109.10187	2.9
110.10548	1.2
113.13274	4.1
117.07018	4.1
117.09101	7.7
119.08608	5.5
121.10150	3.1
123.08076	2.0
125.09635	1.8
131.08542	3.5
133.08601	9.7
133.10123	3.2
135.08054	1.8
135.11761	1.9
137.09625	1.6
142.07739	1.4
143.08643	1.7
145.10123	4.0
146.10577	2.1
147.11671	2.3
149.09583	1.3
155.17938	7.5
161.08099	1.6
161.09624	1.7
162.82076	1.5
169.10027	1.4
173.09648	11.4
174.10042	4.5
174.88446	1.3
177.11214	3.9
184.95164	1.3
189.11275	3.1
202.26218	1.5
205.10733	2.7
213.22151	13.6
215.43457	1.4
243.17445	1.4
243.23204	2.8
249.13449	1.8
261.18527	2.0
271.16818	2.1
271.26328	4.6
272.17133	2.3
287.45465	1.3
289.17993	5.3
327.20129	8.4
335.25763	3.3
336.26105	6.6
340.37643	1.4
355.19720	2.7
484.49042	1.4
577.37177	1.5
596.43378	1.8
624.43109	4.1
642.46094	5.5
643.25262	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	642.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
55.05509	3.5
57.03445	2.1
57.07079	100.0
59.04766	0.6
59.05003	38.5
67.05517	3.3
69.07063	4.1
71.08634	70.7
71.49914	0.9
79.05507	1.8
81.07058	3.8
83.08617	4.1
85.06583	1.0
85.10185	61.2
87.04485	2.9
89.06037	18.7
91.05505	1.8
93.07070	2.0
95.04967	0.8
95.08641	2.1
97.06536	1.1
97.10173	5.0
99.11745	12.2
101.06005	0.8
101.09679	2.6
103.07635	1.6
105.07071	1.9
106.09454	0.6
107.08588	1.2
111.11745	0.7
112.79768	0.6
113.13301	5.2
117.07097	0.8
117.09135	13.3
117.09908	0.9
119.08590	1.5
122.07477	0.7
130.08647	0.8
131.08595	1.1
133.08607	14.5
133.10190	1.2
135.11743	0.6
137.09641	0.8
137.62848	0.6
145.10248	0.8
147.10312	0.9
155.17979	8.7
158.11891	0.8
163.80566	0.6
165.09229	0.7
177.11229	3.7
185.13300	0.7
195.49725	0.6
202.30826	0.6
208.17056	0.8
213.22144	17.8
221.13887	1.7
239.14915	7.8
254.24815	0.9
271.26318	16.6
273.18475	0.7
291.19635	3.1
297.19037	3.8
329.30334	0.8
335.25992	0.9
336.25656	0.8
355.23471	1.5
423.28131	0.7
624.74774	0.7
625.44470	1.5
642.52081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75655	2.1
53.00290	2.7
53.03932	8.8
55.01869	13.0
55.05273	3.1
55.05513	44.1
57.03432	16.7
57.07072	11.6
59.04986	6.6
63.96433	2.4
65.03927	3.4
66.57211	2.0
67.04540	2.4
67.05504	99.6
68.99775	6.2
69.03415	5.1
69.07067	30.5
71.04979	5.2
71.08608	10.2
71.49590	3.4
72.67009	2.0
73.21127	2.6
77.03918	2.6
79.05493	82.0
80.37003	2.2
81.03395	7.3
81.07056	100.0
81.07534	5.7
83.04977	16.2
83.08624	22.9
85.06517	5.0
85.10175	5.2
89.06021	3.8
91.05483	74.5
93.07044	73.1
95.04986	16.6
95.08607	59.1
97.02840	2.3
97.06553	15.8
97.10142	10.5
99.08051	3.3
100.11236	9.2
103.05464	3.5
105.04542	3.8
105.07033	67.9
106.36654	2.2
107.04923	11.0
107.08597	52.9
109.06538	12.0
109.10160	36.2
111.04408	3.4
111.08068	11.3
113.06008	3.9
115.05446	5.4
117.07026	31.7
119.08588	55.6
121.06486	8.6
121.10131	24.7
122.72462	2.2
123.04402	3.0
123.08048	8.8
123.11680	7.0
125.05952	3.9
125.09634	8.8
128.06227	5.5
129.06984	21.7
130.07753	4.9
131.08566	48.7
133.06477	7.5
133.08591	3.3
133.10129	54.6
135.04410	3.1
135.08018	7.8
135.11702	15.4
137.09572	6.1
137.13226	2.7
139.07530	6.4
141.06964	8.1
142.07800	5.1
143.08574	26.5
144.09286	3.3
145.06516	4.5
145.10124	39.7
147.08025	8.6
147.11696	32.1
149.09613	9.4
149.13251	6.8
151.07480	3.2
151.11189	16.9
154.07823	2.5
155.08568	15.4
156.09296	2.6
157.06529	3.3
157.10109	23.8
159.08029	6.5
159.11694	34.7
161.09612	10.5
161.13234	15.4
163.07574	3.0
163.11191	6.3
163.14917	3.5
165.12755	2.4
167.08530	6.7
169.10106	17.4
171.08113	2.7
171.11668	23.1
173.09619	27.7
173.13220	22.6
175.11121	8.0
175.14803	6.0
177.12755	6.2
181.10262	5.2
183.11713	11.5
185.09637	4.7
185.13261	16.5
187.11154	5.0
187.14786	7.8
189.12688	3.8
191.10504	2.6
193.10144	3.7
195.11679	8.5
197.09578	2.2
197.13286	9.5
199.03876	2.8
199.11096	4.2
199.14815	10.0
201.16391	5.4
207.11626	6.0
209.13249	6.3
211.11223	4.0
211.14781	6.1
213.16350	6.7
215.12619	2.6
221.13261	2.8
223.14877	3.4
225.16386	5.4
227.18042	2.7
229.15916	3.2
229.19679	3.3
231.21133	3.3
235.14812	3.9
239.18170	2.6
241.19475	14.8
243.17464	5.4
245.18903	2.8
249.16402	4.3
253.13997	12.4
255.17590	3.2
257.18842	3.9
259.20551	21.0
261.18521	9.4
261.22040	3.2
263.20129	3.0
271.17194	12.6
271.19470	2.5
273.15710	2.2
273.18396	10.8
275.20056	5.8
277.21729	3.5
279.21063	2.4
287.20047	4.3
289.18008	25.0
290.09433	2.3
290.44955	2.2
291.19470	17.0
333.24298	17.3
335.25790	19.9
339.22913	2.8
363.21719	7.5
365.23245	15.5
391.30182	2.8
401.65872	2.5
406.42917	2.4
407.29001	3.3
409.31064	10.7
427.31921	3.1
469.32605	3.4
483.34357	6.7
487.34198	20.2
501.35825	24.6
503.37375	6.3
511.34070	4.8
513.36548	4.1
525.35760	3.9
529.35315	6.7
531.37915	9.7
543.36963	4.2
549.38940	11.1
567.39886	4.1
595.43372	7.1
605.41833	9.3
613.43939	4.6
623.42993	60.4
641.44250	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	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.8
55.01881	13.6
55.05513	39.6
57.03453	16.6
57.07086	14.9
59.04990	3.0
61.89000	2.4
65.03935	10.1
67.05508	98.1
69.03410	6.8
69.07070	32.9
70.16525	10.4
71.04984	10.3
71.08639	5.0
76.81191	2.4
78.37708	2.3
79.05496	90.6
81.03405	10.2
81.07056	100.0
83.04980	13.8
83.08624	23.2
85.06575	4.5
85.10180	5.5
89.06036	11.5
91.04906	4.4
91.05485	81.9
93.07045	94.5
95.04969	19.9
95.08611	63.7
97.02879	5.0
97.06522	14.4
97.10171	11.4
99.04455	4.6
99.08111	3.7
103.03957	5.1
103.05482	3.8
105.04527	5.0
105.07033	73.8
105.07700	5.0
107.04961	10.2
107.08599	55.1
109.06488	12.9
109.10162	39.7
111.04403	2.8
111.08102	8.3
117.07024	32.2
119.08591	50.8
121.06528	10.9
121.10135	25.4
123.08061	8.5
123.11702	6.1
125.09652	11.1
128.06259	7.2
129.06973	19.5
130.07826	2.7
131.08566	40.7
133.06491	6.4
133.08601	4.4
133.10133	46.6
135.08064	14.3
135.11699	18.6
137.06047	2.6
137.09601	8.5
141.06998	5.2
142.07793	4.2
143.08559	20.0
145.06432	3.6
145.10121	47.1
147.08037	10.5
147.11678	25.7
149.09644	5.4
149.13290	5.8
151.11174	11.1
153.12764	3.7
155.08586	8.4
157.10146	25.9
159.08075	11.6
159.11685	22.9
161.09608	6.7
161.13277	16.3
163.11186	14.5
167.08617	3.8
169.10150	11.3
171.11722	20.3
173.09636	12.5
173.13258	15.7
175.11148	5.6
175.14845	5.0
179.08562	3.9
181.10097	6.0
181.12242	3.6
183.11717	15.1
185.09564	4.0
185.13297	10.7
187.14835	6.9
189.11159	3.6
191.10664	2.8
195.11711	7.8
195.13577	3.0
197.13283	7.8
199.11156	3.4
199.14854	9.3
207.11702	3.4
209.11665	4.7
209.13429	5.4
211.14883	8.1
213.12790	3.1
221.13333	3.0
223.14917	3.8
225.16412	3.9
227.12788	5.6
227.17964	4.2
229.19379	4.3
235.14914	3.7
237.25040	3.1
239.18097	3.5
241.19455	11.3
243.17598	3.2
243.21277	3.1
253.14349	11.0
259.20654	20.9
261.22055	3.4
263.20013	4.0
271.17053	7.0
273.18491	12.5
275.20142	7.1
287.19989	3.0
289.17926	28.4
291.19437	19.3
307.18985	3.9
307.77765	2.6
315.23007	4.2
331.22571	3.1
333.24240	15.4
335.26007	19.0
336.25705	2.8
345.40274	2.9
353.24719	2.7
363.21732	6.4
365.23422	11.6
366.55460	3.0
384.60507	2.9
409.31100	7.1
448.18805	3.0
483.34488	4.9
487.34061	5.9
492.87512	3.0
501.35846	21.1
511.34387	2.8
513.36554	5.0
529.35822	5.8
531.38147	7.1
543.36908	27.7
549.39117	6.6
567.40430	4.3
581.27924	13.2
595.43372	4.5
605.41968	12.7
623.43060	58.1
623.59265	3.5
641.29187	3.5
641.44141	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	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
55.01870	21.6
55.05514	77.3
57.03447	16.8
57.07081	12.6
59.05006	5.4
65.03931	8.6
67.05508	100.0
68.34535	3.0
69.03413	11.7
69.06737	4.0
69.07073	52.8
71.04978	7.3
71.08634	5.5
79.05494	90.0
81.03403	12.2
81.06592	4.8
81.07059	95.3
83.04974	14.1
83.08156	3.0
83.08617	32.2
85.06526	3.0
89.06033	6.9
91.05483	88.4
93.07048	80.1
95.04979	17.4
95.08610	55.7
97.02898	8.2
97.06547	17.1
97.10176	42.1
98.20634	2.8
99.08051	2.4
101.71372	2.6
104.22929	2.3
105.04494	3.1
105.07037	79.4
107.04955	11.7
107.08598	54.3
109.06504	11.3
109.10165	29.1
109.30242	2.7
111.08076	8.1
115.05450	7.4
116.06190	2.9
117.07019	37.2
119.04905	3.1
119.08583	57.9
120.10100	2.1
121.06499	5.7
121.10149	31.6
121.96344	2.7
123.08057	8.3
123.11717	10.6
125.09646	31.0
128.06241	7.3
129.07008	30.9
130.07872	2.8
131.08580	50.8
133.06537	4.2
133.10133	47.4
135.08047	11.6
135.11740	17.9
137.09608	9.6
139.11143	2.9
141.06985	11.7
142.07762	5.8
143.08546	28.9
145.10117	40.7
147.08047	10.1
147.11694	35.3
149.09581	8.9
149.13258	9.0
150.06123	3.5
153.06969	2.7
153.09126	3.0
154.07872	3.0
155.07472	3.3
155.08537	18.2
156.09377	3.0
157.10117	25.8
159.08041	3.6
159.11690	31.7
161.05972	3.0
161.09671	7.5
161.13263	26.5
163.11153	6.3
165.07094	3.7
167.08577	7.4
169.10162	15.0
171.10265	4.0
171.11681	25.4
173.09589	5.4
173.13248	19.0
175.11214	5.6
175.14807	12.9
177.12762	5.6
181.10101	10.0
183.11710	16.2
185.13271	15.8
187.11089	3.2
187.14832	7.6
189.11217	17.1
189.12691	4.5
193.10193	6.4
194.10898	3.6
195.11728	10.8
197.13278	14.4
199.14809	11.2
203.14421	3.3
207.11703	4.6
209.13264	10.0
211.14832	7.3
213.16367	6.4
215.14485	3.3
215.17862	5.8
221.13335	4.1
223.13094	17.0
223.15144	5.2
225.16371	6.5
227.12778	31.0
231.20946	4.8
235.14758	3.0
237.16373	4.1
239.17966	6.8
241.19609	22.1
245.13754	2.6
259.20630	41.1
261.18423	3.2
271.17044	3.6
271.20282	2.8
273.18597	15.8
275.20175	14.5
277.21622	3.5
285.22098	7.6
289.17883	12.4
289.21432	2.8
291.19556	87.2
292.19760	4.2
301.21616	3.0
315.23325	6.4
333.24335	39.6
335.25934	5.2
363.21820	3.6
363.26578	5.9
365.23193	34.8
379.29993	7.6
381.27875	4.4
397.31110	4.9
437.30591	4.5
455.31012	3.2
511.34271	4.7
513.36499	5.9
525.35962	5.8
529.35065	9.2
531.37775	7.3
543.36365	3.8
549.39313	11.5
554.36456	3.0
567.40851	3.0
605.41620	19.9
623.43018	86.0
641.43951	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	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
63.91888	0.4
67.05497	1.5
69.03409	0.4
69.07067	0.6
69.23861	1.0
69.24281	2.1
79.05483	1.4
81.07059	1.9
83.05051	0.3
91.05471	1.1
93.07036	1.2
95.05012	0.5
95.08606	1.0
97.06553	0.3
97.10189	0.4
101.47314	0.3
105.07059	1.3
107.04997	0.3
107.08618	0.8
109.10118	0.5
119.08598	0.9
121.10096	0.4
125.09641	0.3
127.07331	0.4
129.07039	0.4
131.08591	0.7
133.10130	0.5
136.71294	0.3
145.10118	0.6
149.09621	0.3
159.11633	0.5
275.20148	0.9
291.19678	0.4
314.12582	0.4
318.59558	0.4
355.64618	0.3
377.17749	0.5
379.19379	1.0
389.17313	0.5
391.19385	1.4
392.20224	0.8
393.20828	1.7
404.20239	0.5
405.16339	1.9
405.21307	1.1
406.17914	1.3
406.22275	0.6
407.17874	0.5
407.22794	4.0
408.23389	0.4
409.23883	0.4
418.17853	0.5
419.18423	3.3
420.19281	1.8
421.20255	4.1
422.21118	0.5
423.21915	1.4
433.15744	0.3
433.20319	4.3
434.21365	3.3
435.22098	6.3
436.22571	1.2
447.22617	1.9
448.23489	0.5
449.19653	9.1
450.20291	0.4
461.23712	0.5
462.20248	0.8
463.21060	2.6
464.21866	2.0
467.24786	0.4
472.20236	0.3
477.22806	0.4
479.20374	0.8
480.21353	0.7
481.22339	2.3
493.22754	1.4
494.23141	2.7
495.23779	3.2
507.24319	1.6
509.25903	0.6
521.25751	9.8
523.27222	0.8
535.23560	0.5
539.23407	1.2
549.24902	0.7
550.26019	0.4
553.26941	1.0
563.26215	1.3
567.26172	0.4
581.27606	16.6
582.28064	1.0
595.26514	0.4
609.27246	0.6
613.31342	0.4
623.43176	0.6
641.29700	100.0
642.29663	2.9
657.41437	0.4
664.85645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05507	0.8
67.05505	1.6
69.07070	0.6
69.93045	1.4
74.51500	0.3
79.05500	1.2
81.03381	0.4
81.07059	1.7
81.37673	0.3
83.05017	0.3
83.08616	0.5
85.02909	0.5
91.05494	1.4
93.07056	1.0
95.08627	0.7
97.10191	0.5
105.07018	1.0
107.08598	0.9
108.68401	0.3
109.06560	0.4
109.10153	0.4
117.07034	0.5
119.08609	0.7
121.10102	0.4
125.09626	0.4
127.07281	0.5
131.08597	0.4
133.10170	0.7
137.33078	0.3
143.08594	0.4
145.10156	0.5
147.11720	0.4
159.11714	0.5
163.11214	0.3
173.13254	0.3
175.14906	0.4
188.69469	0.3
227.12848	0.5
275.20123	0.6
377.17679	0.8
379.19235	0.9
391.19312	1.2
392.20172	0.9
393.21039	2.1
395.22089	0.4
405.16699	1.9
405.21597	0.5
406.18045	1.3
407.18500	0.7
407.22714	4.5
408.23087	0.7
418.17957	0.9
419.18411	2.8
420.19238	2.1
421.20242	4.8
423.21497	1.5
433.20404	4.7
433.25418	0.4
434.21387	3.6
435.21948	6.8
436.22803	1.1
443.18039	0.4
447.22461	1.9
448.18802	0.5
449.19543	7.9
450.20197	0.6
452.70779	0.4
461.24316	0.4
462.20343	0.6
463.21069	3.3
464.22336	1.8
465.18799	0.6
467.24374	1.3
475.21210	0.4
477.23166	0.8
478.23804	0.4
479.20151	1.5
480.21561	0.4
481.22058	2.0
489.22934	0.4
491.24118	0.5
493.21594	2.1
494.23007	3.2
495.23840	3.1
506.22919	0.4
507.23843	1.6
509.25446	0.5
521.25720	10.6
522.26196	0.6
523.27533	0.4
535.23486	0.6
539.23279	1.1
549.24890	0.7
550.25861	0.4
553.24170	0.4
563.26367	1.2
567.26282	0.5
581.27637	18.5
582.27765	1.2
595.27979	0.6
602.28064	0.4
623.43433	0.8
633.20032	0.4
641.29688	100.0
642.29553	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	640.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01886	1.4
55.05513	6.3
57.03437	12.1
57.07079	47.9
59.05008	1.5
61.02925	1.3
67.05508	15.6
69.03417	3.4
69.07059	3.0
69.17845	10.6
69.18259	2.8
70.06607	1.5
71.04976	4.4
79.05501	7.4
81.03421	44.8
81.07062	11.8
82.03737	1.5
83.04977	3.9
83.08615	10.3
84.08108	1.5
85.02898	2.6
85.06567	1.3
89.06024	4.4
91.05473	11.9
93.07053	8.4
95.04967	14.0
95.08588	4.4
97.02890	2.3
97.06511	1.3
97.10188	1.4
103.07576	2.5
105.07057	10.1
107.04957	2.9
107.08594	4.3
109.06520	1.6
109.10152	9.3
111.04453	1.6
111.08071	4.3
117.07038	2.3
119.08603	7.5
121.10123	3.2
123.08064	1.2
127.10320	1.9
127.11201	20.7
129.06996	6.6
131.08574	4.4
133.06494	1.6
133.10129	2.4
135.11633	1.5
145.10155	2.1
145.12244	5.7
147.08022	1.7
147.11676	3.8
149.09586	3.2
149.13239	1.4
157.10162	3.8
163.11253	2.0
175.11150	5.6
193.12241	17.2
201.14870	100.0
211.13394	1.8
227.12711	1.4
267.15924	70.9
287.62198	1.2
301.14099	1.6
309.16806	1.4
393.26367	59.7
394.26312	1.3
411.27383	3.2
435.27322	2.2
472.72791	1.4
501.28851	1.5
608.34766	1.2
640.38251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.0
53.58791	1.4
53.77462	1.5
55.01857	3.0
55.05516	19.8
57.03444	8.0
65.03945	3.4
65.45847	1.2
67.05507	79.2
69.03159	1.4
69.03436	16.7
69.07072	18.0
70.06614	1.7
71.04995	40.5
71.24244	1.5
71.24581	2.0
71.99859	1.3
73.22583	1.4
79.05493	46.9
81.03420	44.4
81.07057	100.0
83.04992	12.7
83.08619	13.2
85.02894	5.8
85.06551	8.6
91.04915	2.2
91.05485	48.3
93.07049	48.9
95.04975	9.9
95.08605	26.6
96.61018	1.4
97.02890	11.9
97.06536	14.3
97.10162	2.0
99.04459	3.6
99.08091	3.3
105.04520	1.9
105.07034	20.8
107.04923	3.6
107.08595	32.6
109.02881	11.3
109.06514	4.4
109.10160	9.7
111.04450	6.2
111.08063	4.9
117.07030	10.6
119.08559	9.1
121.06524	3.9
121.10126	12.4
123.04400	3.1
123.08103	3.4
123.11729	10.1
127.03880	7.7
129.05493	1.8
129.06987	4.7
131.04942	1.9
131.08568	14.8
133.06476	3.4
133.10136	19.0
135.08115	3.1
135.11700	9.7
143.08545	2.6
145.06496	2.2
145.10144	2.0
147.04390	2.4
147.11714	8.4
149.09608	2.3
149.13264	20.2
151.11150	8.1
157.10112	3.4
159.11681	14.7
161.13249	2.9
165.12746	3.2
171.11644	2.1
173.04500	9.4
177.12732	8.4
183.13788	5.2
187.13290	11.0
193.12225	3.8
195.13853	15.0
197.13358	1.5
201.14806	3.5
213.14836	3.1
225.14848	1.6
227.12714	1.7
233.15283	1.6
243.15952	2.6
257.17545	2.0
267.15927	3.5
269.17545	8.0
283.19113	4.6
291.16367	1.5
303.16016	1.5
321.16986	2.9
339.17987	10.4
344.97864	1.6
377.19412	2.7
378.01312	1.4
391.28085	1.6
395.20731	5.4
402.71417	1.6
421.29822	3.5
427.23022	2.4
437.28986	23.1
451.30420	9.4
453.32422	2.4
463.30563	5.4
492.60754	2.0
495.32919	8.3
589.33667	2.5
607.34814	15.1
621.33856	2.1
639.37201	33.9
640.38104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.6
53.03943	8.7
55.01872	4.5
55.05510	17.9
57.03429	7.1
57.07053	1.8
57.56686	1.8
61.02906	1.7
65.03941	3.1
67.05507	67.9
68.08550	1.5
69.03425	18.4
69.07072	16.6
70.06644	1.9
71.04995	38.1
79.05489	41.3
81.03423	39.2
81.07060	100.0
83.04983	15.6
83.08630	12.7
85.02892	3.5
85.06535	6.7
91.05483	42.5
93.07043	49.4
95.04977	11.1
95.08615	24.7
97.02908	15.8
97.06500	9.0
97.10165	4.7
98.21521	4.6
99.04445	4.0
99.08111	4.3
105.04516	2.5
105.07027	26.0
107.04957	5.3
107.08598	28.9
108.91657	1.5
109.02879	13.5
109.06525	4.5
109.10149	10.3
111.04419	7.0
111.08095	5.6
113.06004	1.7
117.07029	8.6
119.04991	1.8
119.08560	9.0
120.16447	1.6
121.06477	4.8
121.10120	13.2
123.04402	3.2
123.08106	2.3
123.11687	10.8
125.06033	2.0
127.03897	7.2
129.07008	5.1
131.08571	13.6
133.06461	3.8
133.10132	20.3
135.08067	3.8
135.11678	10.5
143.08527	2.8
145.10141	2.4
147.08046	2.7
147.11703	9.2
149.13278	18.7
151.03935	1.8
151.11171	6.5
157.04860	1.9
157.10104	5.4
159.11700	13.5
161.13319	2.3
163.11194	2.8
165.12744	3.4
169.12225	2.1
171.06453	1.5
171.08195	1.9
171.11685	2.3
173.04454	6.7
175.11069	2.0
177.12723	8.2
183.13791	5.2
185.13251	1.7
187.13332	9.2
193.12242	4.7
195.13800	10.9
201.14886	4.2
207.11848	1.7
207.13794	1.9
213.14920	1.9
219.13866	1.8
225.14792	1.9
227.12717	2.4
228.97195	2.3
243.15906	1.6
253.18045	1.8
267.15964	3.4
269.17456	10.8
283.19034	3.8
285.14337	2.0
285.17142	2.2
301.20068	2.0
303.16046	2.3
321.16940	4.5
339.17831	8.2
347.25482	1.8
382.93637	1.9
395.20511	5.9
421.29337	3.5
435.16147	1.8
435.31357	2.3
437.28992	28.2
451.30399	7.0
453.31985	4.0
456.18201	1.6
459.27454	2.7
463.30496	6.5
495.32983	7.4
545.31360	1.8
563.31433	3.2
589.33429	2.4
607.34900	16.1
621.34180	1.8
639.27948	2.7
639.37421	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	637.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01865	7.1
55.05271	2.7
55.05514	29.4
57.03432	10.6
57.07056	6.3
58.68420	2.4
59.40661	2.6
65.03933	3.6
67.05509	62.9
69.03429	23.1
69.07077	18.1
71.04978	6.9
71.50270	4.7
73.02920	2.5
76.52791	2.7
79.05499	36.5
81.03421	41.9
81.07063	46.2
83.04971	18.4
83.08622	21.7
83.37455	2.6
85.02871	3.8
85.06535	3.5
85.45244	2.6
91.05486	31.8
93.07048	35.3
95.04974	13.5
95.08610	100.0
97.02910	14.0
97.06515	10.5
97.10163	5.0
99.04470	4.0
103.05426	4.4
105.07028	25.0
107.04964	5.0
107.08588	20.1
109.02887	6.9
109.06550	3.7
109.10181	16.8
111.04471	7.2
111.08083	5.0
115.05426	3.1
117.07014	9.6
119.08585	20.5
121.06557	3.3
121.10149	13.5
123.08038	9.0
123.11710	6.4
126.78824	2.6
127.03901	7.8
128.06184	3.2
129.05466	3.6
129.06972	6.9
131.08571	18.4
133.10097	9.9
135.08066	3.5
135.11665	7.0
141.09093	2.9
143.08566	13.1
145.06496	2.9
145.10115	7.8
147.11679	11.8
149.09714	2.7
149.13252	5.4
155.08592	4.1
157.08716	3.1
157.10144	6.2
159.10144	7.1
159.11716	8.2
161.13281	4.8
169.10141	6.5
171.11713	5.0
173.09540	4.1
173.13254	3.9
175.09639	10.4
175.11035	3.2
183.11687	3.9
184.07420	4.3
189.11160	3.1
197.11597	4.4
197.13309	3.1
208.66162	2.8
213.11211	7.7
215.12744	12.4
221.15266	2.8
222.92523	2.5
261.22128	4.5
263.23553	4.0
271.16794	4.5
302.68936	2.7
311.72430	3.0
335.25967	3.9
337.27225	10.1
351.23007	5.1
357.15350	4.0
359.16898	4.3
369.24292	9.1
401.80627	2.5
461.29510	3.1
475.34338	4.5
479.30475	3.2
487.36075	3.2
493.35294	3.4
601.36798	4.6
619.38574	15.8
637.40051	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	638.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.03942	0.6
55.01861	0.5
55.05237	0.4
55.05512	14.3
57.03423	1.6
57.07077	18.0
58.07402	0.4
59.04985	1.1
59.59868	0.3
65.03941	0.3
67.05506	10.2
69.07070	17.1
69.28089	2.3
71.04984	1.1
71.08633	14.3
73.06570	0.7
75.27766	0.3
79.05491	3.7
81.07058	13.2
83.04981	0.9
83.08621	18.0
85.06535	1.3
85.10185	7.6
87.04485	0.7
89.06028	1.3
91.05466	1.1
93.07047	5.7
94.83820	0.4
95.08609	13.4
97.06533	3.8
97.10175	6.2
98.06052	0.7
98.98457	1.3
101.06019	0.5
105.07021	0.5
107.08595	5.5
109.10154	6.8
111.08093	3.7
111.11707	0.4
115.07597	0.5
121.10147	2.5
123.11698	2.5
125.09650	1.2
125.13323	0.5
129.45862	0.3
133.08598	0.6
137.13232	0.8
149.13255	8.5
149.14401	0.6
155.01035	1.1
167.14336	5.6
169.12463	0.4
173.09480	0.5
185.15341	2.1
193.96161	0.3
202.15981	0.4
210.18558	0.6
220.45584	0.3
221.22717	0.3
225.47420	0.3
228.19589	4.6
239.23694	3.7
241.17999	18.0
259.19031	1.7
282.27930	1.2
299.03183	0.4
300.13644	0.9
313.27411	4.0
393.24036	0.5
436.28345	0.7
454.29285	0.5
479.40894	0.4
497.42014	100.0
498.42203	2.8
542.27429	0.4
638.42444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01869	2.4
55.05521	4.8
57.02019	0.9
57.03437	18.4
57.06793	1.2
57.07077	27.8
61.02929	53.0
61.04035	0.8
62.00537	0.7
67.05506	10.3
69.03086	1.4
69.03432	21.4
69.07072	6.5
69.37348	5.3
69.37766	1.3
69.51579	0.7
71.01347	3.0
71.04993	3.2
71.08630	21.4
73.02916	19.5
75.41816	0.8
75.42264	0.8
79.05489	3.4
79.08863	0.7
81.03420	18.9
81.07057	14.1
83.01336	1.1
83.04992	2.9
83.08619	8.7
85.02905	65.9
85.06502	1.0
85.10178	12.0
86.03158	0.8
87.04465	2.8
91.03957	38.5
91.05479	2.4
93.07048	3.4
95.04974	1.7
95.08608	17.6
97.02893	57.0
97.06511	0.9
97.10186	4.6
99.04454	8.3
101.02372	5.7
103.03954	6.2
103.07584	0.9
105.07039	2.0
107.08598	1.4
109.02872	11.3
109.06586	0.9
109.10175	8.5
111.04446	1.0
111.11687	1.0
115.03928	6.8
117.05476	2.0
117.07009	1.2
119.08557	1.6
121.10154	1.2
122.23966	0.7
123.04419	1.4
123.11692	3.4
124.08684	0.8
125.13283	0.9
127.03918	28.0
129.05481	4.7
133.10155	1.1
134.21011	0.8
135.11667	1.2
137.06021	1.6
137.13248	1.3
145.04959	14.1
145.10068	1.2
155.07024	0.9
155.08464	0.9
159.06540	3.5
162.59396	0.7
163.06038	4.6
168.35965	0.8
171.06493	1.7
183.06538	10.5
201.07588	7.9
219.08633	1.4
221.22711	1.4
239.23712	19.4
257.24750	3.2
271.17078	0.9
313.27359	100.0
314.27811	1.6
341.26941	4.6
349.16943	1.4
355.28464	4.0
383.27765	2.2
385.29489	1.8
397.29477	1.9
421.29672	2.1
439.30350	3.5
457.31641	11.5
475.32370	1.4
592.80005	0.9
637.39526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.0
55.01865	7.7
55.05318	2.9
55.05518	33.8
57.03424	14.8
57.07077	4.4
62.94102	3.1
67.05177	6.2
67.05506	68.3
69.03421	22.3
69.07059	20.8
70.07316	16.1
71.04980	9.7
79.05073	6.3
79.05496	83.8
79.86214	3.3
81.03423	37.9
81.06598	4.8
81.07061	89.6
83.04986	35.8
83.08609	17.5
85.02905	7.0
85.06522	4.2
86.09674	4.3
91.05489	70.2
93.06493	5.9
93.07047	85.9
95.04958	26.6
95.08616	39.0
97.02898	11.4
97.06536	11.1
97.10181	5.8
99.04465	5.7
100.47271	3.4
105.04542	4.2
105.07021	51.5
107.04959	14.4
107.08599	38.0
109.02901	9.4
109.06512	9.5
109.10169	10.4
111.04441	6.6
115.05362	3.8
117.07018	18.2
119.08590	27.9
121.06486	7.4
121.10139	21.8
123.04440	10.8
123.08086	6.8
123.11698	4.0
127.03927	6.2
128.06206	5.0
129.05505	7.4
129.06995	19.0
131.08572	20.5
133.06502	3.9
133.10120	17.0
135.11716	10.7
141.07054	3.7
143.08546	11.6
145.06476	6.4
145.10071	13.1
147.11687	27.2
149.05942	3.9
149.09599	3.6
149.13309	18.2
151.03897	7.5
156.09329	3.4
159.08044	5.1
159.11711	13.4
161.09579	4.2
161.13252	10.0
165.62802	3.2
169.10179	4.6
171.11696	16.1
189.12747	13.3
195.13849	8.7
207.13802	23.7
215.87793	3.4
225.14919	5.8
269.17651	21.0
281.17496	52.6
287.16449	7.2
296.07724	4.0
413.21869	6.2
425.21707	5.1
433.67404	4.2
475.24191	5.6
475.30615	100.0
485.28604	6.7
588.94861	3.8
605.45874	4.1
619.34515	27.6
637.33569	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	637.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92245	0.3
53.00319	0.4
53.03942	0.8
55.01880	1.1
55.05516	1.6
57.03425	0.3
61.09826	0.3
62.48510	0.3
67.05506	2.1
69.03421	0.9
69.07062	1.1
69.83324	1.7
70.06586	1.1
71.04979	0.5
74.55590	0.3
79.01852	4.5
79.05499	1.6
81.03419	1.8
81.07033	2.1
83.04968	0.5
83.08617	0.9
84.04478	0.4
84.08125	1.0
84.47806	0.3
85.02893	0.7
86.09691	1.2
89.06008	0.4
91.05501	2.4
93.07036	1.0
95.04947	1.3
95.08582	1.0
97.02898	0.9
97.06556	0.4
97.10183	0.4
100.11232	0.8
105.07017	1.2
107.04956	0.5
107.08570	0.9
109.02882	0.5
109.10175	0.9
111.04480	0.3
115.05468	0.4
117.07008	0.6
119.04913	2.0
119.08566	1.1
120.08146	0.4
121.02866	4.3
121.10139	1.0
123.00748	0.4
123.04365	0.7
125.09604	0.5
127.03919	0.3
129.03349	0.3
129.07033	0.5
131.04893	0.3
131.08591	1.0
133.10086	0.7
135.04446	0.3
135.08153	0.3
135.11655	0.7
137.02357	0.5
141.01794	1.0
145.02821	1.6
145.06464	0.8
145.10112	0.8
147.04408	2.5
147.11649	0.5
149.09569	0.5
153.01805	0.6
153.12740	0.3
157.02910	0.4
157.06459	0.7
163.03909	1.5
163.11267	0.8
165.01822	4.2
165.05508	0.3
165.09088	0.4
171.11801	0.4
175.03905	3.7
179.10684	0.4
182.15375	0.4
183.02873	2.7
184.07289	0.8
185.05928	0.5
193.12219	0.5
211.03792	0.4
211.13315	0.4
213.05463	3.8
215.12700	0.5
227.12820	0.8
229.14474	0.6
255.06512	0.7
259.06021	0.9
267.15912	0.6
271.06006	17.4
283.06006	100.0
284.06375	1.3
333.24454	0.4
346.69232	0.3
383.22055	0.4
421.26010	0.6
445.09317	1.8
475.26550	0.6
636.46545	0.4
637.15424	9.9
637.31091	1.0
638.16260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
57.03430	0.8
59.05003	20.1
61.02920	0.7
67.05500	0.6
69.03410	0.7
70.06593	7.1
70.67533	0.8
70.67903	0.7
71.04976	0.7
72.08155	2.2
73.02910	1.3
73.06548	1.8
79.05508	0.4
81.03395	0.6
81.07065	1.0
84.04490	0.9
84.08159	2.4
85.02905	1.1
85.06539	0.4
86.09714	4.0
87.04472	12.5
89.06031	100.0
90.71751	0.4
91.05486	1.1
93.07043	0.7
95.08589	0.7
97.06540	0.4
99.04465	0.5
101.06011	0.7
103.07568	3.2
105.07050	0.5
107.07064	1.8
109.10187	0.4
110.07156	0.8
117.09174	2.2
118.06858	0.6
119.04913	0.6
119.08566	0.5
120.08122	1.7
120.37214	0.4
129.10135	0.8
130.08693	0.8
131.07047	3.7
133.08604	62.9
134.08925	0.6
135.10187	0.5
136.07553	1.4
147.04387	0.6
147.10184	0.5
159.09187	0.9
161.11714	1.6
175.09702	2.0
177.05492	0.7
177.11230	22.0
179.12814	0.5
185.35968	0.4
191.12764	0.6
201.12331	0.4
221.13792	4.0
232.66034	0.4
239.14954	1.1
265.16400	0.9
283.05884	0.7
283.17499	1.6
309.18918	1.0
327.20184	0.7
371.22681	0.9
415.25140	0.7
459.27902	1.0
503.24167	0.5
503.30673	6.8
561.34766	1.0
567.74133	0.5
619.38281	1.0
636.33038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
57.03418	0.8
57.06800	0.9
57.07077	17.2
59.04983	0.9
64.64341	0.4
65.03942	0.6
67.05506	20.6
69.07071	9.3
69.55148	2.0
69.55578	0.6
70.92590	0.4
71.04988	2.4
71.05350	0.5
71.08636	12.4
72.08916	0.3
72.17959	0.3
73.02859	0.3
79.05497	4.5
81.07056	33.7
83.08616	5.9
84.08154	0.4
85.06549	5.7
85.10188	5.9
85.20972	0.4
89.06020	0.6
91.05487	2.7
93.07037	2.1
95.08610	37.9
96.08967	0.4
97.06533	1.2
97.10169	2.3
98.98472	0.8
99.08083	0.9
105.07021	2.3
107.08592	0.9
109.10172	4.2
111.11681	0.5
119.08559	2.4
121.10120	1.4
123.08089	0.7
123.11719	3.0
124.01571	0.4
135.11707	0.5
137.13287	1.8
147.11693	4.1
155.01053	0.8
164.44627	0.4
165.12756	2.5
180.11546	0.3
183.13817	1.2
189.39954	0.4
199.18022	0.4
201.14891	1.1
203.83812	0.4
208.16969	6.6
226.18030	6.7
233.17888	0.4
237.83269	0.4
239.23769	1.6
257.17493	1.5
282.27975	1.2
296.44537	0.4
306.14670	2.6
313.27304	2.9
324.15723	0.7
358.28601	0.4
362.17447	1.3
380.18329	5.1
387.14398	0.4
436.28137	0.5
495.40457	100.0
496.40582	2.7
618.41321	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	634.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.5
56.96592	0.3
57.03416	0.3
59.00446	0.3
67.05491	0.5
68.05015	0.9
69.07065	4.9
70.02962	0.4
70.06592	100.0
71.06911	0.5
71.49961	0.3
72.08159	0.8
81.03427	0.5
81.07066	0.6
81.35963	0.3
82.06580	0.4
84.04506	1.3
84.08143	2.4
85.02900	0.5
86.09707	31.3
89.06035	0.3
91.05480	4.0
95.04957	0.5
97.02878	0.7
97.07635	1.9
97.18522	0.3
98.06053	18.3
101.07132	0.5
102.05585	0.5
103.05474	1.2
104.05344	0.5
105.03398	0.4
105.07006	0.5
107.04980	0.6
109.02874	0.3
110.07183	0.4
112.07613	0.4
115.08702	2.5
116.07160	0.3
118.06546	7.2
119.04945	1.0
119.07321	1.8
120.08109	10.3
123.04431	1.1
125.07104	2.8
126.05515	9.6
129.10234	0.8
130.05038	0.6
130.06532	0.7
130.08672	1.5
131.04892	0.4
136.07578	5.8
139.03935	0.5
141.10173	0.4
144.08034	0.4
146.06006	12.5
147.04472	0.6
147.07697	0.6
148.07607	0.3
149.10818	0.4
151.12433	0.5
154.08598	1.6
162.05501	1.7
163.03873	0.4
164.07108	1.9
165.05513	1.1
165.10304	0.4
167.08464	0.4
167.11781	2.1
169.10257	0.4
170.09671	0.8
172.11208	17.0
174.05536	0.5
174.12816	0.7
177.10260	0.9
178.11046	1.1
182.08183	1.4
187.12393	0.9
188.14369	1.2
193.12173	1.2
195.11301	3.2
199.12341	0.6
204.13852	0.4
215.11847	1.0
215.13797	0.4
216.12581	4.0
216.14497	0.3
217.09726	1.0
217.13358	2.6
223.07605	1.1
225.11119	0.6
228.06560	0.3
231.14922	3.7
236.10651	2.5
243.11281	3.1
243.15048	0.8
245.09201	0.6
247.14523	0.7
256.00861	0.3
259.14444	6.1
260.16052	0.8
262.11743	1.7
265.08606	1.4
270.11169	1.4
275.13882	5.3
282.11218	2.8
287.13611	0.3
295.16660	1.0
296.17566	1.6
299.14044	0.8
309.12299	0.5
314.18768	0.3
321.14532	2.2
340.16519	3.1
356.19586	0.4
375.20380	1.2
383.19839	1.3
395.19699	1.4
412.22263	1.3
440.22083	1.5
468.21329	3.9
504.54086	0.4
509.27518	1.2
537.27081	10.7
538.27795	0.4
634.32373	59.0
635.32947	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.2
57.03421	4.1
57.07077	100.0
58.04214	14.7
59.04713	2.5
59.05003	45.0
60.04532	2.0
63.36122	1.8
67.05496	6.9
69.07068	6.3
71.05013	2.2
71.08632	97.6
72.05769	22.5
73.02914	10.6
73.06563	31.5
79.05486	4.6
81.03396	2.3
81.07066	10.8
83.08620	7.1
85.10184	84.5
86.07310	4.1
87.04473	42.6
88.05266	3.8
88.07618	3.0
89.06031	48.1
90.01921	65.1
91.05499	4.2
93.07034	5.3
95.08591	4.2
96.09392	3.2
97.10181	4.5
98.21532	4.1
99.11752	9.0
101.06016	5.0
103.07584	22.8
105.07023	4.0
107.07033	2.1
109.06546	2.6
109.10160	5.2
111.08113	2.1
116.08362	4.3
117.09145	22.2
121.10184	2.5
131.07063	5.3
131.10681	1.9
133.08601	22.6
133.10097	3.0
135.08040	2.1
137.06023	3.2
138.14024	5.1
141.16354	4.2
145.10130	2.1
147.10132	4.5
161.11768	7.3
169.15900	7.4
175.09615	2.7
177.11217	10.3
178.07121	8.4
178.14458	1.8
179.12776	3.8
194.13898	3.0
198.19777	5.6
199.20578	5.1
208.15541	4.8
209.13708	2.6
221.13824	4.8
222.09787	9.9
222.16988	6.8
223.15434	3.8
238.16542	3.2
241.15288	2.8
243.23299	5.7
252.18011	9.2
253.16425	5.0
256.41293	1.9
265.16498	1.9
266.12241	4.1
266.19559	8.2
268.17691	3.6
285.17728	4.0
296.20529	6.6
310.22195	9.1
324.11960	1.9
326.21988	5.2
333.98361	1.8
340.23352	5.0
348.31165	5.0
349.64197	2.0
356.22546	2.7
366.47641	1.8
392.33694	11.4
416.21170	3.2
436.36313	3.3
475.99811	2.0
480.38828	22.1
524.41565	2.4
540.41400	3.9
631.43201	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	629.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01875	2.3
55.05519	8.2
57.03429	5.3
57.07077	100.0
58.04214	6.6
59.04714	2.6
59.05003	46.4
67.05508	16.6
68.05844	2.8
69.07071	10.0
71.05009	2.3
71.08633	73.5
71.49917	1.6
71.50281	1.7
72.05780	4.1
73.02905	3.8
73.06553	5.4
74.89029	1.2
79.05489	8.7
80.05848	1.3
81.03401	1.9
81.07055	15.7
82.07388	2.9
82.07832	1.5
83.04961	1.5
83.08617	4.8
85.10186	62.2
86.07333	2.2
87.04470	6.9
87.08109	2.1
88.05239	1.6
89.06023	10.5
90.01914	19.4
91.05466	6.9
92.05795	2.5
93.07049	7.0
94.07384	2.8
95.04989	1.8
95.08606	10.9
96.08887	1.8
97.05937	1.3
97.06531	4.9
97.10168	4.7
99.08099	1.5
99.11726	10.4
101.06014	2.4
101.09666	3.7
103.07581	4.3
105.07045	10.3
106.07362	3.2
107.04982	2.6
107.08605	4.7
109.06551	2.0
109.10147	3.7
110.10480	1.7
111.11731	1.5
113.13286	4.5
115.07590	1.7
116.08338	2.0
117.07037	1.8
117.09145	14.7
119.08574	5.2
120.08936	1.7
121.10153	2.4
125.09575	1.8
125.13387	1.5
131.08594	2.6
133.08586	3.8
133.10118	4.6
134.10500	2.1
135.11711	1.9
145.10159	2.6
145.12173	2.0
146.10477	1.5
147.11639	1.7
152.15598	1.6
155.17943	6.6
159.11684	2.9
161.13280	1.7
178.07115	2.4
179.12776	2.0
183.17467	3.3
208.15430	1.9
210.91855	1.5
212.21350	1.4
213.22150	9.7
222.09758	2.5
259.72702	1.3
266.79764	1.6
271.26382	9.6
275.20032	5.5
275.84885	1.5
276.20493	4.2
277.20450	2.1
278.99915	1.2
284.13486	3.2
284.64264	1.3
291.19669	1.6
335.25641	3.9
336.26126	4.2
337.26624	2.9
350.23917	2.8
374.75122	1.6
478.41196	6.9
550.22852	1.6
611.46198	7.7
629.46844	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
57.03423	1.7
58.56909	1.4
68.99788	12.4
70.74403	2.7
72.59199	1.2
81.03400	5.3
84.08189	1.3
85.02902	9.0
86.38379	1.2
93.03391	2.1
97.02853	4.1
98.80074	1.3
107.04955	3.8
109.02871	3.3
110.19658	1.3
111.04444	3.7
117.06969	1.2
119.04932	2.0
121.02849	5.0
123.04415	5.1
127.03892	2.4
133.06442	1.7
135.04376	4.5
137.02348	100.0
137.03397	6.5
139.03871	3.8
144.08086	6.5
145.04956	1.9
147.04404	4.7
149.02306	1.4
151.03917	5.6
153.01801	4.2
159.04388	3.3
161.02336	1.7
161.05974	2.3
163.03969	6.9
165.01837	6.6
165.05531	1.6
173.02365	1.4
175.00273	1.5
175.03923	5.5
177.01845	6.4
177.05389	2.9
179.03406	16.4
181.04895	1.6
183.02841	2.0
185.05942	1.3
187.03874	5.5
189.01816	4.0
189.05435	3.2
191.03383	5.5
193.05028	2.0
195.02872	12.5
197.04504	1.5
201.01790	3.2
201.05479	2.9
203.03416	4.5
203.07014	2.0
205.01265	1.3
205.05011	7.0
207.02908	8.0
213.05391	2.5
215.03331	2.5
217.04916	8.4
219.02863	12.0
219.52359	1.2
225.03842	2.1
227.03404	1.6
229.04936	4.8
231.02905	11.5
231.06516	5.6
233.04430	3.9
235.05992	3.4
237.03969	3.1
241.04927	3.0
243.02901	5.9
245.04402	1.6
247.06007	5.6
249.03947	4.1
253.04794	2.0
255.02901	2.0
255.06728	1.3
257.04550	2.4
259.06030	6.0
261.03949	13.9
271.05981	5.5
273.03958	6.8
275.05301	1.6
279.04968	3.4
283.05869	2.3
285.03983	6.6
289.06689	1.6
291.04935	5.2
297.06244	3.5
299.05411	6.0
301.06985	1.8
303.04984	8.0
304.05362	2.7
305.05716	4.0
310.04755	1.4
311.05463	7.5
313.06915	1.7
315.04880	1.9
316.08792	1.2
321.06042	3.5
323.05475	5.6
325.06885	2.5
327.04971	4.6
329.06561	4.7
339.07358	9.3
341.06552	5.3
345.06116	4.2
347.07608	1.9
351.04910	1.4
353.06546	10.7
361.08923	1.3
363.07251	6.0
365.06421	4.0
371.07480	5.5
375.06940	1.7
377.06363	2.2
379.10114	1.3
383.07474	3.5
387.07129	2.1
393.08160	4.8
395.07535	7.3
405.08139	4.6
407.07529	5.1
413.08627	2.5
419.07507	2.5
423.09344	6.6
425.08731	8.9
431.09857	5.7
437.08688	4.1
441.10443	7.6
443.09595	4.1
447.59265	1.4
449.09610	5.5
455.09497	4.9
461.09616	4.6
473.10867	14.6
479.09866	3.7
491.11920	5.9
497.10614	5.0
509.10605	3.3
515.11798	3.4
527.11823	8.2
539.11615	3.7
557.12335	2.3
575.14008	3.4
593.14661	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	628.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05513	7.2
56.05842	1.4
57.03430	4.3
57.07078	100.0
59.05003	57.4
67.05508	12.8
68.05837	1.5
69.07095	5.6
69.07388	1.0
71.08633	99.7
71.25307	1.0
79.05493	10.4
79.23826	1.2
79.80524	1.3
80.05817	1.4
81.07051	10.0
82.07387	1.7
83.04950	1.3
83.08613	4.9
85.06498	1.2
85.10185	99.8
87.04460	4.3
89.06036	28.7
91.05505	7.0
93.07034	10.3
95.08631	6.0
96.08945	1.8
97.06536	1.8
97.10161	4.4
99.11738	13.9
101.09642	5.4
103.07586	3.6
105.07045	7.5
107.07946	1.3
107.08578	6.8
108.08934	2.1
109.10160	3.6
117.07066	2.1
117.08385	2.0
117.09138	20.0
119.08581	4.3
121.10181	2.8
122.74625	1.1
123.11649	1.2
125.09591	2.9
131.08582	2.1
132.08936	1.4
133.08612	24.8
133.10143	5.1
136.12051	1.1
141.16382	11.4
145.10126	3.3
146.10483	1.5
147.11743	2.3
149.09636	2.2
157.10135	2.0
159.11693	2.3
161.13336	1.2
173.13214	2.0
174.13667	1.1
177.11263	6.0
185.13478	1.3
191.12796	1.9
199.20596	24.5
199.73230	1.2
221.13777	2.2
227.12779	1.8
239.14940	9.1
241.19635	1.2
257.24780	28.9
275.20111	3.8
276.20480	1.9
279.18137	2.3
297.19080	5.7
315.28925	3.0
335.25723	2.0
336.26044	2.7
337.22104	1.4
342.13425	1.1
349.23230	1.3
350.24203	1.4
355.23172	2.0
518.40900	1.8
610.45282	8.8
628.46478	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01873	13.9
55.05512	29.0
57.03429	7.8
57.07080	18.3
59.05004	5.4
64.26305	1.5
65.03942	5.5
67.05508	77.1
69.03441	2.2
69.07069	28.9
70.32747	1.6
71.04993	5.1
71.08632	15.1
79.05497	69.9
79.79295	1.5
81.03434	2.7
81.07059	100.0
83.04989	7.3
83.08629	17.6
85.06523	2.6
85.10197	12.0
87.04471	3.0
89.06038	14.9
91.05479	49.2
93.07051	65.0
93.07639	3.3
95.04974	10.0
95.08610	51.0
97.06535	15.6
97.10168	7.1
98.20784	5.4
99.08078	1.8
105.04528	2.6
105.07040	46.4
107.04961	7.3
107.08591	36.4
109.06513	13.1
109.10179	23.0
111.08083	6.6
115.05411	1.9
117.07042	15.2
119.08584	39.6
121.06512	3.7
121.10143	29.1
123.08075	6.3
123.11715	11.5
125.09629	4.7
128.06190	1.7
129.07016	5.6
131.08574	27.0
133.06483	2.3
133.08640	7.6
133.10132	28.6
135.08060	3.7
135.11707	17.5
137.09673	3.6
139.11154	2.0
141.07008	2.1
141.16315	1.7
143.08571	7.0
145.10129	21.7
147.08023	2.4
147.11699	28.1
149.09647	13.3
149.13304	11.5
151.11195	4.7
153.12782	2.0
155.08600	4.6
157.10120	5.9
159.08044	2.0
159.11717	14.5
161.09680	1.9
161.13255	9.0
163.11185	7.6
163.14838	3.5
165.12743	6.9
169.10173	3.9
171.11685	7.0
173.13228	11.4
175.14864	4.5
177.11304	2.6
177.12758	2.7
179.14339	2.5
183.11684	6.0
185.13319	3.4
187.14827	3.5
189.11298	2.1
194.02568	1.7
199.14908	2.2
199.20573	2.3
201.16432	3.4
209.13336	2.2
215.17972	2.7
219.13858	1.8
219.17213	1.8
227.12732	3.2
229.19470	4.3
239.18105	2.8
241.19637	1.8
243.20996	1.7
247.20538	4.3
257.19037	9.8
261.22208	6.4
265.21863	1.7
267.15820	2.2
275.20071	56.3
277.21722	4.5
293.21191	4.8
317.24640	3.0
335.25879	25.8
349.23688	23.9
367.30243	2.0
515.37274	4.2
517.40222	2.5
529.39185	2.6
535.41193	3.7
553.42957	2.7
609.44958	25.4
627.46368	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	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01876	17.7
55.05510	43.2
57.03425	8.9
57.07068	3.5
58.23495	1.9
58.65157	2.1
65.03925	6.1
67.05506	100.0
69.03429	3.9
69.07070	36.8
69.27710	19.9
69.67490	1.9
71.04996	7.7
71.08628	4.2
77.03921	3.5
79.05493	87.9
81.03399	4.3
81.07054	99.8
83.04987	7.5
83.08621	19.3
85.06541	3.2
91.05479	65.0
93.07046	76.8
93.07646	4.1
95.04945	13.2
95.08606	62.4
97.06541	18.3
97.10184	12.8
99.08099	4.2
105.04502	4.4
105.07033	62.2
107.04972	12.1
107.08590	51.3
109.06509	10.5
109.10149	32.7
111.08089	5.6
115.05467	3.9
117.07005	19.6
119.08574	42.9
121.10135	34.5
123.08074	4.8
123.11701	12.6
125.09621	10.6
129.06970	11.4
131.08560	32.3
132.15988	2.2
133.10136	32.6
135.08040	6.9
135.11687	23.4
137.09619	5.2
137.13272	3.6
139.11127	3.5
141.06946	3.1
143.08586	12.1
145.10127	36.0
147.11678	27.9
149.09637	19.5
149.13283	12.3
151.11113	2.9
152.32367	2.1
155.08528	6.5
156.09332	2.3
157.10138	14.4
159.11681	23.6
160.96614	2.2
161.13260	14.8
163.11131	11.2
163.14877	2.9
165.12740	4.8
169.10182	7.7
171.11687	13.4
173.11853	4.7
173.13257	13.5
175.11143	3.3
175.14816	3.4
177.12743	2.2
181.10231	3.4
183.11711	5.8
185.13252	7.9
187.11226	2.7
187.14796	5.3
189.11214	6.4
191.14310	3.7
193.12183	2.5
195.11737	3.8
197.13275	7.4
199.14833	5.0
201.16426	3.3
209.13318	3.5
211.14867	3.2
213.16470	4.7
215.17882	2.5
223.58401	2.2
225.16457	2.5
227.12772	10.5
227.55322	2.4
229.19489	4.2
231.21150	3.0
237.16411	3.7
239.17935	5.6
243.15965	2.4
257.18967	12.2
259.20676	5.8
261.22122	7.0
267.15918	2.4
275.20071	67.6
285.22372	3.0
293.21106	7.3
315.23126	2.2
333.24231	3.8
335.25845	29.1
349.23758	20.6
367.29581	2.8
385.31506	2.8
499.37885	2.8
508.81961	2.0
515.37427	4.2
517.40808	4.9
535.40662	5.0
553.42480	4.5
557.38342	2.4
609.27179	2.2
609.36182	3.8
609.45190	49.5
627.46283	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
55.01881	22.0
55.05269	1.8
55.05514	23.7
56.40815	1.1
56.90373	1.3
57.03446	11.3
57.07076	7.6
58.54345	1.2
59.04990	1.6
59.45326	1.4
59.46112	1.3
60.38808	1.1
63.11746	1.3
65.03944	6.6
67.05511	70.6
69.03419	2.0
69.07072	37.1
71.04997	3.2
71.08638	3.0
73.02883	1.8
77.03946	1.4
78.37179	1.1
79.05498	59.9
81.03412	8.4
81.07060	81.7
83.04981	8.8
83.08619	9.8
83.09044	1.5
85.06535	3.0
85.10178	3.6
91.04909	2.1
91.05488	57.9
93.07050	55.9
95.01325	4.8
95.04978	13.7
95.08614	58.9
97.06539	32.5
97.10165	4.8
99.08051	1.8
103.05444	1.5
105.04510	2.8
105.07040	68.8
107.04961	18.8
107.08604	30.1
108.33338	1.3
109.06528	7.2
109.10164	19.8
111.08059	3.4
115.05452	1.8
117.07021	15.6
119.08588	39.8
121.06514	5.4
121.10146	17.6
123.08053	6.3
123.11730	6.9
125.09623	3.1
129.07001	4.5
130.07802	1.3
131.08583	23.2
133.10138	38.9
135.08080	6.4
135.11691	11.5
137.09613	5.0
141.06975	2.4
143.08566	3.0
145.06496	3.2
145.10127	16.7
147.08035	2.1
147.11693	16.9
149.09598	7.2
149.13268	7.3
151.11153	3.2
155.08418	2.2
157.10155	3.8
159.11684	11.5
161.13249	6.6
163.11147	4.9
163.14737	2.9
165.09125	3.5
165.12613	1.3
165.22441	1.2
169.10040	1.8
171.11597	2.1
173.13245	6.8
175.11250	1.5
175.14926	1.6
177.12720	1.9
179.10695	1.4
179.14290	9.6
183.11607	2.1
185.13257	1.9
187.11198	1.8
187.14728	2.4
189.12950	1.4
193.12216	1.4
197.13283	1.7
201.16377	1.6
205.12288	1.7
212.34428	1.4
219.17455	5.2
229.19510	3.3
239.17918	2.8
247.20558	3.9
257.18991	6.7
261.22183	3.0
275.20090	100.0
291.19547	3.1
293.21127	9.9
317.24640	1.8
335.25815	82.4
336.26462	1.7
349.23697	21.3
485.36194	1.6
609.45148	63.9
627.46362	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	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01878	22.0
55.05515	40.1
57.03444	9.9
57.07073	5.6
59.04992	4.1
62.85553	1.5
65.03932	4.7
67.05508	85.3
69.03401	3.9
69.07074	30.4
69.45417	6.5
69.45844	4.4
71.05003	8.0
71.08630	3.5
79.05499	91.6
81.03412	5.3
81.07060	65.6
83.04990	16.6
83.08628	10.9
85.10175	2.0
86.98214	1.5
91.05486	62.2
93.07052	69.8
93.07648	3.5
95.04967	12.8
95.08611	50.2
97.06541	31.1
97.10166	8.9
105.04539	2.5
105.07040	60.2
107.04966	24.7
107.08598	49.2
109.06528	5.6
109.10168	29.6
111.08080	3.9
115.05410	1.6
117.07014	18.7
119.08595	33.9
121.06496	4.2
121.09313	2.6
121.10155	27.5
121.11026	1.9
123.08062	3.8
123.11697	5.9
125.09641	9.6
128.06262	1.8
129.07033	6.5
131.08575	24.9
133.10141	27.2
135.08064	7.6
135.11694	11.2
137.09622	4.7
139.07576	2.7
143.08569	4.9
144.92265	1.9
145.10143	17.8
147.11684	17.1
149.09630	34.9
149.13277	7.0
151.11195	2.9
155.08568	2.4
157.10135	4.6
159.11719	17.6
161.09647	2.3
161.13286	8.9
162.99449	1.8
163.11182	5.2
163.14803	3.6
165.09169	2.0
169.10120	3.9
169.12289	3.7
171.10257	1.5
171.11694	4.5
173.11848	3.5
173.13290	7.8
175.14819	1.9
177.12825	2.1
179.14330	5.2
183.11713	1.9
185.13313	2.4
187.11220	3.4
187.13248	2.4
187.14847	3.9
189.11209	4.9
189.12747	2.2
197.13135	1.8
209.15446	4.9
214.48428	1.6
215.18086	1.9
218.32585	1.5
219.17479	3.6
227.12785	6.9
229.19513	5.0
239.18024	3.1
243.21085	2.6
247.20596	2.3
257.19006	10.6
261.22076	4.4
263.04965	1.6
275.20078	100.0
277.21384	1.7
289.05640	1.5
291.19507	2.5
293.21054	5.0
317.24872	2.6
331.40540	1.5
335.25827	55.4
339.47192	1.7
349.23721	28.2
431.25769	1.8
609.45239	61.0
610.44360	1.8
627.46307	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03952	7.7
55.01639	1.9
55.01876	22.8
55.05270	2.3
55.05511	29.8
57.03425	10.8
57.07061	4.3
59.04989	1.9
65.03918	5.9
67.05506	84.9
69.03435	3.9
69.07070	30.9
69.54364	3.5
69.54770	6.2
71.04970	5.2
71.08616	1.9
79.05494	67.7
81.03407	5.0
81.07057	100.0
83.04996	8.6
83.08627	12.5
85.06521	3.9
86.28794	1.6
91.05482	69.4
93.07047	65.3
93.07639	3.0
95.01325	2.8
95.04963	13.2
95.08608	61.7
97.05922	2.5
97.06526	33.4
97.10157	5.3
99.08100	3.0
103.05441	2.3
105.04510	2.2
105.07034	67.7
107.04959	19.1
107.08590	39.7
109.06528	8.0
109.10140	22.7
111.08074	4.2
115.05447	1.9
117.07014	20.1
119.08588	40.3
121.06486	4.7
121.10138	26.4
123.04427	2.3
123.08076	7.4
123.11670	7.0
125.09613	4.4
129.07005	4.8
131.08568	26.7
133.10138	37.1
135.08032	6.1
135.11702	16.0
137.09583	4.8
137.13251	1.7
139.07498	2.3
143.08534	8.6
145.09061	2.0
145.10121	19.1
147.11690	18.5
149.09627	12.0
149.13264	5.3
151.11154	6.5
155.08551	2.2
157.10097	8.5
159.11691	13.7
161.09566	3.6
161.13210	7.4
163.11185	8.3
163.14877	3.0
165.09119	2.0
165.12791	2.8
169.10135	3.7
171.11667	5.4
173.13280	8.5
175.11171	1.9
175.14851	3.2
177.12679	2.3
177.16394	1.8
179.14333	7.0
183.11697	3.1
185.13182	3.5
187.14899	4.1
197.13249	3.3
201.16441	1.9
213.16440	2.2
219.17422	9.7
221.92165	1.5
229.19415	1.9
239.17874	2.6
247.20503	4.6
253.14381	3.0
257.19077	8.7
261.22186	3.5
267.16068	2.1
275.20068	69.8
277.21643	1.9
293.20966	6.1
329.06543	1.7
335.22037	3.0
335.25778	38.4
347.21829	2.0
349.23788	17.3
389.70599	1.5
515.37329	1.9
529.38660	3.6
537.24689	1.9
566.88489	1.8
609.45209	38.0
610.45428	2.3
627.46130	18.8
656.34247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.281
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.29420	0.3
67.05509	0.5
69.45074	0.6
69.45486	1.8
70.06572	0.4
79.05476	0.4
81.07047	0.4
95.08567	0.4
105.07023	0.4
121.10184	0.3
133.10181	0.4
145.10143	0.3
163.65700	0.3
198.32608	0.3
271.05423	0.3
328.14511	0.4
338.05399	0.3
377.17996	0.8
379.19165	0.8
391.19363	0.8
392.20093	0.4
393.20932	2.1
394.21655	0.5
395.22397	0.4
405.16660	2.1
405.21674	0.6
406.17950	1.1
406.22308	0.5
407.17838	0.5
407.22775	3.6
408.23199	0.7
419.18585	3.2
420.19321	2.1
421.20419	3.6
422.21164	0.8
423.21777	1.0
433.20239	4.0
434.21210	4.0
435.21854	6.0
436.22678	1.2
437.23596	0.6
447.22043	1.1
448.18872	0.5
449.19492	5.9
450.20169	0.6
451.21115	0.6
461.23889	0.5
462.20511	0.6
463.21045	2.5
464.22116	1.7
465.18381	0.5
466.23657	0.4
467.24484	1.0
477.21887	0.3
479.20981	1.6
480.21399	0.6
481.22171	2.5
493.22351	1.4
494.23145	2.7
495.23660	2.7
507.24170	10.9
509.25485	0.6
521.21661	0.4
523.99664	0.4
526.26385	0.5
535.23450	0.4
536.23114	0.4
539.22217	1.8
549.24792	1.3
551.22906	0.5
553.24567	0.5
567.26135	16.8
568.26740	0.6
581.24152	0.9
599.28839	0.4
609.26947	0.6
627.28125	100.0
628.28363	2.6
639.91602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05515	1.0
63.25517	0.7
67.05496	1.2
67.41572	0.6
71.49172	0.8
71.49607	0.9
72.19239	0.5
79.05495	1.0
81.07037	0.6
81.64474	0.5
93.07033	1.0
95.08611	0.9
96.28594	0.7
109.10133	0.6
123.04456	0.6
168.18141	0.6
251.11931	0.7
354.16171	0.7
391.19232	0.9
405.16406	0.7
405.21237	1.1
419.18625	2.6
421.24356	0.8
432.15021	0.8
433.20514	3.1
434.21082	1.4
435.22046	1.1
445.20319	0.8
447.17468	1.1
447.22629	1.5
448.22830	1.2
449.23697	1.1
461.19501	11.0
461.24771	0.7
462.20334	2.9
463.21100	1.0
465.19275	2.3
467.24487	1.9
475.21323	0.8
476.22409	2.8
477.23068	3.5
479.20905	1.7
480.21271	1.0
493.22333	2.4
494.22778	4.3
495.23837	1.9
521.22443	0.9
526.25519	0.7
534.22656	2.2
535.23425	2.6
549.24884	5.8
567.26050	10.3
594.24780	3.2
609.26971	4.4
612.24884	0.6
623.62988	0.7
627.28094	100.0
628.28168	2.2
628.64453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.281
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
57.05246	0.5
59.39184	0.4
64.87857	0.4
67.05492	0.7
71.49268	0.7
79.05510	1.2
80.67068	0.4
81.07074	0.8
91.05492	0.7
92.96265	0.4
93.07047	1.0
95.08591	0.4
97.10232	0.5
109.10109	0.4
119.08580	0.6
127.05801	0.5
131.08528	0.6
184.07455	0.7
218.22507	0.5
226.98553	0.5
237.10283	0.7
277.67990	0.5
286.01379	0.4
295.82837	0.5
342.16022	0.5
344.38629	0.5
356.17612	0.6
389.17905	0.5
405.16556	0.5
405.21185	1.2
406.21722	0.8
417.17010	0.6
418.17847	1.4
419.18381	2.3
420.23615	0.7
432.19754	0.5
433.20587	2.4
434.20663	1.3
435.21884	1.0
437.19318	0.5
446.16953	1.2
447.17899	1.6
447.22498	0.8
447.27283	0.5
448.22818	0.9
449.23944	0.7
459.22165	0.5
461.19595	10.7
462.20627	3.7
463.21283	1.0
465.18454	2.4
467.24451	1.7
475.21237	1.1
476.21994	1.9
477.23294	2.5
478.20908	0.5
479.20682	0.6
480.21579	1.6
493.22299	1.9
494.22763	4.7
495.23651	0.7
507.24066	0.6
508.24503	1.0
510.26251	0.6
519.20795	0.7
521.22101	2.0
525.66040	0.5
534.22589	1.8
535.23376	1.5
539.23456	0.7
549.25116	5.0
551.22772	0.7
565.20648	0.6
566.25995	0.5
567.26093	8.0
579.22540	0.8
583.23883	0.5
592.26324	0.6
594.25220	2.6
609.26740	2.5
627.28003	100.0
628.28687	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	627.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01863	0.7
57.03417	0.5
65.03912	0.5
65.09081	0.4
68.99777	0.7
69.03416	0.5
69.70157	2.6
70.06583	1.9
79.05488	2.1
81.03404	1.2
81.07067	0.6
84.08138	0.7
85.02922	2.1
86.09702	1.2
87.63677	0.4
91.05492	0.9
91.08189	0.4
95.04960	1.3
97.02905	0.5
105.07032	0.9
107.04939	2.6
107.08585	0.6
108.37530	0.4
109.02881	1.4
119.04955	3.2
120.08091	0.6
121.02866	8.8
123.04408	1.1
129.10220	0.5
131.04915	0.5
133.02817	0.5
135.04359	0.9
137.02361	2.6
138.03120	3.4
139.04015	0.4
141.01857	1.0
145.02817	3.5
147.04381	0.7
149.02310	2.1
153.05464	71.3
154.05849	0.5
159.04402	0.5
163.03918	3.2
165.01825	12.7
167.03397	3.0
167.37672	0.5
175.03934	0.7
177.01855	2.0
177.05484	0.9
181.05003	0.9
183.02879	3.3
187.03931	1.7
189.01862	1.2
191.03383	1.1
195.02879	1.6
195.06493	4.0
203.03445	0.7
205.04948	0.7
215.03494	1.0
229.04996	1.3
233.04498	0.6
235.02289	0.6
239.07066	1.3
243.02910	2.1
252.03984	0.5
255.06523	1.1
256.07294	1.0
261.03839	0.6
267.06512	7.5
270.05179	2.6
271.06024	5.8
277.04648	0.5
277.08401	0.5
279.06448	1.2
281.04782	0.6
281.08093	6.6
283.06000	100.0
284.06714	10.8
285.07462	0.8
293.08105	1.1
294.05234	0.6
295.06046	22.4
295.09546	2.2
296.06482	0.7
297.04166	1.0
297.07654	2.3
303.13312	0.8
305.08026	3.1
307.06055	1.7
308.06757	2.9
309.03949	3.1
309.07498	20.4
311.05469	1.4
313.07047	82.3
314.07422	2.3
321.07498	3.2
323.05698	0.7
323.09116	18.0
323.12982	0.9
325.07092	1.6
333.07617	4.1
335.05554	2.3
337.07059	34.0
338.07553	1.0
339.04947	1.2
347.05844	0.5
349.07089	13.9
351.08514	2.1
361.07053	10.0
367.08115	27.0
368.08618	0.7
379.08112	18.6
387.08432	0.6
397.09210	19.3
398.09573	0.6
403.07922	1.3
415.10236	67.2
416.09833	2.0
429.09442	0.6
433.11279	7.4
445.09000	0.5
465.11591	1.4
477.12033	0.7
489.12033	4.2
499.10919	0.8
507.13043	2.7
508.13522	0.6
531.13068	6.1
555.12701	0.9
591.14813	2.4
609.15533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Quercetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
51.72540	0.7
55.01874	1.2
57.03429	2.2
61.02916	1.5
68.99795	1.4
69.03428	2.9
74.26796	0.7
78.61375	0.9
79.05508	0.8
81.03407	2.2
81.18506	0.7
85.02909	10.0
85.85345	0.7
93.03401	0.7
97.02903	2.0
105.03416	0.8
107.04995	1.1
109.02880	3.1
109.52575	0.8
121.02857	1.8
123.04436	2.7
127.03934	1.9
130.88901	0.8
131.05008	0.9
133.02859	3.0
135.04390	1.8
137.02330	3.8
144.08110	3.6
149.02266	1.3
150.03134	1.9
151.03906	9.0
153.01849	11.9
163.03941	2.2
165.01811	3.8
167.03380	1.4
173.02353	1.6
173.05988	1.6
177.01839	5.1
177.05457	1.0
179.03477	1.7
180.21228	0.8
180.23970	0.8
187.03964	1.8
189.01883	5.2
190.02582	1.0
191.03412	2.9
195.02910	3.0
199.03992	1.6
201.05508	3.5
203.03369	5.6
205.05008	2.1
207.02893	4.8
213.05510	1.0
215.03366	2.4
217.04927	1.0
219.02895	5.8
221.04297	0.8
227.03455	1.2
229.04915	5.8
233.04478	2.8
243.02896	1.6
247.06017	2.3
255.02898	1.0
257.04468	4.0
267.06439	1.1
273.03952	1.4
274.04721	1.0
283.05939	1.0
285.04019	2.9
303.05011	100.0
313.07092	2.1
315.05032	10.6
316.05746	1.2
323.05762	1.6
325.06894	1.4
326.04202	4.1
327.04993	23.9
327.08246	1.0
328.05579	2.5
329.06610	2.7
339.05020	16.9
340.05746	4.7
341.06656	6.1
345.06122	9.5
351.05081	1.2
353.06433	8.4
354.07251	3.6
355.08099	3.5
357.06052	34.4
361.07129	1.0
365.06558	2.3
367.04214	1.0
367.08148	4.4
369.06076	26.3
371.07840	1.0
379.08136	3.6
381.06030	14.3
383.07642	9.2
387.07111	6.2
393.05960	7.2
393.10123	0.7
395.07635	3.0
397.09027	4.1
399.07172	3.4
405.06244	1.3
407.07584	3.6
409.05453	1.1
411.07117	24.2
421.09216	2.0
423.07108	10.3
429.08133	2.6
433.09637	1.1
435.07187	6.6
441.08273	15.9
447.08591	2.9
453.08316	9.4
459.09299	13.0
465.10492	6.3
471.09283	12.3
477.08838	3.1
489.10278	34.7
495.09259	1.5
507.11246	8.8
513.10309	9.9
519.09088	1.4
525.10077	1.8
531.11591	7.3
537.09985	1.8
543.11188	7.4
555.11334	8.5
561.12244	3.5
573.12390	11.2
591.13623	10.9
609.14508	5.0
627.15808	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	626.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
53.22329	0.4
55.05513	0.7
60.04525	8.4
68.05047	0.4
70.02955	0.8
70.06594	100.0
70.77787	1.0
70.78119	0.7
71.04982	0.9
72.08157	1.4
73.74277	0.4
79.05499	1.0
81.03439	0.9
81.07078	0.8
84.08131	1.2
85.02924	1.8
85.04052	0.6
85.06566	0.5
86.09721	1.6
88.04004	1.3
91.05479	6.2
93.07050	0.7
95.08615	0.8
97.02880	2.2
97.07664	1.4
98.06064	0.5
103.05489	1.1
105.03391	1.2
106.06588	0.5
107.04987	0.7
107.08634	0.6
110.07170	0.6
111.04326	1.3
115.08710	1.5
117.05788	0.9
118.06549	14.8
119.04942	1.0
119.07327	1.6
120.08109	5.9
123.04459	0.9
124.08739	0.5
125.07118	2.0
130.06546	1.3
132.08122	0.5
136.07581	2.7
137.06079	0.9
137.07100	6.6
138.07965	1.1
139.08656	1.1
144.08147	0.8
146.06015	30.9
147.04425	0.5
151.03940	0.9
152.08180	1.4
153.01895	0.6
153.08977	5.9
155.08195	0.6
157.09727	21.0
161.13338	0.4
163.03951	0.6
165.05547	0.9
165.09019	0.6
167.08578	1.0
168.08929	0.9
172.07643	0.6
172.11230	7.8
174.05568	1.6
182.08151	1.7
184.10779	0.7
185.09216	8.8
187.12392	0.7
195.08165	0.5
198.05545	0.6
199.12360	0.7
207.08061	0.6
213.06572	0.6
214.27817	0.4
215.11749	0.6
216.06517	1.0
216.12674	1.8
217.06062	0.7
217.13391	1.5
219.08022	0.9
223.07513	2.2
224.10464	0.9
225.10315	0.7
226.13414	0.7
229.11841	0.5
233.09351	0.7
236.10696	2.6
243.11401	0.6
246.09222	1.5
247.05954	0.5
254.12918	1.5
256.14551	0.6
258.12454	1.2
259.07303	1.7
259.70346	0.4
261.08707	13.7
265.08670	0.9
266.12756	0.8
270.11377	0.5
277.08301	1.7
282.11563	1.4
284.14032	0.8
286.15573	4.2
297.10873	0.7
300.13199	2.2
303.04681	0.8
312.13486	2.9
317.06573	4.2
318.06897	6.0
323.08789	1.2
330.14490	15.2
330.18341	0.9
331.15057	0.9
344.70404	0.6
362.09955	0.5
367.01813	0.5
385.13724	0.8
397.14099	2.1
442.16092	3.8
511.21957	7.5
539.21594	5.6
608.23669	1.7
609.22894	0.5
626.24493	31.2
627.24738	0.9
639.46729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.8
53.03945	6.2
55.01870	28.8
55.05511	25.8
57.03445	8.8
57.07076	5.2
65.03936	4.9
67.05506	61.1
69.03422	2.7
69.07069	65.2
71.04993	5.0
71.08620	2.3
71.49991	3.2
79.05495	47.0
79.05919	3.6
81.03424	7.6
81.07053	66.3
83.04981	7.5
83.08624	12.4
85.06549	2.9
91.05479	53.8
93.07040	47.7
95.01347	2.0
95.04948	9.9
95.08604	45.2
97.06532	35.2
97.10165	5.7
97.23595	1.7
99.08076	4.1
99.52892	1.7
103.05477	3.3
105.04540	2.2
105.07031	59.3
107.04957	10.6
107.08591	29.2
109.06531	6.9
109.10150	18.9
111.08076	4.4
115.05514	3.6
116.06191	2.0
117.07011	24.5
119.08585	43.7
119.81229	2.0
121.06499	5.6
121.10145	16.5
123.04449	1.7
123.08038	8.8
123.11729	5.5
125.09652	7.7
128.06203	4.5
129.07007	16.6
131.08563	39.4
133.06532	2.6
133.10139	34.6
135.08096	5.8
135.11679	14.3
137.09633	5.6
139.11211	3.2
141.07008	6.2
142.07822	4.4
143.08554	24.8
145.06491	2.0
145.10117	35.6
145.11182	3.0
147.08054	2.3
147.11703	23.9
149.09648	8.0
149.13283	6.8
151.11153	3.6
155.08571	12.6
157.10132	20.2
159.11696	28.8
161.09669	2.1
161.13263	16.2
163.11186	5.9
163.14928	3.6
165.12714	2.9
167.08607	6.1
169.10117	20.9
170.10968	1.9
171.07935	2.5
171.11667	22.6
173.13280	14.4
175.11185	3.1
175.14865	6.2
177.12735	3.6
179.14384	4.0
181.10098	12.0
183.11711	12.2
185.09711	1.9
185.13232	12.1
187.11249	3.2
187.14870	7.8
193.10063	2.5
195.11702	12.3
197.13258	12.6
199.14876	6.0
201.16393	4.0
203.14400	2.0
207.11746	3.3
209.13347	6.2
209.38072	2.0
211.14813	8.9
213.16396	5.0
215.18045	2.6
221.13300	3.4
223.14896	6.6
225.16444	4.6
227.17924	4.5
235.14780	2.0
237.16496	5.7
239.17938	4.4
241.19427	14.2
243.20988	3.0
255.17403	3.2
257.19043	6.4
258.54404	1.8
259.20560	19.3
273.18530	6.1
275.20074	33.3
277.21774	2.8
283.20813	2.3
291.19604	4.3
293.21411	3.0
297.22342	2.5
311.23795	2.6
313.21704	2.9
313.25250	2.5
315.23184	5.2
323.24026	2.4
329.24429	2.2
333.24344	15.5
349.23679	22.4
353.24911	2.3
403.30011	2.6
407.29337	3.2
419.33322	2.8
421.31012	2.1
435.33182	3.5
437.34256	15.2
463.32715	3.1
483.35858	2.0
497.37857	2.3
501.36301	3.3
509.36200	3.6
511.37814	7.8
513.35736	12.2
515.38800	6.6
527.37390	6.8
529.39056	6.4
533.39996	12.3
551.41351	9.2
555.36877	3.3
589.42957	3.3
597.44891	4.9
607.43628	57.4
608.43744	2.6
625.29547	7.4
625.44623	100.0
626.45038	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.2
55.01875	5.7
55.05511	26.2
57.03434	2.8
57.07062	2.8
58.69589	0.8
59.05000	1.8
65.03939	3.5
67.05506	54.2
69.03432	10.8
69.07070	29.8
69.40204	6.1
71.04988	2.0
77.03921	1.4
79.05494	49.2
81.03428	4.4
81.07057	47.9
82.07373	0.9
83.04990	4.7
83.08621	11.1
85.06545	1.9
91.04904	1.8
91.05482	31.5
93.07047	47.6
95.04974	9.5
95.08613	31.5
97.02893	10.8
97.06546	4.9
97.10166	12.6
97.40721	0.7
98.21521	0.8
99.08076	1.0
105.03410	0.9
105.04549	2.3
105.07035	22.2
105.07673	0.8
107.04973	6.4
107.08597	26.6
109.06528	3.2
109.09466	1.4
109.10163	15.7
111.08090	3.0
115.05472	2.4
116.08836	0.8
117.07018	13.3
119.08584	20.5
121.06509	3.6
121.10159	15.8
123.08105	4.2
123.11711	3.3
125.09623	8.1
128.06207	1.6
129.07013	5.1
131.08571	14.3
133.06502	3.2
133.10138	9.9
134.07280	1.0
135.08031	4.3
135.11690	8.8
137.09631	2.5
141.07030	1.5
142.07782	1.5
143.08585	5.9
145.06503	1.8
145.10117	14.4
147.08064	5.4
147.11682	5.5
149.09644	1.6
149.13261	6.4
151.11185	1.1
153.09123	1.6
155.08578	3.1
157.10103	6.9
159.08054	1.8
159.11716	8.4
161.09671	3.0
161.13306	3.7
163.11189	1.9
163.14854	1.5
165.09140	1.4
169.10127	2.5
171.11665	4.1
173.09605	1.0
173.11850	1.4
173.13164	4.2
175.11223	3.6
175.14796	1.4
177.12733	2.6
179.10674	0.8
183.11743	3.7
185.13290	3.3
187.14861	2.0
189.11221	4.4
189.12746	0.9
195.11719	2.3
195.13782	1.4
197.13309	1.5
199.14883	1.5
201.16394	1.1
205.12119	1.9
209.13284	1.7
211.14796	1.1
213.16487	1.4
223.13258	18.0
223.15118	1.2
227.12820	2.9
227.18004	1.6
232.14291	0.8
243.21008	1.4
245.18997	1.7
249.14870	1.6
255.17436	1.7
261.22162	5.7
271.17010	0.8
271.20432	0.7
273.18503	18.1
275.20120	1.7
277.21924	0.8
282.24094	0.8
291.19550	100.0
292.20108	1.6
303.86694	0.8
317.24704	2.4
333.24283	1.0
335.25983	3.2
347.22217	3.5
347.80450	1.0
363.26334	1.0
365.23340	3.6
365.27887	1.2
381.31879	1.1
507.70340	0.9
513.35938	1.0
515.38928	0.9
533.39752	1.5
551.41327	1.4
607.43860	4.0
625.44653	92.9
626.44922	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01874	4.9
55.05512	24.0
57.03429	2.9
57.07077	1.9
59.05000	0.8
65.03942	2.9
67.05505	47.6
69.03429	9.7
69.06687	1.5
69.07069	28.8
71.04998	1.9
79.05495	42.7
80.05833	1.0
81.03417	4.1
81.07055	41.3
83.04987	2.7
83.08618	8.3
85.06538	1.3
87.61864	0.7
91.05482	33.7
93.07044	39.1
93.07639	1.9
95.04963	7.5
95.08609	24.3
97.02895	9.9
97.06525	4.7
97.10162	9.2
98.20741	1.9
103.05495	1.0
105.04504	2.2
105.07042	16.9
107.04974	5.6
107.08595	24.0
109.06522	2.8
109.10147	13.2
111.04369	0.8
111.08093	1.5
117.07018	10.2
118.07368	1.3
119.08578	15.7
121.06523	1.4
121.10156	13.1
123.04444	1.0
123.08088	2.7
123.11716	1.5
125.09631	7.5
128.06255	1.6
129.06978	4.3
131.08583	11.7
133.06493	1.9
133.10139	9.1
135.08047	3.4
135.11678	8.3
137.09637	3.1
141.06993	0.9
142.07834	1.3
143.08493	4.6
145.06528	0.9
145.10129	7.5
147.08055	4.5
147.11688	5.0
149.09630	1.9
149.13260	4.1
151.24342	0.9
155.08556	0.9
157.10106	4.1
159.08119	1.6
159.11671	6.6
161.09651	2.0
161.13290	2.7
163.14810	1.2
165.09200	1.1
169.10168	1.9
171.10272	0.9
171.11754	2.2
173.11855	0.9
173.13295	3.2
175.11211	2.3
177.12791	2.0
179.10826	1.1
183.11705	1.5
185.13295	1.6
187.11125	0.9
187.14899	1.6
189.11295	3.5
195.13774	1.9
205.12263	2.1
207.13809	1.0
215.18118	0.9
223.13271	18.6
227.12717	1.7
227.18054	1.7
237.16412	0.9
243.21030	1.6
245.19006	2.3
249.14816	1.7
255.17473	1.8
261.22189	3.3
273.18542	14.9
291.19547	100.0
292.19873	1.5
317.24866	1.4
335.25867	3.3
336.36908	0.8
347.22098	1.7
365.23376	2.2
562.00165	0.9
607.43237	2.5
625.44666	73.9
626.44800	3.3
626.54614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.0
53.03943	4.3
55.01873	5.3
55.05513	25.3
55.05759	1.2
57.03434	3.3
57.07035	2.2
59.04966	1.2
63.94084	0.6
64.32714	0.7
65.03917	3.9
67.05504	57.0
67.05833	1.8
67.06011	1.4
69.03421	9.3
69.07070	29.2
69.07419	1.1
69.28490	4.4
69.28918	1.3
71.04945	2.0
71.08608	1.0
73.02874	0.7
77.03857	1.2
79.05492	54.1
80.05783	0.6
81.03413	5.7
81.07054	48.7
83.04980	4.9
83.08620	8.8
85.06529	1.7
85.10190	1.0
91.05480	34.2
93.07046	45.7
95.04970	8.8
95.08604	30.9
96.08929	0.9
97.02883	10.4
97.06525	5.5
97.10170	9.8
103.05438	1.3
104.77854	0.8
105.03348	0.6
105.04525	3.0
105.06324	0.7
105.07029	24.1
107.04972	7.8
107.08598	27.1
109.06516	6.1
109.10151	16.3
111.04412	1.3
111.08027	2.6
111.11690	0.6
113.05990	1.1
114.01916	0.6
115.05410	1.7
117.07019	11.1
119.04925	1.1
119.08582	20.4
119.76760	0.6
120.08868	0.8
121.06525	3.5
121.09357	0.9
121.10148	17.0
123.08060	5.4
123.11654	2.4
125.08805	0.6
125.09637	7.5
128.06190	1.3
129.06995	5.0
130.07736	1.1
131.07620	0.8
131.08575	16.2
133.06445	2.3
133.10133	11.3
135.08049	4.9
135.11691	8.9
137.09547	1.8
139.11188	0.8
140.34557	0.6
141.06970	1.7
142.07756	1.2
143.08551	5.7
144.09253	0.8
145.06441	2.0
145.10114	11.0
147.08070	4.9
147.11703	7.0
149.09543	3.0
149.13245	5.5
151.11194	1.6
154.07799	0.8
155.08514	2.6
157.10139	5.2
159.08034	1.5
159.11697	7.0
161.09677	4.0
161.10728	0.7
161.13298	3.3
163.11127	1.8
163.14793	0.7
165.06956	0.7
165.09068	1.6
169.10094	2.3
171.10321	0.7
171.11674	3.3
173.09547	1.3
173.11823	1.4
173.13232	3.9
175.11122	2.7
175.14806	1.8
176.22572	0.6
177.12698	2.5
179.10619	0.9
181.10025	0.9
183.11661	2.2
185.09599	0.7
185.13206	1.4
187.14804	1.8
189.11230	3.6
189.16422	0.7
193.12236	1.1
195.11771	1.2
195.13753	1.3
197.13181	1.4
199.11168	1.2
199.14792	1.0
201.16391	0.7
205.12186	2.0
209.13304	1.0
211.14828	0.8
213.16327	1.0
223.13254	16.8
227.12729	1.7
227.17900	2.0
229.19463	0.7
243.21127	0.9
245.18944	1.9
249.14786	2.0
255.17368	1.8
261.22220	3.7
263.19882	0.6
273.15506	1.0
273.18509	17.2
275.20126	1.9
289.18152	0.9
290.18085	1.0
291.19531	100.0
292.19931	1.7
309.20792	0.7
317.24695	1.4
335.25781	4.5
347.22168	2.5
365.23184	2.2
381.31335	1.5
527.37115	0.7
607.43323	4.8
625.44598	74.7
626.44666	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	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01871	38.6
55.05271	2.1
55.05513	31.0
56.53230	1.5
57.01633	1.5
57.03438	9.3
57.07065	4.2
57.11278	1.6
65.03944	4.8
67.05504	65.5
69.03423	4.1
69.07068	79.1
69.58746	4.9
69.59155	5.2
71.04987	3.8
71.07230	1.8
71.08625	1.5
79.05495	50.5
81.03407	6.5
81.07058	69.5
81.07534	3.6
83.04978	11.5
83.08628	12.6
85.06522	3.9
91.05479	60.8
91.06023	3.6
92.59566	1.6
93.06484	3.3
93.07046	53.8
95.01350	5.7
95.04977	12.4
95.08606	47.0
97.06535	45.2
97.10165	9.0
99.08099	3.4
103.05488	2.1
104.78249	1.6
105.07030	66.6
105.43660	1.5
107.04935	13.3
107.08597	30.0
109.06523	4.5
109.10147	18.9
111.08084	5.9
112.08723	1.7
115.05476	3.0
117.07013	26.8
119.06097	1.5
119.08581	51.7
121.06503	4.2
121.10146	19.6
123.04422	3.1
123.08093	7.0
123.11713	6.2
125.09634	6.0
128.06236	4.8
129.07027	20.4
131.08577	44.0
133.06517	3.4
133.10133	37.3
135.08072	3.8
135.11697	14.2
137.09607	4.1
139.11180	1.6
141.07004	5.8
141.11372	4.4
142.07784	4.7
143.08551	27.5
144.09363	3.3
145.06493	3.9
145.10115	39.8
147.07993	3.3
147.11684	33.2
149.09647	9.8
149.13266	6.5
151.11197	3.5
154.07776	2.2
155.08583	17.1
156.09309	3.0
157.08931	3.0
157.10120	26.1
158.11020	1.6
159.08131	2.4
159.11693	32.1
161.09584	2.1
161.13258	19.8
163.11208	6.3
163.14859	2.5
166.07805	2.1
167.08577	6.9
168.09317	2.1
169.10129	22.2
170.10976	2.1
171.10249	3.2
171.11661	26.3
173.09688	3.8
173.13274	18.7
175.14880	8.8
177.12762	4.0
179.08604	4.7
179.14388	3.1
181.10109	13.1
182.10934	2.2
183.11690	16.8
185.13255	19.1
187.11188	4.3
187.14857	9.9
189.11246	1.9
189.12833	2.9
193.10213	4.2
195.11685	11.4
197.13194	11.1
199.11174	3.0
199.14836	11.6
201.16406	3.0
207.11719	4.0
209.13298	7.5
211.14867	7.6
213.12830	2.3
213.16428	9.4
215.18004	3.5
221.13316	4.8
223.14838	6.6
225.12871	1.8
225.16457	3.5
227.14418	2.7
227.18008	3.5
229.19533	2.9
231.21201	2.4
235.14877	2.9
236.15431	2.2
237.16467	4.7
239.17963	2.9
241.14279	1.7
241.19534	19.1
251.18073	4.1
253.19641	1.8
255.17519	1.7
257.18915	9.5
259.20566	21.6
265.19611	2.9
265.31113	1.8
273.18500	5.6
275.20071	48.2
277.07294	1.6
277.21747	5.2
279.16000	2.9
283.20450	1.7
283.24130	1.6
285.18536	1.6
291.19547	4.8
293.21338	6.1
299.23694	2.0
311.23599	2.0
313.21933	2.8
313.25226	2.3
315.23343	4.5
323.23792	2.6
325.21637	2.2
331.22766	2.2
333.24258	22.3
339.23209	3.6
341.24893	3.3
349.23685	32.1
395.29660	2.9
409.31061	2.5
417.31549	3.2
419.33197	3.9
421.31177	3.7
435.32553	9.5
437.34262	21.8
455.35147	2.4
463.32346	2.0
475.35260	2.4
483.34964	2.0
493.36639	4.1
497.37585	2.2
501.35626	2.7
509.36533	4.6
511.37909	14.1
513.35748	10.4
515.38892	9.5
527.37555	6.2
529.38995	9.0
533.39917	15.9
538.37067	2.7
551.41046	10.5
555.37109	5.6
556.37427	4.5
589.42255	2.4
597.45398	3.4
607.43500	64.6
625.44623	100.0
626.44690	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	625.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01868	3.2
55.05515	6.6
55.05722	1.3
57.03428	3.8
57.07068	11.2
59.04993	1.3
60.04522	2.6
61.02911	1.1
62.10847	1.1
62.65545	1.3
67.05502	27.4
69.03427	9.5
69.07069	12.6
70.06590	30.0
70.17435	4.8
71.04993	6.7
71.06912	2.5
72.08135	3.4
73.02905	2.9
74.06083	1.5
79.05492	15.1
81.03420	6.7
81.07056	30.7
83.04963	5.8
83.06113	1.5
83.08604	3.8
84.04469	2.3
84.08126	4.3
85.02905	24.5
85.06542	100.0
86.09703	12.0
87.00798	3.8
87.04479	1.3
91.05477	16.1
93.07047	23.5
95.04985	3.3
95.08611	23.2
97.02892	6.5
97.06510	4.9
97.10152	2.4
99.04437	3.3
99.08076	2.4
103.05457	2.1
105.01860	3.1
105.07027	17.6
107.08593	19.2
109.02865	4.9
109.06512	1.8
109.10152	19.1
111.08063	3.5
111.11742	2.7
117.06982	4.6
118.06503	3.4
119.08587	15.9
120.08080	6.8
121.02894	1.5
121.10136	12.6
123.04436	1.9
123.11698	6.2
125.09598	3.3
127.03926	11.5
129.05486	2.1
129.10217	3.1
131.08533	5.6
133.10144	12.6
135.07962	1.8
135.11688	14.4
136.07555	3.0
137.05943	2.0
137.07114	2.2
137.09605	4.1
139.11200	2.2
143.08527	1.7
144.08101	4.1
145.04971	1.6
145.10085	7.4
146.06030	6.5
147.06329	1.6
147.11655	6.1
149.13235	5.6
153.01848	3.2
153.12749	2.3
157.09857	3.4
159.02893	2.9
159.11673	5.8
161.13243	4.0
163.03915	3.4
163.11172	3.3
163.14854	3.0
165.05542	1.3
165.12730	1.7
171.11601	2.0
173.13197	2.2
175.14757	3.8
177.05441	2.1
177.12729	2.4
177.16389	2.7
181.12210	4.2
185.09166	1.5
187.14842	2.6
189.16353	3.2
193.15855	2.2
195.13799	1.4
201.16437	1.6
203.17950	4.3
213.10004	1.4
213.16333	1.3
221.18846	2.1
239.20064	2.6
243.77527	1.3
259.14386	2.3
260.14774	1.4
269.22543	3.9
275.23703	2.8
283.15424	2.3
287.23648	5.5
293.24786	2.0
301.07025	2.7
302.04117	4.4
305.24792	10.6
309.08704	1.5
311.25803	8.3
313.07144	2.6
313.13690	1.5
317.06552	37.0
323.25830	27.1
330.14465	5.6
331.14813	7.3
337.07077	1.9
341.26898	23.2
343.07672	1.5
359.27896	10.7
514.70313	1.3
619.73425	1.4
625.31165	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	625.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
57.42624	0.6
65.70709	0.7
67.05509	3.2
69.03395	0.8
69.07040	1.2
71.04962	0.9
79.05476	2.8
81.03412	2.4
81.07063	4.2
81.17866	0.6
83.05011	0.9
83.08636	1.1
91.05474	3.3
93.07050	3.1
95.04951	1.5
95.08613	1.8
105.07047	2.0
107.08617	1.4
109.10139	1.6
117.07041	1.4
119.08600	1.2
120.08025	0.8
121.10168	1.2
131.08604	1.2
133.10152	1.7
151.11194	0.8
169.10175	0.6
176.65871	0.6
180.65378	0.6
183.62701	0.7
189.56204	0.7
253.14613	0.8
275.20190	0.8
285.97614	0.7
406.18011	0.9
407.18634	1.8
420.19785	1.4
421.20532	4.0
422.21225	1.5
423.21799	0.8
430.18646	0.8
433.20758	1.0
434.17245	1.2
435.17841	1.9
436.22845	1.5
448.18979	1.9
449.19675	8.4
450.20291	1.4
463.21799	4.0
463.30783	1.0
464.22397	3.4
475.21216	1.6
477.19000	5.6
478.20126	2.6
479.20578	0.8
493.22318	0.8
519.20349	1.1
521.21692	2.7
522.22852	1.7
523.23303	3.0
527.37695	1.1
533.22247	0.8
537.25415	1.7
547.23627	2.6
550.22278	3.2
551.22974	2.6
565.24524	4.4
567.22113	0.8
581.24042	3.1
582.24469	1.1
593.24347	1.1
596.25873	0.9
607.25616	1.5
610.24127	7.1
625.26532	100.0
626.27100	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18491	0.6
55.01861	0.8
55.05526	1.4
67.05521	3.4
69.07064	1.5
70.06565	0.8
71.05005	0.8
71.50608	0.7
79.05485	3.0
81.07060	3.9
83.05023	0.8
83.08608	1.3
83.28060	0.7
89.05952	0.6
91.05489	2.3
93.07044	2.1
95.05006	0.9
95.08615	1.9
97.06530	0.8
105.07031	3.8
107.08584	1.8
109.10149	1.3
117.06992	1.1
117.62702	0.8
119.08541	0.9
121.10123	1.2
129.07022	0.9
131.08557	0.9
133.10168	1.5
135.11685	0.7
143.08606	1.1
147.11685	1.2
172.22688	0.8
197.13228	1.1
275.20193	0.8
298.55743	0.7
407.18347	1.4
407.22903	0.9
418.17682	0.8
419.18896	1.7
420.19913	1.3
421.20514	3.4
422.21140	1.1
423.21573	1.3
429.83881	0.7
433.20438	3.0
434.21191	3.0
435.17776	2.1
435.22360	1.9
448.19156	1.9
449.19681	6.4
450.20712	1.0
463.21341	2.6
464.22223	2.9
465.22958	1.2
474.20715	0.8
477.19244	3.1
478.20038	2.2
479.20898	2.2
491.20773	0.9
492.21689	1.4
493.22400	2.2
507.23935	2.1
519.20496	1.0
521.21820	1.3
523.23181	1.1
547.23407	2.7
550.22241	2.1
551.23004	2.1
565.24432	8.7
567.25787	0.8
581.23987	2.1
607.25726	4.0
607.43048	0.9
610.23987	3.4
625.26550	100.0
625.43921	3.0
626.27167	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	625.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05497	1.8
57.03428	3.7
59.86726	1.6
61.02937	2.3
64.27206	1.3
66.37641	1.7
69.03419	2.8
70.06602	8.2
71.49643	1.9
72.08151	1.6
76.81332	1.4
81.03420	3.9
81.41291	1.4
84.08134	3.6
85.02901	6.4
86.09706	3.8
93.03412	2.8
94.78983	2.1
103.03934	2.7
105.03416	1.3
107.04985	2.1
109.02898	2.8
110.07159	1.6
111.04453	2.0
121.02848	2.0
121.06393	1.6
123.04427	4.3
135.04411	3.4
137.02330	6.4
144.08113	3.2
147.04439	1.6
149.05981	9.2
151.03903	29.3
151.05038	2.4
161.02315	1.5
163.03874	1.8
175.03925	3.1
177.01906	2.4
177.05563	1.8
179.03326	1.9
181.68492	1.6
187.04002	2.2
189.01807	8.3
191.03398	4.2
195.02800	4.5
201.01797	2.0
201.05498	2.4
203.03375	6.8
207.02914	6.4
211.04039	1.6
215.03481	2.0
216.04167	2.2
217.04961	4.8
219.02939	8.0
221.04437	2.5
229.04958	4.1
231.02855	1.9
233.04474	2.3
239.03284	1.8
247.06097	2.0
255.02946	3.0
257.04544	3.6
261.03879	2.3
267.02917	1.6
267.06406	2.2
273.04221	2.0
281.04480	2.2
282.05380	2.4
283.05856	2.4
284.06738	2.6
285.03992	2.9
294.05136	1.8
295.06024	3.9
296.06717	4.9
297.07663	3.1
298.08484	5.1
308.06815	2.4
309.03928	2.4
309.07602	4.6
310.04953	11.1
310.08096	2.7
311.05548	4.5
311.08951	2.6
312.06250	5.1
313.07065	10.6
321.07550	2.4
322.04688	9.0
322.08221	2.7
323.05411	5.6
323.09042	3.5
324.06281	26.1
324.09998	2.3
325.07059	70.6
326.07770	7.5
327.08759	9.0
332.06900	2.1
334.04550	2.7
334.08249	2.4
335.09286	1.8
336.06256	10.7
337.07059	51.6
337.11093	2.6
338.07794	15.6
339.08569	11.5
340.05710	5.5
343.08197	6.9
348.06247	3.9
349.07022	3.5
349.10995	1.9
350.07892	6.5
351.04742	1.7
351.08646	24.0
352.06030	8.1
352.09055	7.5
353.06577	3.6
353.10403	3.8
355.08124	100.0
356.08197	2.2
361.06903	2.3
362.07852	4.2
363.08636	6.9
364.09494	3.5
365.10263	14.8
366.07358	8.1
367.08121	63.8
367.12659	3.2
375.08505	3.5
377.10315	8.5
379.08105	30.7
380.08820	4.3
381.09766	19.9
385.09143	22.9
387.08511	2.9
390.07309	3.6
391.08014	17.2
393.09583	5.8
395.11386	14.6
397.09167	3.7
403.07880	7.5
405.09534	8.4
409.09192	59.6
415.08041	2.9
419.11624	3.0
421.09186	26.7
423.10718	2.6
427.10403	2.0
431.11496	3.0
433.09222	23.5
439.10229	48.2
443.11099	2.6
445.09366	3.3
447.10413	2.7
451.10284	26.5
457.11313	48.0
463.10330	4.3
469.11292	35.6
470.11429	1.8
475.11795	8.3
487.12372	92.4
488.12546	2.2
493.11057	6.1
505.13440	18.0
511.12354	28.8
517.11212	4.7
523.12421	3.3
529.13458	17.3
535.12164	6.5
541.13422	19.1
553.13446	27.1
559.14417	10.5
571.14484	26.6
589.15619	22.6
607.16449	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	623.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.4
53.03959	5.0
55.01872	8.8
55.05513	47.0
57.03439	5.8
57.07076	2.0
59.04995	1.3
65.03922	3.8
67.05506	56.5
68.35220	0.9
69.03433	7.1
69.07066	13.8
69.42780	7.9
71.04983	2.3
71.08620	0.9
74.73992	0.9
75.94670	0.9
79.05495	59.0
81.03413	2.6
81.07056	46.2
83.04980	4.7
83.08158	1.4
83.08617	18.1
83.40326	1.0
86.12923	1.0
91.05482	50.8
93.07047	39.1
95.04964	6.1
95.08609	21.0
97.06530	2.4
97.09553	2.0
97.10171	33.9
97.10790	2.3
103.05456	2.1
104.06252	1.3
105.04513	1.4
105.07037	18.7
107.04941	3.0
107.08594	35.6
109.06517	2.9
109.10155	12.5
111.08100	3.4
115.05449	14.5
116.06298	1.0
117.07016	65.1
119.08584	55.5
121.06519	3.0
121.10126	10.2
123.11690	1.2
125.09632	35.7
128.06219	3.2
129.07019	7.0
130.07797	1.0
131.08572	16.3
133.06537	1.9
133.10114	5.2
135.08061	13.0
135.11705	5.4
137.09650	1.5
141.07011	3.4
142.07768	2.9
143.08565	13.0
143.10591	2.1
145.06485	70.9
145.10123	12.4
147.08043	9.3
147.11714	2.2
149.13234	2.3
153.09100	6.6
155.08536	7.4
157.10133	11.2
157.11346	1.7
159.08080	13.7
159.11670	5.8
160.08659	1.0
161.09604	2.6
161.13237	2.8
163.07524	3.6
167.08502	2.0
168.09464	1.0
169.10098	5.2
171.10149	4.9
171.11682	3.0
173.09615	4.5
173.11769	1.1
173.13210	1.9
175.11143	1.5
181.10109	1.9
183.11693	4.2
187.11189	2.1
187.14832	1.3
189.11220	33.1
192.09406	1.1
197.13158	1.7
207.11806	1.5
209.13283	1.8
225.16356	4.6
227.12784	20.0
235.14801	2.7
243.17484	8.9
253.15964	5.1
261.18533	2.0
261.22153	3.2
271.16928	100.0
273.18512	2.6
289.18030	18.4
289.21213	0.7
327.19662	2.0
335.25827	16.2
345.20602	13.4
363.21948	1.3
465.35522	1.0
482.38867	2.6
487.34360	1.1
505.35190	2.3
563.09064	1.0
605.41968	13.8
623.27521	1.6
623.43018	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	623.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03940	8.1
55.01870	10.7
55.05511	68.7
57.03440	8.6
57.07066	2.6
59.04997	2.4
65.03941	6.2
67.05503	79.0
69.03423	8.5
69.07066	20.3
70.63002	2.4
71.04983	3.2
73.38867	0.9
74.24721	0.9
77.03937	2.4
79.05491	89.8
81.03403	2.1
81.07055	62.8
83.04987	5.4
83.08615	26.7
83.09113	0.9
85.06557	2.0
91.05480	83.1
93.07040	61.4
95.04970	9.7
95.08606	32.9
97.06519	4.4
97.10167	52.8
103.05461	4.9
104.06258	1.4
105.04525	2.5
105.07030	26.7
107.04946	5.9
107.08591	47.0
109.06509	4.7
109.10152	17.0
111.08063	4.6
115.05450	14.6
116.06278	1.6
117.07016	66.1
119.04969	1.1
119.08577	90.6
121.06504	5.3
121.10142	16.4
121.10928	1.3
123.08053	2.1
123.11700	3.3
125.09625	52.3
128.06219	4.4
128.60201	1.0
129.06987	7.4
131.08559	20.5
133.06476	2.6
133.10118	10.4
135.08043	16.0
135.11681	9.1
137.09561	4.3
141.07013	3.2
142.07803	3.3
143.08560	14.4
143.10683	2.6
144.05682	1.5
145.06479	71.2
145.10118	13.8
147.08049	8.8
147.11647	6.1
149.09604	1.8
149.13274	3.8
152.82782	0.8
153.06953	0.9
153.09100	8.2
154.07770	1.4
155.08572	6.6
157.10100	10.9
157.11130	0.9
158.07228	1.1
159.08055	19.3
159.11679	6.3
160.04854	0.8
161.09595	5.2
161.13303	3.0
163.07529	5.6
163.11232	1.5
167.08530	1.3
169.10126	7.1
171.08038	2.2
171.10196	6.9
171.11659	2.3
173.09644	6.2
173.11853	1.2
173.13264	3.5
175.11249	1.9
179.08574	1.0
181.10117	1.6
183.08051	1.0
183.11697	2.9
185.09662	1.2
185.13351	1.6
187.14799	1.0
189.11209	54.6
191.10619	1.2
193.10135	1.6
197.09636	1.2
197.13330	1.8
209.13315	1.5
211.11305	1.5
211.14862	1.8
215.14287	1.3
215.18143	1.4
225.16391	5.5
227.12727	20.0
235.14876	3.2
243.17384	9.3
243.21140	1.7
245.13947	2.5
253.15976	5.1
261.18729	1.6
261.22220	5.4
271.16916	100.0
272.17371	1.6
273.18671	2.7
289.17975	36.8
307.19064	1.3
309.18246	1.0
317.24911	1.1
327.19589	3.5
335.25772	24.5
345.20602	16.6
363.21799	5.9
379.29947	1.5
487.34439	2.0
505.35141	5.4
547.98346	0.9
565.08624	0.9
566.01886	1.0
605.41943	11.1
606.10364	1.0
623.43036	50.5
624.43060	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	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
53.03935	7.1
55.01875	10.6
55.05511	63.5
57.03432	6.8
57.07068	3.1
59.04988	1.8
60.08168	1.9
65.03938	6.4
67.05504	74.1
67.20963	1.3
67.51257	1.4
69.03432	8.5
69.07075	21.3
71.04996	3.4
77.03894	2.0
78.25502	1.4
79.05492	77.4
79.64489	1.4
79.71133	1.4
81.03422	4.8
81.07056	60.5
83.04977	6.8
83.08619	25.0
83.30792	1.4
85.06554	3.2
86.09719	6.2
91.05482	73.7
93.07042	60.6
93.07639	2.5
95.04972	7.8
95.08604	30.3
97.06550	4.1
97.10172	44.4
97.10789	2.6
103.05466	2.9
104.06271	2.1
105.04530	3.9
105.07034	25.9
107.04958	5.8
107.08589	44.2
109.06534	4.7
109.10143	19.9
111.08057	2.6
115.05450	13.9
115.06036	1.3
117.07021	61.0
119.08582	77.9
121.06569	5.0
121.10143	15.3
123.08083	3.1
123.11693	3.4
125.00024	4.4
125.09631	47.3
126.02267	1.4
128.06218	7.7
129.07014	8.6
130.07816	2.1
131.04974	1.3
131.08572	18.3
133.06534	2.0
133.10133	12.8
134.95076	1.5
135.08037	20.1
135.11708	7.8
137.09633	2.6
141.07024	4.4
142.07819	2.7
143.08551	14.3
145.06483	58.6
145.10114	16.8
147.08040	8.3
147.11710	4.1
149.09570	1.5
149.13309	3.8
153.09122	7.4
155.06068	1.7
155.08589	6.0
157.10121	10.5
159.08052	16.6
159.11714	5.7
161.06017	1.6
161.09610	3.7
161.13264	2.8
163.07616	4.7
163.11205	2.0
169.10181	6.4
171.08220	1.7
171.10207	4.5
171.11687	3.4
173.09644	5.3
173.11911	2.1
173.13306	4.7
175.11224	2.2
179.08557	1.5
181.10136	2.7
183.11731	4.5
184.07336	17.9
185.07736	3.7
185.13435	2.2
187.11226	3.1
187.14891	3.0
189.11229	42.8
189.12933	2.5
191.10582	1.5
193.10219	2.0
197.13246	2.4
199.14967	2.0
201.16502	1.8
211.11293	1.5
225.16504	5.2
227.12787	17.3
235.14885	4.3
243.17528	8.7
253.15800	6.5
261.18576	1.5
261.22217	5.1
271.16925	100.0
275.20151	2.1
289.15070	1.2
289.17984	34.7
317.25027	1.7
327.19791	2.2
335.25858	24.2
345.20627	14.2
363.21735	4.7
444.38092	1.7
487.34534	2.1
505.35321	6.9
531.38605	1.7
549.39917	1.8
605.42102	13.8
623.27808	4.7
623.43036	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01875	5.4
55.05511	22.3
57.03433	9.1
58.37523	2.0
61.02932	32.6
65.03943	3.4
67.05508	58.3
69.03424	13.7
69.07065	18.7
69.37195	18.9
71.04981	6.5
73.02902	9.9
78.42110	2.2
79.05077	4.1
79.05498	46.4
81.03419	23.2
81.07063	54.9
83.04974	7.7
83.08625	18.0
85.02905	24.2
85.06544	5.1
91.03954	14.1
91.05486	61.9
92.85233	2.3
93.07045	40.5
95.04961	9.6
95.08612	30.3
97.02887	25.2
97.06522	10.6
97.10153	7.0
99.04456	3.1
103.05451	3.4
103.39271	2.3
105.04547	2.3
105.06392	4.4
105.07029	46.0
107.04943	7.6
107.08599	18.6
109.02868	8.2
109.06517	5.2
109.10145	12.9
111.08049	4.8
113.05953	3.0
115.03955	2.3
115.05461	4.1
117.07022	35.4
119.07954	2.3
119.08605	25.8
121.06493	7.5
121.10162	15.9
123.08024	4.6
123.86118	2.4
125.09683	3.7
127.03924	6.2
128.06224	10.8
129.07002	42.1
131.04971	3.2
131.08578	42.2
133.06467	8.7
133.10130	21.6
135.08022	5.6
135.11667	8.6
137.09631	4.2
139.11147	3.8
141.06995	19.9
143.08566	34.6
145.06508	10.1
145.10149	23.0
147.08063	5.9
147.11694	10.6
149.09622	6.1
149.13281	2.9
151.11116	3.1
153.07042	3.5
154.07796	3.1
155.08580	28.6
157.06519	4.1
157.10170	20.4
159.08057	4.8
159.11685	15.1
161.09650	5.0
163.11160	3.4
165.07007	3.0
166.07814	3.4
167.08556	12.6
169.10139	16.8
171.00926	2.3
171.11710	12.1
173.04454	5.4
173.09602	4.1
173.13306	2.7
175.11194	7.9
177.12666	3.1
179.08597	5.6
181.06615	2.2
181.10149	15.3
183.11674	11.4
185.09624	3.4
185.13242	9.6
187.11208	3.8
189.12717	3.8
191.10547	3.2
193.10132	9.0
193.12201	5.7
194.46194	2.1
195.11722	11.9
197.09634	2.6
197.13284	7.9
199.11211	4.8
199.14891	3.4
201.12793	3.6
206.10887	3.0
207.11691	3.2
209.13266	8.4
211.13167	3.9
213.12733	2.9
215.14299	10.2
217.15979	2.6
221.13266	7.7
223.14836	9.9
225.16394	5.4
229.14282	3.9
233.13257	2.4
235.14966	5.5
239.14322	6.6
253.15923	4.5
255.52393	2.3
257.15347	4.3
259.17044	3.0
264.14716	2.8
269.17642	2.8
271.16953	5.6
273.14868	2.5
323.23669	8.4
333.22168	14.7
341.24677	8.6
351.18802	2.7
351.23160	50.7
356.11819	2.4
369.24197	39.4
387.25339	18.3
389.24588	2.9
411.25812	2.5
425.26840	9.7
433.29956	3.3
443.28012	100.0
444.28030	3.5
461.28964	82.7
486.92719	2.8
582.69238	2.7
605.32910	6.3
623.34271	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05515	2.7
57.03428	0.9
57.07077	2.4
57.70465	0.4
59.05010	2.7
65.03962	0.5
67.05505	5.2
69.07053	1.7
69.62772	1.5
69.63179	1.3
71.05008	0.5
71.08636	2.3
79.05495	4.7
80.75880	0.5
81.07045	3.9
83.04980	1.2
83.08628	0.9
85.10182	1.8
87.04485	0.7
89.06015	2.5
91.05485	4.9
93.07061	3.9
95.08588	3.3
97.10143	0.8
105.07027	2.9
107.04995	0.9
107.08601	2.7
109.06523	0.9
109.10132	1.3
117.07063	2.8
117.07749	0.4
117.09140	0.5
119.08575	3.4
121.06474	0.6
121.10162	1.6
125.09644	0.7
127.95769	0.5
129.07045	0.9
131.08554	2.2
133.08606	1.6
133.10191	0.9
135.08060	0.7
135.11676	0.5
143.08553	0.9
145.06491	1.3
145.10139	2.0
147.08072	0.8
157.10178	1.0
159.08029	1.3
159.11760	0.7
161.09660	0.9
163.07509	0.6
163.11186	0.5
169.03053	0.5
169.10167	0.7
173.09624	2.4
177.11269	0.9
187.14819	0.6
221.13774	0.6
243.17418	0.7
253.15942	0.7
271.16949	2.5
271.20816	0.6
289.18164	2.4
293.38788	0.5
299.71094	0.4
312.14548	0.5
335.25958	0.8
389.17844	0.7
401.18250	0.6
403.19406	1.0
413.17700	0.8
414.18552	1.5
415.19241	2.0
416.20361	0.9
417.21384	0.8
419.18320	1.0
427.19391	0.8
428.20276	1.4
429.20831	7.3
430.21365	1.3
431.18350	0.7
433.23981	1.9
434.21262	0.8
443.22366	4.3
444.23553	3.4
445.24310	1.5
447.22015	1.4
449.23456	0.6
455.18890	0.7
456.19562	1.0
457.19446	1.0
457.24783	0.8
458.25098	3.1
459.21640	5.4
460.22388	2.4
461.19263	1.5
461.23642	2.1
462.19751	2.3
463.21472	0.7
470.21381	0.9
471.21710	0.9
472.22638	5.4
473.24091	2.5
475.21368	1.4
476.22098	1.7
477.23016	3.0
485.23334	6.6
486.23975	1.2
487.25061	5.1
489.22992	1.0
502.23975	0.6
503.24658	3.2
513.22473	0.6
517.26196	4.2
519.23822	1.5
521.21759	1.4
530.23096	0.6
531.23944	4.9
545.25452	51.8
546.25891	2.9
563.26416	10.7
591.25842	1.0
605.27563	5.0
623.28613	100.0
623.43024	3.4
624.28955	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40866	1.1
55.05501	1.4
69.24470	3.9
77.51860	1.2
100.65269	1.4
100.88618	1.3
131.56664	1.1
169.70218	1.4
210.11572	1.5
223.12303	1.5
225.14056	1.3
230.46106	1.2
403.19638	1.6
418.17899	1.7
419.18481	2.4
433.15869	2.5
433.20819	1.6
435.22183	1.8
447.18118	5.1
448.18085	2.2
448.23334	1.4
449.23767	2.5
461.19672	5.0
462.20349	4.5
463.21350	6.4
475.21277	4.3
476.21942	8.4
477.22757	9.7
478.23434	1.5
489.22580	1.2
534.23132	1.4
535.23639	4.3
536.23859	3.7
545.25000	2.1
547.27216	2.8
548.23975	1.5
549.24957	4.3
550.25800	2.0
563.26599	16.2
564.27167	4.9
579.30182	1.6
591.25751	8.3
594.25269	2.8
595.28949	3.9
605.27588	4.4
608.26337	2.5
623.28516	100.0
624.28534	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	622.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
57.03441	0.8
59.04713	1.4
59.05005	26.5
61.02930	1.0
69.03441	1.9
70.06580	3.6
71.49189	1.8
72.08144	2.0
73.06552	1.4
74.06096	1.3
81.03424	1.9
84.04524	0.8
84.08163	1.6
85.02907	4.2
86.09705	2.4
87.04475	5.0
89.06036	100.0
91.05457	0.8
97.02905	2.6
103.07603	2.2
106.29384	0.7
107.07095	1.8
117.09135	1.7
131.07103	1.4
133.08611	60.9
136.07526	1.2
147.10201	1.1
151.09691	1.2
160.03308	0.7
161.11655	1.4
177.11247	20.4
185.50394	0.9
221.13814	4.1
239.14931	4.0
265.16458	0.8
283.17517	4.7
309.18933	1.2
327.20157	44.6
328.20221	1.1
371.67865	0.8
385.24374	14.1
438.84082	0.8
443.28470	12.3
458.03632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.04999	5.2
69.03411	0.8
69.07065	0.5
69.22946	3.4
70.06590	1.8
72.08149	1.1
73.02908	0.5
73.06541	1.8
79.05492	0.4
81.03421	0.5
84.08155	1.1
85.02911	0.5
86.09716	3.4
87.03934	0.7
87.04466	12.7
87.10058	0.5
87.46444	0.4
89.06027	100.0
91.07584	0.7
97.02896	0.4
98.20801	0.7
101.06100	0.5
103.07587	2.2
107.07072	1.8
107.08586	0.5
109.10190	0.6
110.10555	0.4
116.07047	0.5
117.09112	1.3
119.04926	0.4
120.08078	0.7
123.04475	0.4
127.03893	0.6
129.10233	0.7
130.08627	0.8
131.07033	3.7
133.08601	58.9
136.07555	0.5
147.04453	1.2
147.10179	0.8
159.10223	0.4
160.48494	0.4
164.07045	0.5
175.09674	2.2
177.11220	21.6
183.11334	0.4
191.12804	0.7
201.33696	0.4
219.12265	0.9
221.13814	3.5
239.14764	0.5
240.35329	0.3
248.46872	0.4
258.01749	0.4
265.16422	0.9
283.17343	0.9
287.75525	0.4
291.43845	0.4
309.18994	0.8
327.20105	1.0
343.16003	0.5
344.16681	0.5
353.21494	0.6
395.22720	0.4
401.37729	0.4
415.25421	0.4
459.28000	0.9
503.30569	1.1
547.33191	4.6
558.54065	0.4
605.37384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01865	3.5
57.03438	3.6
57.95235	1.5
59.04992	2.6
61.02920	1.6
65.03919	3.2
66.28625	1.6
67.05479	2.4
68.99789	3.2
69.03429	4.1
70.06588	16.6
71.49802	2.4
72.08140	7.1
73.02912	4.8
78.35158	1.6
79.05479	2.3
81.03391	7.0
81.07051	2.6
84.04497	3.5
84.08139	9.5
85.02911	10.9
86.09706	12.1
87.00854	2.5
87.04472	1.6
89.06024	2.1
91.05474	4.8
93.07035	4.8
95.04972	2.0
95.08561	3.7
97.02882	4.2
99.04458	2.7
101.06067	1.8
103.05476	2.1
107.04949	3.3
107.08546	3.0
109.02872	6.0
109.10102	3.5
110.07117	3.0
111.04394	2.8
117.07002	5.5
118.06535	17.2
119.04972	8.5
119.08550	3.1
120.08086	4.9
121.02868	48.6
121.10111	2.4
123.04428	3.5
127.03920	9.7
128.44260	1.9
128.55151	1.7
129.10239	4.6
130.06529	100.0
141.01871	2.8
143.07278	4.5
144.08092	55.7
145.02853	5.4
145.04900	3.2
147.04373	6.1
149.02397	2.0
151.03911	3.4
154.06442	2.7
160.07523	4.5
163.03937	4.2
165.01903	2.2
168.24149	1.7
172.07565	40.0
175.03888	3.6
184.07451	2.1
189.01807	11.1
189.05479	2.2
190.08635	68.9
191.03375	10.0
193.04977	1.9
195.02904	4.1
195.10129	3.0
197.05930	1.8
203.03392	11.8
207.02870	5.8
209.04373	2.5
213.05458	2.2
215.03412	2.3
217.04961	7.2
219.02829	3.4
221.04515	3.5
229.04993	2.7
231.02835	3.0
241.05061	2.2
255.02835	1.8
265.08716	1.6
269.04492	3.1
279.06381	4.0
280.07254	2.6
281.08090	3.9
283.06000	18.2
288.06677	2.4
291.06375	2.4
292.07104	2.4
293.08051	6.1
294.05295	13.8
295.06018	34.3
295.09097	1.6
296.06757	3.8
297.07468	3.2
300.06671	3.1
307.06006	74.0
307.09277	2.8
308.06705	10.8
309.07556	72.4
313.07037	10.7
316.09445	2.6
318.08032	2.7
319.06024	7.6
320.06711	5.2
321.07574	30.3
322.08264	4.9
323.09198	4.6
325.07050	26.4
328.09518	1.9
333.07544	6.8
335.09103	22.6
337.07056	96.9
339.08505	6.9
340.09579	2.1
343.08133	5.0
345.07642	2.7
346.07980	2.7
347.09137	15.2
349.07016	15.6
349.10773	4.9
351.08658	6.2
355.08109	40.1
357.07822	2.6
359.09079	3.9
361.07101	9.0
363.08658	14.2
367.08124	36.7
373.06955	2.8
375.08609	13.7
377.09943	3.7
379.08109	20.7
381.09695	5.1
385.09387	31.1
387.08575	6.3
391.08118	29.4
395.11298	2.9
397.09250	5.4
403.08249	21.5
405.09775	5.6
409.09235	52.4
415.10385	17.8
421.09116	22.6
422.10059	2.6
423.11005	5.6
424.11719	9.6
433.08890	12.1
436.11850	18.1
439.04648	2.6
439.10278	33.5
451.10202	24.0
454.12790	3.5
457.11148	19.7
466.12866	2.8
469.05444	2.6
469.11377	33.4
478.12720	4.9
484.14044	5.0
487.12341	22.2
490.12808	2.2
502.14398	6.5
508.13620	3.7
520.13531	6.0
526.14795	10.3
532.13928	2.5
538.14667	8.8
550.14893	5.2
556.16187	5.6
568.15442	2.2
586.17029	4.8
604.18262	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	621.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	20.5
55.05509	51.6
60.04519	58.6
64.47389	16.0
67.05498	77.7
67.05827	17.1
69.03412	39.2
69.07083	23.1
69.40775	80.5
69.41192	54.1
70.06571	22.6
72.88373	15.5
73.32436	18.1
79.05494	78.9
81.03431	94.6
81.07060	89.4
83.05009	21.1
83.08613	24.6
85.02906	23.1
91.05502	100.0
93.07052	67.3
95.04956	34.1
95.08611	39.8
97.02921	19.0
97.06480	18.8
105.07028	57.6
107.08599	39.2
109.02921	26.0
109.10173	30.9
117.07047	40.7
119.08550	40.2
121.06528	17.4
129.06952	23.5
131.08569	35.5
133.10132	55.0
134.43968	19.0
143.08669	29.7
149.02365	24.3
149.11629	19.2
161.09673	23.8
171.11716	18.9
193.04944	30.3
200.20041	27.3
211.13243	18.5
227.97670	15.9
230.27367	17.8
316.28549	39.8
459.27478	50.3
617.04852	19.0
621.32001	54.1
621.48157	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	622.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
65.03930	0.9
67.01862	0.8
68.99783	3.1
69.78141	2.5
70.06608	0.9
79.55123	0.8
83.04974	1.3
91.60609	0.6
93.03437	0.8
94.84525	0.6
97.02882	1.3
100.32262	0.6
107.04909	0.7
109.02889	1.1
111.04430	2.8
121.02900	0.9
123.04424	12.0
125.02282	0.7
131.05002	0.7
135.04401	8.8
139.03900	100.0
145.06529	1.0
147.04439	1.4
151.03888	4.5
153.07083	0.8
159.04413	1.1
161.05920	1.1
163.03903	12.2
165.05515	0.7
173.06012	1.4
175.03925	1.3
179.03389	8.7
181.04980	0.8
181.06462	1.9
185.06030	1.6
187.03932	2.6
189.05473	4.2
191.03487	0.7
197.06015	1.3
199.04002	0.9
201.05527	1.7
203.03334	4.1
209.05940	1.1
213.05435	3.7
215.03448	2.6
217.04927	3.5
221.31966	0.7
227.06963	1.5
229.04913	3.2
237.05478	1.6
241.04932	1.7
245.04485	8.8
250.92297	0.6
255.06560	5.4
257.04504	2.7
259.05991	5.7
265.04904	1.2
269.04330	4.1
271.05981	4.2
273.07547	1.4
281.04462	0.7
283.06003	19.0
287.05499	14.5
291.08698	0.9
299.05484	9.0
301.07053	15.3
311.05472	2.4
411.10645	1.7
421.09113	12.4
421.62711	0.7
433.09439	1.2
439.10242	21.8
451.10361	1.5
591.14941	7.0
622.23163	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	621.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67096	3.2
53.03943	6.4
55.01876	8.1
55.05509	44.4
57.03426	12.3
61.02928	6.3
67.05503	49.5
67.17365	3.0
69.03433	29.7
69.07054	14.9
70.06576	2.9
71.04996	5.3
71.39179	3.8
76.48545	3.3
79.05069	4.6
79.05492	47.5
81.03421	34.2
81.07059	39.0
83.04988	9.2
83.08620	22.1
85.02893	12.1
91.05482	37.8
93.07052	24.9
95.04964	7.9
95.08598	14.9
97.02899	15.4
97.06518	3.6
97.10167	36.5
99.04465	7.9
103.05469	12.3
105.07025	32.8
105.40067	3.0
105.98679	2.8
107.04995	6.7
107.08578	24.6
109.02847	7.7
109.10140	11.1
111.08096	3.5
114.52541	2.9
115.05439	9.8
117.07011	43.9
119.08600	15.6
121.06500	6.4
121.10112	7.7
125.09630	37.6
127.03916	10.1
128.06183	7.7
129.06978	26.3
131.04964	3.4
131.08577	34.2
133.06482	3.8
133.10112	10.4
135.08049	12.5
141.06984	10.9
143.08539	18.0
145.06485	8.2
145.10114	13.9
147.08008	7.9
147.11682	8.0
149.09601	8.2
153.09126	5.5
155.08536	15.0
157.06494	3.1
157.10150	8.0
159.11723	6.6
163.11136	3.8
165.06926	3.7
167.08598	4.7
169.10136	11.6
171.08000	7.6
171.10214	4.5
171.11682	8.4
173.04509	7.3
173.09547	4.3
173.13208	3.5
181.10072	5.7
185.09610	3.6
187.11238	3.9
187.14827	13.3
189.11243	18.4
195.08041	4.8
195.11754	9.0
197.13217	16.2
199.11200	5.9
211.13286	4.9
213.12892	3.3
215.14313	60.4
221.13210	6.6
225.12717	3.5
227.12685	19.9
231.13692	3.5
239.14339	4.8
241.12370	4.2
259.13257	5.2
269.15070	3.7
271.16901	4.0
277.53027	3.2
312.34244	3.8
313.25635	3.5
349.21640	14.4
357.24295	4.5
367.22528	31.2
385.23682	32.0
403.25107	6.0
428.19125	3.6
441.26395	67.3
459.27448	100.0
477.28693	7.5
603.31250	7.7
621.32397	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.49616	0.2
69.28658	0.5
69.29064	1.7
83.08633	0.2
85.62009	0.2
91.05437	0.3
95.04949	0.2
154.48001	0.2
195.09071	0.3
209.10745	0.3
221.10956	0.4
223.12314	0.6
235.08673	0.4
235.12329	0.3
249.10226	0.3
299.13898	0.3
310.13361	0.3
357.61490	0.3
373.14401	0.5
374.15445	0.6
375.16199	1.0
383.25528	0.3
386.15933	0.3
387.16272	0.6
388.16998	1.0
389.17682	2.4
390.18427	1.4
391.19443	0.6
401.17914	1.4
402.14365	0.5
402.18600	1.1
403.15265	0.6
403.19522	4.1
404.20102	2.3
405.20731	2.7
415.19318	0.9
416.16138	1.0
416.20148	1.2
417.16205	3.6
417.21222	1.8
418.17535	0.8
418.22266	0.5
419.22430	6.6
420.23007	0.9
429.17026	0.8
430.17221	1.4
431.18198	7.3
432.19037	2.2
433.20209	2.6
443.18466	0.8
444.19888	0.5
445.20160	5.9
446.21014	6.2
446.26614	0.4
447.21771	9.4
448.22467	0.8
457.20566	0.4
458.21353	0.5
459.17285	1.0
459.21930	2.4
460.18164	0.3
460.23050	0.8
461.19525	1.6
463.21454	0.5
473.19510	1.1
473.23914	1.0
474.20361	5.7
475.21277	8.7
476.21924	0.5
478.23837	0.3
487.21399	3.4
488.22092	1.0
491.20166	2.0
501.23050	2.0
502.23917	0.4
505.21875	0.4
505.26257	1.0
517.22369	0.4
518.23444	0.7
519.20819	0.8
529.22473	0.5
533.25568	13.8
534.25360	0.6
546.22766	0.5
561.24957	21.1
562.25287	0.8
565.27289	0.4
589.24133	0.6
593.27527	3.7
621.27081	100.0
622.27435	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	620.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	5.0
55.05511	51.7
57.03420	2.8
62.81364	2.0
67.05506	24.5
69.03441	10.2
69.07075	10.9
69.43872	15.8
70.06603	2.2
79.05497	25.6
81.03432	3.3
81.07061	18.5
83.04970	6.7
83.08627	39.2
85.02892	2.4
85.06528	2.7
91.05461	8.0
93.07040	9.6
95.08632	3.5
97.10174	88.1
98.21485	2.7
101.09685	2.2
105.07017	2.6
107.08586	26.3
109.10145	4.6
111.08028	4.7
117.06992	2.3
125.09632	76.4
128.33316	2.0
131.08693	2.0
133.10074	3.6
135.08041	6.6
143.10687	3.6
153.09113	22.7
163.07407	2.3
163.11597	2.0
171.10187	7.1
189.09897	1.8
189.11224	48.2
214.86487	2.0
227.12799	100.0
243.47173	1.9
245.13847	8.6
268.60037	2.4
305.17624	2.9
311.51306	1.8
341.16962	2.0
379.21188	8.0
397.22205	60.1
415.23279	74.5
416.23550	2.1
549.30975	11.0
567.31720	29.6
585.32635	27.0
620.18201	7.4
620.34143	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	619.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01888	2.3
55.05516	14.7
57.03432	5.0
57.07074	2.9
58.17801	2.0
65.03929	2.9
67.05505	56.9
69.03434	28.3
69.07069	15.2
71.49825	2.4
79.05495	29.7
81.03424	20.6
81.06594	2.6
81.07061	31.5
83.04977	7.6
83.08611	7.7
85.02905	4.5
87.04474	2.6
91.05482	24.8
93.07050	28.2
95.04961	7.2
95.08608	100.0
97.02895	5.2
97.06528	7.2
103.05476	2.4
105.07038	23.6
107.04984	3.0
107.08602	18.3
109.02840	3.6
109.06528	5.3
109.10148	7.4
111.04457	6.4
111.08100	2.8
115.05446	2.6
115.56371	1.8
117.07020	11.8
119.08584	17.4
121.10147	10.8
123.08070	11.5
123.11718	3.8
123.45071	1.7
125.09606	2.4
127.03899	2.9
129.07008	7.6
131.08537	13.2
133.06465	2.5
133.10156	10.3
133.11003	1.7
134.78247	2.1
135.08043	4.5
135.11684	6.2
137.68069	1.8
141.07014	2.6
141.09097	5.0
143.08562	8.4
145.06490	4.0
145.10144	13.6
147.07999	2.5
147.11690	8.2
149.09607	3.8
149.13306	2.6
150.13350	1.9
151.11107	2.0
155.08505	4.5
157.10089	7.0
159.08125	2.7
159.10175	7.2
159.11690	6.8
161.09682	4.1
161.13210	4.3
163.11261	2.0
169.10123	3.4
171.11676	7.3
173.13263	4.0
175.11182	3.1
177.12692	2.3
181.10104	2.7
181.12135	2.0
183.11685	5.3
185.13269	4.7
187.11180	2.7
187.14801	2.3
191.10600	2.0
195.11786	3.7
197.13261	4.5
199.14795	2.7
209.13255	2.3
215.12741	14.3
249.68227	2.2
259.21033	2.0
261.22137	2.3
283.20511	2.6
285.13342	2.9
290.95740	1.9
301.21701	5.7
327.22867	2.4
351.23398	3.4
353.24762	2.4
369.24292	10.8
387.25626	3.6
443.27759	3.7
461.28900	4.0
533.34125	2.5
583.35858	4.6
601.37488	6.7
619.17590	4.5
619.38452	37.9
638.84357	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.3
53.03936	6.1
54.52810	2.1
55.01863	6.6
55.05269	4.2
55.05510	49.2
57.03444	2.7
57.07062	11.0
57.52522	2.5
59.04985	4.0
65.03930	3.9
67.05500	35.3
69.03437	13.7
69.07067	24.7
69.36418	11.3
69.36842	7.8
71.04993	14.1
71.05317	2.4
79.05491	41.9
80.06299	2.6
81.03406	2.2
81.07059	58.6
83.04977	18.9
83.08616	64.1
85.02896	2.9
85.06531	8.3
87.04503	4.7
91.05478	59.3
93.07040	73.1
95.04971	37.9
95.08607	35.9
97.06524	24.9
98.20786	5.3
99.04451	5.2
103.05473	5.0
105.04516	3.8
105.07030	100.0
107.04958	8.4
107.08594	71.2
109.06529	15.5
109.10159	33.8
111.08083	7.8
113.09641	10.8
113.51070	2.4
115.05451	8.6
116.06221	2.5
117.07009	24.3
119.06107	2.7
119.08581	93.1
120.09365	5.9
121.06512	14.7
121.10144	55.7
122.33978	2.3
123.08049	26.4
123.11695	9.3
125.06033	2.9
125.09644	21.8
128.06219	14.8
129.07007	23.2
130.07770	9.0
131.08568	55.2
132.09375	5.0
133.06552	3.5
133.10138	58.7
135.08061	14.1
135.11687	15.3
137.09601	9.4
139.11159	15.3
141.06950	7.0
142.07791	29.8
143.08559	52.0
144.09328	14.9
145.06474	7.0
145.10124	75.4
146.10941	4.2
147.08051	14.5
147.11684	22.9
149.09624	13.8
149.13217	5.2
151.07552	4.3
151.11111	4.1
153.06950	2.9
154.07738	3.7
155.08582	22.1
155.10661	11.1
156.09348	26.2
157.10123	67.2
158.10889	11.8
159.08046	17.9
159.11685	45.5
160.08858	11.6
161.09644	17.9
161.13290	9.2
163.11139	6.6
165.07002	7.0
166.07790	4.5
167.07297	2.3
167.08575	16.3
167.10670	20.1
167.14357	3.5
168.09337	8.9
169.10115	36.6
170.10948	11.3
171.08060	3.5
171.10269	4.1
171.11682	38.3
172.12442	2.7
173.09615	8.6
173.13257	25.2
175.11194	11.2
175.14771	6.2
177.12700	6.3
179.08559	14.1
179.14258	6.4
180.09344	8.7
181.10168	19.5
181.12215	26.9
182.10890	12.4
183.11647	27.0
184.07375	5.3
184.12454	7.4
185.09669	7.8
185.13225	25.3
186.14021	5.8
187.11223	7.2
187.14836	11.9
189.12715	7.9
191.14276	11.7
192.09343	5.5
192.18324	2.9
193.10139	14.2
194.10951	12.1
195.11688	31.4
196.12526	12.7
196.14087	2.6
197.09619	4.7
197.13255	42.4
198.10365	3.6
198.13992	4.6
199.11133	8.9
199.14790	17.0
200.15718	2.9
201.12741	5.5
201.16382	4.8
203.14259	8.0
205.10207	4.3
206.10869	8.5
207.11694	16.7
207.13672	4.8
208.12440	9.5
208.14409	3.9
209.13295	27.4
209.15250	3.3
210.13950	6.7
211.11229	6.0
211.14806	22.0
212.15471	2.6
213.12773	8.1
213.16415	7.1
215.14297	17.7
216.09264	2.7
216.15138	2.8
217.10144	2.8
217.15866	4.3
218.10841	3.4
218.16698	3.3
219.11668	6.7
219.17494	2.7
220.12407	5.9
221.13219	16.1
221.15373	18.6
222.13940	5.9
223.14780	16.0
224.15378	5.1
225.12666	6.3
225.14824	9.4
225.16629	3.7
227.14381	8.0
229.15822	5.0
230.11014	2.9
231.11725	4.5
231.17441	5.2
232.12460	3.1
233.13177	9.3
233.15341	44.3
234.13976	3.8
234.16086	3.0
235.14809	13.3
237.16406	9.6
239.14307	5.4
239.18022	5.2
241.15947	3.9
241.19359	2.9
245.13348	5.4
245.15465	3.8
246.16205	3.2
247.14839	7.0
247.17039	5.9
249.16428	7.9
250.17303	4.2
251.14151	2.8
251.17969	5.3
253.15857	3.9
255.17424	33.5
257.13177	2.7
257.18954	3.3
259.14780	5.6
259.20151	2.6
261.16318	7.9
263.17969	5.9
265.19568	5.2
267.17389	4.7
268.18088	4.1
269.19168	4.0
270.19769	8.7
271.14633	3.7
271.20535	5.2
273.16113	4.7
273.18756	5.5
275.17880	6.0
277.19492	5.7
279.17648	3.4
281.18979	6.0
282.19885	2.8
283.20547	4.7
285.18610	4.1
286.19208	5.6
287.20132	4.7
289.19522	3.3
293.18964	3.9
295.20544	4.9
299.20114	7.2
303.20847	3.6
307.20355	2.8
309.22156	3.5
311.20087	3.9
317.19113	3.4
325.21902	4.5
333.22186	2.9
337.25232	8.5
347.23563	4.1
360.24414	2.7
365.24658	6.8
367.26282	5.5
383.25992	12.4
415.30371	3.1
417.27747	3.9
429.31415	3.9
457.31192	4.5
499.15140	4.9
500.15347	5.5
532.37512	2.7
559.16754	8.3
582.39679	3.9
600.40710	4.0
618.17816	20.0
618.42505	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	618.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.8
55.01867	5.0
55.05508	46.2
55.38692	2.4
57.02696	2.3
57.07073	12.3
58.06551	2.8
59.04994	4.4
59.89157	2.6
65.03921	4.7
67.05507	35.5
69.03437	17.2
69.07063	23.6
69.21461	26.2
71.04987	11.1
71.08630	5.4
79.05493	40.6
81.06590	4.2
81.07053	52.4
81.19339	3.2
83.04987	22.8
83.08616	67.6
85.02911	3.0
85.06509	8.1
85.10182	8.2
87.04454	6.5
89.06029	21.2
90.06343	5.5
91.05473	56.9
91.06374	2.7
92.94269	2.6
93.06489	4.0
93.07043	68.3
95.04961	26.6
95.08604	38.9
97.06522	28.1
99.04462	5.6
100.44948	2.6
103.05490	6.9
105.07029	92.9
106.07821	3.8
107.04961	8.5
107.08595	72.2
109.06516	14.5
109.10159	31.9
111.08080	6.8
113.09637	11.6
115.05433	8.5
116.06246	3.2
117.07016	24.1
117.09077	2.9
119.08582	100.0
121.06516	12.4
121.10147	65.2
121.11015	2.4
123.08073	24.7
123.11694	10.2
124.98269	2.8
125.09657	23.5
128.06219	14.4
129.07001	22.3
130.07764	10.6
130.08644	4.5
131.08559	51.2
132.09354	6.0
133.06493	4.6
133.08580	10.5
133.10124	58.0
134.08904	4.5
135.08057	15.1
135.11679	14.3
137.09596	4.6
139.11205	14.0
141.06932	12.4
142.07759	32.3
143.08554	48.5
144.09329	17.3
145.06476	5.0
145.10118	82.5
146.07246	3.9
147.08081	17.7
147.11696	26.1
149.09618	19.8
150.42537	2.5
151.07535	4.2
151.11241	2.9
153.07034	4.2
154.07750	3.9
155.08568	28.9
155.10603	15.2
156.09349	21.9
157.10126	68.1
158.07286	3.1
158.10869	11.1
159.08040	15.4
159.11703	36.2
160.08830	15.4
161.09613	17.7
161.13237	3.8
163.11143	8.0
165.06969	5.7
165.09151	4.2
166.07797	6.4
167.08562	11.3
167.10669	23.7
167.14343	3.0
168.09268	6.0
169.10121	36.3
170.10884	13.7
171.08054	4.0
171.10144	6.8
171.11662	43.2
172.12437	4.1
173.09627	12.3
173.13281	18.1
174.10451	3.6
175.11186	16.2
175.14812	3.8
177.11282	3.8
177.12724	6.0
178.11652	3.3
179.08588	14.5
179.10634	2.9
179.14326	10.1
180.09286	7.9
181.10135	19.8
181.12222	31.9
182.10956	15.8
182.12347	3.8
183.11694	30.4
184.12485	7.6
185.09608	5.8
185.13228	25.5
186.13959	4.3
187.11148	9.1
187.14796	10.3
189.12764	7.7
190.13489	3.5
191.14328	11.1
192.09213	3.9
193.10126	17.0
193.11836	3.0
194.10909	9.7
195.11702	33.6
195.13564	4.6
196.12498	12.8
197.09554	5.0
197.13246	45.0
198.14006	5.8
199.11119	6.2
199.14824	19.4
201.12730	3.7
201.16351	4.9
203.14328	8.3
205.10069	5.7
206.10864	7.2
207.11690	20.2
207.13773	9.9
208.12447	6.2
208.14438	5.6
209.13231	22.1
209.15289	6.7
210.13974	8.2
211.11200	5.3
211.14821	23.0
212.15538	5.0
213.12733	8.5
213.16417	6.1
215.14317	23.7
217.15862	7.1
217.80119	2.7
218.10995	3.3
218.16617	5.1
219.11717	8.7
220.06961	2.9
220.12531	3.5
221.13225	16.3
221.15346	20.5
222.14064	4.0
223.14816	17.0
224.15424	2.7
225.12680	5.5
225.14842	20.5
225.16646	2.7
227.14316	8.0
231.11603	5.8
231.17412	6.7
233.13197	11.8
233.15364	40.8
234.13972	4.5
234.16150	4.8
235.14760	14.1
235.16844	4.7
236.15523	2.9
237.12741	3.9
237.16522	11.8
239.14433	5.0
239.17978	5.6
241.15907	4.1
243.13925	3.3
245.13158	5.8
245.15450	4.1
246.13977	4.3
246.16220	4.4
247.14832	7.8
247.16978	6.3
248.15619	4.1
249.16388	14.5
251.18002	6.1
253.16110	2.7
253.19565	4.7
255.17459	41.1
257.18942	3.1
258.14041	5.3
259.14722	3.8
261.16409	10.7
263.17975	10.0
265.16199	2.7
265.19537	7.0
267.17538	7.0
268.18240	4.7
269.18890	5.7
270.19708	10.1
271.20496	7.6
273.18689	6.1
275.17719	6.1
277.19455	4.3
281.18893	5.6
283.20471	4.4
285.18741	5.4
286.19339	3.7
287.20224	4.1
289.19418	7.2
291.20627	3.7
293.18985	4.3
295.20520	6.4
297.18854	4.0
299.20093	9.2
309.22223	4.3
311.20114	4.4
315.21075	3.5
327.20871	4.3
331.24149	6.4
333.22098	3.4
335.23474	3.6
337.25269	9.9
343.24005	2.8
345.22006	3.6
347.23618	6.3
349.25278	3.8
360.24582	3.5
365.24796	13.2
367.26099	7.3
373.25232	3.5
383.25775	14.6
401.28378	3.3
419.63959	2.6
428.82190	2.9
429.31400	4.6
457.31030	3.8
499.14926	3.7
500.15274	8.2
559.16779	11.4
567.38281	4.1
600.41272	4.7
618.18213	17.6
618.42480	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01864	3.2
55.05509	32.7
57.07082	12.6
59.04989	4.7
63.76530	1.3
65.03928	3.1
67.05502	28.5
69.03426	9.9
69.07073	11.3
69.07395	2.3
71.04985	5.0
71.08601	2.2
71.20631	3.5
77.03922	1.9
79.05490	28.0
80.06261	2.0
81.03426	1.9
81.06594	2.6
81.07053	42.6
83.04982	11.3
83.08154	2.5
83.08619	40.3
85.06532	8.5
85.59817	1.4
87.04453	4.7
89.06036	4.0
91.05477	38.7
93.06488	3.1
93.07045	49.6
95.04969	23.2
95.08605	35.8
97.06523	16.8
99.04438	5.5
103.05479	1.5
105.03431	1.7
105.07030	71.6
106.07820	2.6
107.04991	3.2
107.08591	40.1
109.06514	12.6
109.10170	13.4
111.08071	5.0
113.05968	1.8
113.09621	5.3
115.05457	5.3
116.06239	2.1
117.07016	17.3
119.04935	2.0
119.08582	66.7
120.09342	3.8
121.06512	10.0
121.10141	26.7
122.07234	1.8
122.10958	1.8
123.08061	21.0
123.11661	2.3
125.05995	5.4
125.09615	11.8
128.06186	7.6
129.07022	18.5
130.07762	5.7
131.08565	43.1
132.09308	5.7
133.06496	4.2
133.08585	2.5
133.10135	31.1
134.10803	2.0
135.08054	16.8
135.11691	11.3
137.05931	3.0
137.09662	9.2
139.11189	6.5
141.07024	7.8
142.07773	18.1
143.07507	3.1
143.08560	34.7
144.09375	11.9
145.06432	3.9
145.10127	56.3
146.10849	2.8
147.08044	21.4
147.11710	10.9
149.09608	12.2
151.07515	12.9
151.11183	3.4
151.59222	1.5
152.06192	1.8
153.06969	2.4
154.07774	3.7
155.08574	11.3
155.10632	6.5
156.09346	16.9
157.10124	56.7
158.07202	1.8
158.10899	9.7
159.08095	9.4
159.11690	31.4
160.08856	10.8
160.12346	1.6
161.09634	13.0
161.13216	5.4
163.11172	13.7
165.06992	5.4
165.09105	28.4
166.07826	2.5
167.08598	7.8
167.10675	6.6
168.09335	5.2
169.10107	21.0
170.10893	9.0
171.08035	2.1
171.10294	2.5
171.11685	27.6
172.08826	2.6
172.12418	8.1
173.09622	10.0
173.13232	10.4
175.11194	14.7
175.14803	3.0
177.09047	2.6
177.12772	3.3
179.08525	6.1
180.09323	3.9
180.11432	2.1
181.10152	11.7
181.12221	18.0
182.10847	7.2
183.07985	1.8
183.11694	19.7
184.12444	3.5
185.09555	3.5
185.13242	14.1
187.11102	7.7
187.14780	4.4
188.11897	2.2
189.12721	8.3
190.13509	7.4
191.10645	2.5
191.14284	7.2
192.09346	2.4
193.10107	5.4
193.12224	8.0
194.10913	5.9
195.11726	13.8
195.13574	2.7
196.12488	6.3
197.09593	3.4
197.13277	17.4
198.10313	2.4
198.13748	2.2
199.11174	7.3
199.14803	5.2
200.11969	3.0
200.15340	1.7
201.12737	6.5
203.10712	1.7
203.14302	16.8
206.10817	3.5
207.11673	7.5
207.13806	10.6
208.12555	3.5
208.14551	14.2
209.09712	1.9
209.13269	15.3
209.15219	3.4
210.14014	3.5
211.11165	3.1
211.14806	10.8
213.12717	6.9
213.16396	2.8
215.10619	2.2
215.14305	5.0
219.11806	3.4
219.13835	5.3
220.12399	4.1
221.13229	8.2
221.15324	65.8
222.13934	2.3
222.15881	2.1
223.11082	2.4
223.14787	6.9
224.15540	2.7
225.12694	4.1
225.14815	11.1
225.16644	3.8
227.14275	3.8
227.17868	2.8
229.15913	3.4
231.13780	5.3
233.13293	3.7
233.15378	18.0
234.14047	2.6
234.16106	16.5
235.14735	6.8
235.16878	2.3
237.12729	5.8
237.16379	4.9
239.14191	3.8
241.15817	2.6
245.15396	2.3
246.13969	3.5
247.14748	3.0
247.16933	13.0
249.16403	4.2
251.17792	3.3
253.15884	3.6
255.17375	4.3
259.16977	3.6
261.16290	3.7
263.17795	2.9
265.15747	2.1
269.18835	3.2
271.16882	5.6
273.18625	3.1
274.19321	3.9
279.17273	2.8
281.18845	3.0
283.16940	2.1
285.18591	3.9
286.19293	8.1
287.20065	50.3
287.23209	2.5
297.18478	3.2
299.20224	13.7
300.20911	2.4
303.19479	4.5
309.18591	2.1
310.19284	2.9
311.20081	3.3
312.20740	4.7
313.21521	3.8
319.20712	2.0
323.20300	1.6
325.21609	12.8
329.21045	5.9
337.21490	10.8
339.23105	6.9
351.23370	1.8
352.23981	83.2
353.24475	5.5
365.24811	16.3
367.26196	5.5
377.24353	2.1
391.26175	2.4
395.25775	6.8
438.31259	3.6
446.30014	2.5
457.30951	2.0
472.31619	5.8
477.35754	5.9
499.15512	1.8
500.15344	2.7
520.35577	2.2
525.35687	12.6
538.36530	100.0
559.16400	2.8
600.41638	3.8
618.17926	6.7
618.42621	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.5
53.03928	7.6
55.01855	5.7
55.05509	55.4
56.47144	1.9
57.07077	9.0
65.03938	5.5
67.05505	29.0
69.03428	13.0
69.07063	16.6
70.21196	7.5
71.04996	10.8
77.03915	2.3
79.05487	42.1
80.06272	2.3
81.07053	53.6
83.04974	21.0
83.08619	65.0
85.02920	1.8
85.06533	6.4
87.04461	6.3
87.13622	1.7
91.05481	60.2
93.07044	67.7
95.04963	28.8
95.08609	37.3
97.06525	25.3
97.10185	3.5
99.04418	7.1
103.05441	5.5
104.10715	3.0
105.04498	2.0
105.07030	100.0
106.07843	2.5
107.04930	8.7
107.08589	71.6
107.09309	3.9
109.06525	18.4
109.10157	32.0
111.08074	8.9
113.06000	3.8
113.09643	13.0
115.05421	8.9
116.06192	3.7
117.07026	28.7
119.08579	90.8
120.05740	1.8
121.06506	14.8
121.10142	60.5
123.08070	20.1
123.11697	6.2
125.09631	20.0
127.11195	2.3
128.06195	12.5
129.07001	21.1
130.07809	9.2
131.08560	56.4
132.09320	5.9
133.06447	6.0
133.10132	51.4
134.10934	2.8
135.08057	15.2
135.11707	12.6
137.09605	8.6
139.01938	2.0
139.11195	14.8
141.07004	12.0
142.07785	27.8
143.07394	1.9
143.08546	51.2
144.09366	11.9
145.06502	7.2
145.10126	75.5
146.10863	4.0
147.08040	12.8
147.11679	26.8
149.09624	14.8
149.13278	3.4
151.07582	5.5
151.11133	2.3
153.07037	4.5
153.09047	2.2
154.07777	4.0
154.38957	1.9
155.08546	23.2
155.10625	14.2
156.09344	24.3
157.10129	74.8
158.07240	2.5
158.10966	9.7
158.12065	2.4
159.08057	19.3
159.11697	40.0
160.08838	13.9
161.09636	15.3
161.13257	6.9
163.11156	9.3
165.06987	9.7
165.12773	3.4
166.07712	2.3
167.08597	14.9
167.10669	23.1
167.14268	3.5
168.09331	8.4
168.11484	2.9
169.10109	37.5
169.12277	2.6
170.10889	12.2
171.08038	3.0
171.10239	2.6
171.11664	35.4
172.08856	2.7
172.12514	3.8
173.09673	11.7
173.13268	20.7
174.13988	2.3
175.11147	9.2
175.14757	2.7
177.12714	3.5
179.08606	15.0
179.14284	6.9
180.09311	8.4
181.10100	20.9
181.12222	25.1
182.10852	14.3
183.07942	2.0
183.11702	27.2
183.13374	3.7
184.12405	4.7
185.09662	4.8
185.13264	23.3
186.10347	2.2
186.13992	4.8
187.11220	9.1
187.14827	9.8
189.12744	6.0
190.13484	3.4
191.08553	3.0
191.14244	12.5
192.09457	4.5
193.10123	17.1
193.11995	2.9
194.10893	11.9
195.11696	29.8
195.13513	3.8
196.12459	11.1
197.09608	2.8
197.11493	3.3
197.13245	39.8
198.14000	5.3
199.11206	5.9
199.14839	15.1
201.12700	5.9
201.16336	4.5
203.08673	2.8
203.14316	7.2
205.10068	5.5
206.10957	7.3
207.11652	17.0
207.13799	6.7
208.12425	10.2
208.14536	5.6
209.13303	27.4
209.15334	4.8
210.13960	6.4
211.11124	5.3
211.14816	17.5
212.11914	2.4
212.15480	2.8
213.12767	11.9
213.16370	7.5
215.14308	20.7
217.10150	3.3
217.15837	3.6
218.10956	4.6
218.16632	4.5
219.11800	9.3
219.13570	2.7
220.12439	6.1
221.13235	14.2
221.15372	23.5
222.14035	6.4
223.11258	2.8
223.14807	19.0
225.12741	7.3
225.14798	11.4
225.16476	5.6
227.14310	8.1
227.17894	2.4
229.10194	2.6
229.15848	2.8
231.11699	5.6
231.13771	3.0
231.17401	2.8
232.12411	3.6
233.13150	8.7
233.15340	45.8
234.13947	3.5
234.16035	2.5
235.14777	14.9
237.12688	3.4
237.16595	13.1
239.14317	5.1
239.17888	2.8
241.15901	4.7
245.13304	8.3
246.13910	4.5
246.16199	4.6
247.14761	8.2
247.16870	9.0
248.15488	4.4
249.16331	8.4
251.18007	6.9
253.15891	4.1
253.19284	4.4
255.17435	37.9
259.14838	4.6
261.16333	5.4
262.17142	2.5
263.14096	2.4
263.17944	5.5
265.16013	3.4
265.19434	5.3
267.17499	2.4
268.18314	2.1
269.19006	8.8
270.19781	7.1
271.17413	2.2
271.20468	6.3
273.16049	2.9
273.18515	7.3
275.17825	7.3
277.19489	4.5
281.19022	6.3
282.19846	5.5
283.20526	5.1
284.21362	2.6
285.18542	4.6
286.19208	5.4
287.17484	3.2
287.20157	4.8
289.19519	4.7
293.19141	2.3
294.19708	4.1
295.20468	4.7
297.22125	2.7
298.19180	2.1
299.20093	5.5
307.20657	2.7
311.20218	3.9
312.20990	2.7
319.20520	2.6
321.21738	2.3
325.21765	3.8
331.24176	3.0
333.22144	2.5
334.22852	3.7
335.23694	2.5
337.25241	5.0
345.22168	3.0
347.23563	5.0
349.25183	5.0
351.23026	2.3
360.24426	3.4
365.24786	7.7
367.26221	5.7
383.25793	15.7
399.27292	4.1
401.28360	4.6
414.28699	3.0
429.31390	2.4
439.29926	3.9
457.30869	3.0
499.14893	4.3
500.15622	6.0
559.16888	10.8
582.40686	3.0
600.41022	5.4
618.18134	19.7
618.43115	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	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01866	2.4
55.05322	1.9
55.05517	19.7
57.07074	9.6
59.05002	2.6
59.60211	1.8
65.03938	2.8
66.30860	1.9
67.05505	16.3
69.03445	11.3
69.07069	7.8
70.74979	4.1
70.75318	2.1
71.04985	5.4
79.05499	23.0
81.03359	2.3
81.07053	25.9
83.04970	8.0
83.08625	30.0
85.06545	4.0
85.90358	2.0
87.04471	14.6
91.05488	25.0
93.07043	31.7
95.04958	17.5
95.08619	24.2
97.06535	8.8
99.04469	3.6
99.49391	1.9
103.05497	2.8
105.07036	48.0
106.07854	2.4
107.08604	32.7
109.06537	12.0
109.10175	13.6
111.08105	4.6
111.42645	1.9
113.09663	4.5
114.70588	1.9
115.05441	3.6
117.07040	15.9
119.04933	2.5
119.08590	42.2
119.09457	2.3
120.09398	2.7
121.06520	6.7
121.10163	20.5
123.08071	15.4
125.05975	4.5
125.09632	5.2
128.06181	5.5
129.07010	12.3
130.07785	5.6
131.08572	28.7
132.09367	3.3
133.06427	2.6
133.10124	25.1
135.08089	11.2
135.11697	6.2
137.06052	3.0
137.09575	7.2
139.07594	2.1
139.11211	4.9
141.07005	3.6
142.07787	12.7
143.08554	26.0
144.09349	9.2
145.06496	3.4
145.10126	41.3
147.08069	17.8
147.11685	8.9
149.09613	8.1
151.07552	9.1
155.08571	10.0
155.10637	4.2
156.09349	9.5
157.10133	39.9
158.10892	7.8
159.08055	6.2
159.11687	20.0
160.08900	11.4
161.09676	10.9
161.13278	6.9
163.11171	6.4
165.09126	25.8
165.12697	2.6
167.08632	3.7
167.10548	1.9
168.09308	2.4
169.10133	13.8
170.10945	6.9
171.08014	2.4
171.10175	4.9
171.11694	16.4
172.08891	2.8
172.12498	6.8
173.09547	4.5
173.13243	10.5
175.11215	11.6
175.14836	2.4
176.11938	2.2
177.09190	3.1
177.12653	3.3
179.08592	4.1
179.14278	2.4
180.09175	3.2
181.10159	7.6
181.12228	14.5
182.10971	4.7
183.11734	12.3
183.13835	2.0
184.12537	4.1
185.13251	11.3
187.11227	5.6
187.14777	3.4
189.12746	9.2
190.13535	9.0
191.10612	4.0
191.14334	6.6
193.10167	3.6
193.12270	8.7
195.11751	12.1
196.12531	4.8
197.13211	14.7
199.11215	4.4
199.14844	3.1
201.12752	5.1
202.10631	2.0
203.14297	12.9
207.11816	3.7
207.13815	9.6
208.12729	4.0
208.14618	10.4
209.13234	8.2
211.11163	2.9
211.14838	8.2
213.12820	5.1
213.16228	2.3
214.13728	2.1
219.11807	2.5
219.13832	3.7
221.13341	3.9
221.15347	55.2
222.16017	2.8
223.14909	5.6
224.15503	2.5
225.12831	4.0
225.14845	12.8
227.14299	2.3
227.17870	2.3
231.13789	2.7
233.13287	3.1
233.15392	8.0
234.16177	17.7
235.14821	3.6
237.12802	6.4
237.16409	3.4
239.14368	2.8
241.12303	2.3
241.15808	2.7
247.14726	3.2
247.16959	12.0
248.15308	2.0
249.16374	3.4
253.15750	2.8
254.16772	2.5
265.15723	2.0
269.19006	3.9
273.18497	4.4
274.19232	4.5
281.18948	4.2
282.96179	2.1
286.19312	4.7
287.20068	53.0
288.20728	2.4
297.18542	3.8
299.20117	8.9
300.20792	3.0
303.19458	2.8
312.20807	3.9
313.21484	2.8
319.20599	3.7
325.21683	12.6
325.24933	2.6
329.21124	5.5
337.21652	8.2
339.23169	3.4
352.23975	72.4
365.24921	13.4
367.26379	4.1
391.26263	3.4
395.25867	7.8
438.31503	2.6
446.30341	2.6
472.31757	7.5
491.19327	2.1
520.35333	3.2
525.35742	11.6
538.36530	100.0
539.36859	2.7
618.42981	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05270	1.9
55.05511	24.1
57.03438	1.5
57.07080	10.0
59.04994	3.3
65.03925	3.1
67.02161	1.4
67.05507	12.2
69.03435	7.9
69.07059	6.2
69.80992	8.4
71.04976	3.3
72.36594	1.5
72.95703	1.4
79.05487	15.6
80.06234	1.5
81.07061	29.6
83.04981	9.5
83.08161	2.6
83.08620	35.9
85.06534	6.8
87.04462	11.5
91.05483	29.3
93.06485	3.0
93.07044	37.5
95.04967	20.1
95.08603	22.7
97.06549	9.9
98.21429	1.9
99.04435	4.3
103.05473	2.6
105.07031	53.7
106.07813	2.1
107.04957	3.3
107.07893	2.1
107.08598	34.8
107.87450	1.4
109.06531	12.9
109.10173	10.9
111.08051	4.7
113.09636	5.4
113.65738	1.6
115.05476	4.5
117.07037	11.2
118.07780	1.8
119.04956	1.4
119.08582	52.1
120.09388	3.3
121.06500	8.1
121.09328	2.2
121.10147	24.0
123.08077	19.5
123.11692	4.1
125.05981	4.3
125.09608	6.4
128.06219	6.4
129.07002	12.7
130.07768	3.1
131.08578	29.5
132.09317	1.9
133.06502	3.9
133.10139	29.8
134.10855	1.8
135.08070	14.6
135.11684	6.0
137.09605	12.0
139.07553	1.6
139.11156	6.4
141.06972	5.6
142.07787	14.8
143.08556	27.5
144.09375	13.0
145.06438	3.9
145.10126	48.3
146.10852	2.3
147.08047	19.2
147.11687	12.9
149.09639	10.5
151.07518	9.0
151.11212	2.1
153.06964	2.0
153.09102	2.1
154.07716	1.9
155.08521	12.0
155.10652	6.4
156.09358	9.6
157.08803	2.1
157.10123	44.0
158.10890	6.5
159.08067	11.0
159.11699	26.2
160.08846	10.3
161.09637	10.7
161.13240	5.5
163.11198	12.0
165.06998	3.5
165.09132	26.1
167.08530	4.8
167.10620	1.9
168.09340	3.1
169.10110	14.6
170.10915	6.5
171.10237	2.5
171.11656	20.7
172.12451	6.3
173.09622	6.9
173.13242	8.4
174.10339	2.1
175.11168	13.6
175.14842	3.0
176.11864	2.2
177.09134	3.9
177.12715	2.3
179.08540	4.9
179.14339	2.0
180.09297	3.4
180.11420	1.7
181.10109	9.7
181.12253	13.3
182.10881	7.0
183.11707	15.6
183.13387	1.7
183.13927	1.7
184.12428	3.5
185.09644	3.6
185.13240	11.5
186.13919	1.8
187.11189	5.3
187.14845	4.9
189.12740	6.3
190.13553	9.1
191.10664	2.0
191.14258	6.4
193.10161	3.8
193.12234	8.4
194.10840	4.8
195.11705	10.0
195.13678	1.7
196.12383	5.1
197.09698	2.0
197.13235	12.1
198.10310	2.1
198.14037	2.9
199.11169	6.7
199.14815	4.6
201.12746	6.2
203.14305	12.3
206.10956	2.1
207.11684	4.7
207.13799	9.4
208.12585	3.4
208.14584	11.0
209.09639	2.3
209.13293	14.8
209.15207	2.8
210.13991	2.4
211.11183	3.6
211.14861	7.4
213.12686	7.2
215.14363	3.6
219.11671	2.6
219.13774	4.7
220.12466	1.9
221.13277	6.4
221.15343	61.4
223.11264	2.8
223.14828	7.6
225.12740	2.2
225.14610	12.8
225.16736	2.5
227.14372	2.1
227.17905	2.7
231.13710	4.0
233.13283	2.9
233.15356	10.8
234.16113	16.7
235.14684	3.8
237.12762	6.4
237.16385	4.8
239.14218	2.1
241.15881	2.4
247.16982	12.3
249.16341	3.9
251.17787	2.4
253.15932	3.5
259.17032	1.9
261.16241	2.5
265.15988	2.8
265.19507	1.7
267.17368	2.6
269.19037	3.6
271.17035	3.6
273.18518	4.2
279.17377	2.7
281.18988	3.1
282.19525	1.7
285.18375	2.5
286.19238	6.7
287.20032	48.1
288.20627	1.8
295.20547	2.2
297.18573	3.2
299.20120	10.6
300.20868	3.4
303.19559	3.1
309.18448	2.5
310.19025	2.0
311.19980	3.6
312.20801	3.0
313.21423	4.3
319.20352	2.0
325.21655	11.1
329.21051	3.9
337.21548	10.1
339.23141	4.6
352.23959	77.9
353.24695	4.3
365.24854	12.4
365.48709	1.6
367.26376	4.8
378.25497	2.4
379.26276	1.7
391.26263	3.1
395.25772	5.1
438.31265	1.8
472.31772	5.2
480.32584	1.8
524.34747	2.4
525.35895	9.3
526.36548	2.1
538.36548	100.0
539.36188	2.7
559.16888	1.9
600.41589	2.1
618.42816	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	616.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45014	1.3
71.71115	0.3
78.31273	0.3
79.75892	0.4
87.39545	0.4
90.72675	0.3
167.31436	0.3
181.12000	0.6
197.31927	0.4
301.51886	0.4
466.72116	0.4
467.09210	0.8
468.10318	2.9
469.11053	1.2
470.11502	1.2
471.12708	0.9
481.11185	0.6
482.11908	3.3
483.12680	11.4
484.13293	1.2
485.14273	0.5
496.13535	1.6
497.14258	27.9
498.15024	37.0
499.15207	1.7
528.12311	0.5
542.14063	0.4
543.14337	0.7
557.16351	55.0
558.16699	2.0
616.17676	100.0
617.17944	4.3
631.39349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
57.07078	47.9
59.04999	15.5
69.03446	1.0
69.07076	3.2
69.20610	7.2
69.21017	2.1
71.08633	80.5
73.06555	4.3
81.07049	1.4
83.08620	1.3
85.10185	41.9
87.04471	11.3
89.06033	100.0
90.41127	1.0
92.18047	1.0
95.08630	1.6
97.06520	1.3
103.07578	6.1
105.07090	1.0
107.07096	1.7
107.08611	1.3
115.07529	1.1
117.09142	3.3
127.14840	6.4
130.08699	1.4
131.07048	5.0
131.56386	0.9
133.08606	74.8
169.08687	1.0
175.09645	4.0
177.11214	27.4
185.18974	7.5
219.12180	1.7
221.13828	5.5
229.21661	4.8
265.16476	1.7
273.48215	1.1
283.17487	1.4
309.19391	1.3
313.25241	1.2
371.23019	1.8
384.81766	1.2
397.24881	1.0
415.25336	9.0
459.28021	1.5
468.10196	1.6
482.11542	1.7
483.12286	5.2
484.13058	1.8
497.14246	13.5
498.15030	23.7
499.15390	3.5
557.16400	32.6
558.16766	3.4
599.43719	1.9
616.17743	52.0
616.46472	2.2
617.17963	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	615.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.05512	20.2
57.03439	6.7
57.07071	6.1
65.03938	1.9
67.05505	55.2
69.07068	23.6
71.04974	1.2
71.08633	2.2
79.05494	27.8
81.07059	56.3
83.04980	1.7
83.08622	13.9
85.06523	2.4
85.10179	1.6
89.06018	1.6
91.05489	19.9
93.07045	38.1
95.04975	2.5
95.08607	48.9
97.06536	3.7
97.10175	6.9
99.08097	2.1
103.33315	0.8
105.07031	22.0
107.08596	25.1
107.09311	1.4
108.15524	0.8
109.06570	1.1
109.10159	22.4
111.08090	1.6
111.11727	1.6
115.95900	0.8
117.07015	6.7
119.08588	22.8
121.10146	20.7
123.11717	10.2
123.85106	0.8
129.07011	3.2
131.04594	0.8
131.08568	16.0
133.08568	1.6
133.10130	19.2
135.11682	14.7
137.13268	3.8
139.11243	1.5
143.08582	4.1
145.10124	12.7
147.11703	11.1
149.13248	8.6
151.14789	1.4
155.08691	1.0
157.10152	1.9
159.11697	9.7
161.13283	7.4
163.11221	1.5
163.14780	4.3
165.16467	1.1
171.11674	2.8
173.13298	7.0
175.14819	5.2
177.12738	1.4
177.16362	2.2
183.11720	1.0
185.13272	4.0
187.14769	5.3
189.16397	3.8
191.17938	2.1
193.19623	1.2
197.13283	1.0
199.14853	2.7
201.16406	2.1
203.18015	1.4
205.19447	1.1
211.14702	1.1
213.16478	1.4
219.21094	1.6
229.19533	1.3
229.39328	1.1
233.18971	1.1
241.19603	1.8
243.21089	2.9
245.22771	1.9
247.24188	1.2
259.20624	3.9
261.22189	9.9
287.23828	0.9
317.24768	2.6
323.25824	1.5
333.24271	1.9
335.25742	9.9
337.27344	10.9
339.29086	2.7
361.27371	1.2
460.14539	0.9
523.45599	6.3
541.46222	3.3
545.41980	1.1
597.48761	15.0
615.49805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01884	1.1
55.05511	21.1
57.03436	6.0
57.07077	6.5
65.03931	2.9
67.05505	51.7
69.07066	23.1
69.25136	2.6
69.25562	4.3
71.04982	1.5
71.08630	2.4
79.05492	33.0
81.07053	57.4
81.66452	0.8
83.04969	1.7
83.08617	15.1
85.06548	2.0
85.10184	1.4
89.06032	1.0
91.04908	1.3
91.05478	21.1
92.94792	0.8
93.07041	41.2
95.04972	3.1
95.08607	50.6
97.06537	3.2
97.10171	7.7
99.08107	1.6
103.05441	1.2
103.29465	0.7
105.04552	0.9
105.07034	26.3
107.08596	26.6
109.06532	1.7
109.10152	24.1
111.08066	1.7
111.11744	1.7
117.07011	6.4
119.08577	22.3
120.19965	0.8
121.10142	24.6
122.42175	0.8
123.08108	1.8
123.11700	8.8
125.09637	1.9
129.07004	2.9
131.08568	15.2
133.10129	17.3
135.07988	0.8
135.11688	15.1
137.09612	1.4
137.13271	4.2
139.11209	0.8
141.06967	0.9
143.08524	4.0
145.10118	13.6
147.11694	13.3
149.13254	9.6
151.11226	0.9
151.14821	1.9
155.08580	1.4
157.10109	3.6
159.11714	8.7
161.13255	8.6
163.11203	1.1
163.12605	0.8
163.14824	4.9
165.16454	1.1
169.10164	1.1
171.11751	3.7
173.13269	7.3
175.14793	6.1
177.16475	2.1
183.11729	1.7
185.13303	2.9
187.14780	4.6
189.16357	2.2
191.17990	1.3
197.13280	1.5
199.14836	2.3
201.16411	3.2
203.17952	1.2
205.19537	2.2
212.08772	0.7
213.14709	1.3
213.16513	1.5
215.17976	1.6
217.19643	1.0
219.21040	1.4
229.19450	1.7
231.21156	1.6
233.19110	1.2
241.19559	2.1
243.21181	3.2
245.18925	0.8
247.20325	0.8
257.22607	1.0
259.20633	4.5
261.22156	9.8
263.23703	1.5
273.22183	1.0
275.23801	1.6
281.21127	0.9
285.22333	1.2
285.25482	0.8
287.23785	1.9
289.25226	0.9
297.24506	1.0
299.23721	1.2
301.25339	1.7
315.26849	0.9
317.24991	1.6
323.25900	1.0
325.27496	1.1
329.28766	1.1
333.24323	2.4
335.25803	8.4
337.27347	10.5
339.29071	4.3
351.29221	0.8
357.31552	1.1
385.34778	1.3
397.35413	0.9
491.37430	1.0
519.41168	0.9
523.45038	5.6
531.40399	1.0
541.46130	3.2
597.48724	13.3
615.49817	100.0
616.50293	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
57.03427	3.5
57.07079	100.0
58.04229	7.5
59.05005	35.6
67.05499	3.5
69.07079	5.0
70.68459	2.3
70.68805	1.5
71.04995	1.2
71.08633	73.2
71.65292	1.0
72.05801	6.2
73.02911	3.9
73.06554	7.7
77.16122	0.9
79.05493	2.1
79.48504	1.0
81.07049	3.4
82.07820	2.8
83.04918	1.3
83.08628	2.6
85.06556	1.4
85.10187	61.0
86.03674	1.0
86.07317	1.9
87.04471	9.2
87.08103	3.0
88.05250	1.3
89.06030	16.7
90.01920	23.2
91.05487	2.6
93.07057	1.8
95.04932	1.4
95.08612	2.1
97.10163	3.7
99.11737	12.3
101.06019	2.8
102.06811	1.4
103.07582	4.0
105.07030	2.5
107.08568	1.5
109.10164	3.4
111.11749	1.5
113.13313	5.0
115.07612	1.8
116.08328	2.0
117.07013	1.5
117.09142	9.7
119.08581	3.4
121.10112	2.1
123.08073	1.4
129.06993	1.3
130.09808	1.2
132.90630	0.9
133.08612	6.5
133.10139	1.6
135.11746	1.1
141.16341	1.5
143.08488	1.5
145.10068	1.8
147.10162	3.6
151.07594	1.4
152.15604	2.9
155.17931	7.3
157.10149	1.7
161.11792	1.3
165.09169	1.4
177.11252	2.3
178.07158	4.3
183.17438	4.3
185.13371	1.2
193.14294	1.7
197.13284	1.3
208.15459	3.0
212.21378	2.0
213.22112	14.0
221.15321	3.0
222.09753	6.1
222.17101	2.3
223.15324	2.9
231.11290	1.3
238.16486	2.0
239.14806	1.4
241.21657	1.5
253.16418	1.2
254.24600	1.2
266.12683	1.1
268.17654	1.2
271.26364	5.0
280.21201	1.9
281.19507	1.5
304.58655	0.9
311.20444	1.5
326.21332	1.7
328.16071	4.7
338.25293	1.4
348.23444	1.4
368.26031	1.1
376.34143	1.5
386.20364	1.4
451.15601	1.4
464.39563	8.9
508.41785	1.4
615.41382	2.3
616.17438	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	615.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
57.03425	5.3
57.07079	100.0
57.21154	1.5
58.02136	1.8
58.04210	6.4
59.04716	3.2
59.05003	61.3
61.19872	1.4
61.39736	1.4
67.05495	4.7
68.95432	1.5
69.03443	2.2
69.07057	6.0
71.08634	98.0
71.50772	1.6
72.05769	6.6
73.02908	3.9
73.06570	8.7
74.32475	1.6
79.05484	2.6
81.07048	6.7
82.07800	1.7
83.04961	3.3
83.08618	5.5
85.06544	1.8
85.10184	95.5
86.07332	3.0
87.04460	10.5
87.08097	3.8
89.06025	16.6
90.01915	30.6
91.05478	5.3
93.07039	4.5
95.04953	3.8
95.08627	7.5
97.06530	3.2
97.10179	3.3
99.08085	1.8
99.11748	9.8
100.08860	1.9
101.06007	1.8
101.09646	6.7
103.07582	7.1
103.11945	1.5
105.07019	7.1
107.07076	2.1
107.08582	4.4
109.10156	3.6
111.08080	2.2
115.07596	3.9
116.08316	2.0
117.09145	19.9
119.08582	6.4
121.01367	1.4
121.06538	1.8
121.10158	4.0
123.08048	4.2
125.06009	1.9
129.07028	1.6
131.08542	3.7
133.08649	8.0
133.10143	4.6
135.08087	2.8
137.09589	1.9
138.14067	3.7
141.15381	1.7
141.16338	8.4
142.07687	1.9
143.08543	2.3
145.10098	4.4
147.08034	2.1
147.10243	1.8
147.11670	1.6
149.09500	2.1
151.07541	4.9
157.10139	6.6
159.11667	3.4
159.15576	1.4
159.35980	1.5
161.09595	2.7
161.11668	2.7
163.11153	4.4
165.09129	6.9
169.15906	3.2
171.11670	3.6
175.14764	1.4
177.11266	3.9
178.07112	2.7
179.12820	2.3
181.10147	1.7
181.12228	6.5
183.11702	2.0
185.13208	2.0
198.19781	2.9
199.20607	18.1
202.90121	1.7
203.14240	2.6
207.13820	3.2
208.15561	2.0
221.15395	14.7
222.09698	3.3
237.14824	3.1
237.16991	2.5
249.16977	2.4
256.24045	2.0
257.24814	17.6
266.12543	2.1
284.13409	2.9
307.21652	2.0
312.20847	1.9
366.37479	2.0
402.85223	1.9
449.93439	1.9
464.39566	8.2
510.19925	2.7
523.34528	1.9
524.21338	1.7
524.41296	2.4
539.24188	27.1
597.38953	3.2
615.40009	15.4
616.16852	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	615.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36065	0.3
55.05522	0.5
57.07066	0.8
67.05484	0.5
69.07080	0.4
71.08636	0.8
81.07062	0.8
85.10200	0.4
87.04475	0.5
89.06038	2.0
90.01968	0.4
91.05479	0.4
93.07034	0.8
95.08626	0.4
99.23271	0.4
105.07042	0.7
119.08579	0.6
121.10162	0.6
131.08604	0.5
133.08626	1.0
133.10168	0.4
145.10138	0.4
147.11844	0.3
156.64407	0.3
165.09084	0.5
171.11725	0.3
176.30089	0.3
177.11244	0.5
268.65533	0.3
292.82520	0.3
495.18039	0.9
509.19601	0.9
510.20337	10.8
511.20911	0.5
524.21991	3.7
539.24200	100.0
540.24438	2.5
583.22943	0.6
615.25769	1.4
615.42664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94111	6.6
55.05512	18.3
57.03429	8.8
57.07089	33.4
59.04996	21.3
65.03280	7.7
65.44935	7.6
67.05501	36.4
69.03432	14.8
69.07059	24.2
71.08639	16.8
79.05512	37.6
81.07053	62.9
83.04993	13.2
83.08617	15.1
89.06024	31.6
91.05466	51.3
93.07047	57.7
95.04966	44.7
95.08601	54.9
97.06536	10.9
98.20773	21.5
105.07020	78.3
107.08621	40.9
109.06525	25.3
109.10166	27.8
116.06287	7.5
117.07021	17.1
117.09117	8.1
119.08580	55.8
120.08998	9.2
121.06508	23.0
121.10176	39.4
123.08065	50.5
123.11694	7.5
123.32972	7.6
125.05986	27.8
129.06989	18.8
131.08585	38.1
133.06528	10.1
133.08620	15.8
133.10132	43.5
135.08052	33.9
135.11757	10.2
137.09584	19.1
143.08615	36.5
145.10143	36.4
147.08078	38.6
147.11725	13.4
149.09628	18.2
151.07555	59.2
155.08502	17.5
156.09377	7.5
157.10175	44.1
159.11710	38.0
161.09662	14.9
161.13232	13.6
163.11192	25.0
165.07005	9.5
165.09111	65.6
168.09315	12.3
168.89761	6.4
169.10143	21.0
171.08122	8.3
171.11693	17.7
173.09648	18.9
173.13219	16.9
175.11292	7.0
177.09084	9.7
179.10674	6.4
181.10309	10.8
181.12222	44.2
183.11568	11.0
185.09656	9.8
185.13304	11.3
187.11143	16.0
189.12730	22.6
191.10677	8.7
191.14175	8.4
193.08450	10.7
193.10124	11.8
195.11678	11.0
197.13200	9.5
198.10542	8.0
199.11147	12.9
199.14925	11.3
201.12770	10.3
203.14377	21.6
207.13768	25.6
209.13269	12.8
219.13766	8.4
221.13370	12.9
221.15349	82.4
227.14284	10.3
231.13901	8.0
247.16954	8.5
271.16943	10.4
286.19196	9.1
287.19949	9.3
312.21002	15.5
313.21652	12.0
381.24045	10.1
407.25592	14.0
559.77295	8.0
597.39331	9.4
613.90973	9.3
615.40155	100.0
615.48853	43.2
616.17212	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	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	2.9
55.05512	18.1
57.03428	5.0
57.07068	4.3
65.03934	3.3
67.05507	49.3
67.30024	1.1
69.07072	19.2
71.08624	1.1
79.05494	29.6
81.07056	55.0
83.08615	9.7
84.27163	1.1
85.06551	1.5
91.05481	26.9
93.07047	33.8
95.04993	1.3
95.08607	42.7
97.06551	2.9
97.10180	4.2
98.20715	2.7
105.04536	1.7
105.07031	23.9
107.08590	22.0
107.10562	1.3
109.10157	19.6
111.08077	1.5
111.11685	1.2
115.05456	1.7
117.07021	9.7
119.08574	22.6
121.10145	18.7
123.11694	8.5
129.07001	4.2
131.08585	16.7
133.10139	19.2
135.11679	13.8
137.09605	1.3
137.13284	2.9
140.75661	1.1
140.77789	1.2
143.08557	6.0
145.10114	16.4
145.67046	1.3
147.11691	15.3
149.13298	7.2
157.10130	4.9
159.11693	14.2
161.13252	9.9
163.14807	4.0
169.10095	1.3
171.11705	5.6
173.13252	11.8
175.14861	3.9
177.16476	1.6
183.11720	1.8
185.13237	6.0
187.14810	6.3
189.16457	3.0
199.14915	4.0
201.16408	3.3
203.17987	1.5
213.16440	2.8
225.16365	1.6
229.19547	1.5
241.19589	4.2
243.21106	3.2
259.20569	9.0
261.22180	11.3
268.35416	1.3
275.23682	1.2
281.21436	1.2
285.22174	1.3
287.23743	1.9
313.25378	1.4
317.24878	1.6
333.24292	4.7
335.25769	15.2
337.27338	9.6
341.28281	1.5
503.36578	2.0
521.43347	6.5
539.44580	4.3
543.40222	1.7
577.46210	1.4
595.47162	11.1
613.48236	100.0
614.48212	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03952	3.0
55.05516	21.1
56.88272	1.5
57.03439	8.6
57.07067	4.5
65.03936	3.1
65.12522	1.5
67.05510	57.2
67.42032	1.4
69.07069	20.5
70.75443	4.8
71.05009	1.8
72.79113	1.7
79.05492	30.1
81.07059	60.7
83.04975	1.9
83.08615	11.7
85.06538	2.9
91.04924	2.0
91.05485	29.3
93.07053	36.8
95.05018	2.4
95.08609	54.3
97.06540	4.5
97.10170	5.5
98.20961	3.2
105.06394	2.6
105.07040	27.6
107.08598	25.1
107.27829	1.4
109.10175	24.7
111.08072	1.8
117.07011	11.3
119.08582	27.5
121.06492	1.8
121.10142	20.6
122.10538	1.3
123.11681	12.7
129.07056	5.0
131.08569	22.2
133.10143	25.5
135.11696	18.8
137.13278	3.5
143.08585	7.4
145.10118	18.9
147.11707	17.6
149.13272	11.2
151.14771	2.0
155.08563	1.8
157.10138	6.5
159.11713	16.7
161.13316	9.5
163.14854	4.0
169.10168	3.8
171.11662	9.2
173.13240	12.9
175.14845	7.0
177.16399	2.2
183.11679	1.6
185.13303	7.0
187.14862	9.5
189.16403	2.0
199.14870	4.4
201.16408	3.1
203.17989	2.0
211.14873	1.7
213.16457	2.6
215.18051	2.6
217.19641	1.8
227.18120	2.0
231.21123	1.7
241.19560	5.1
243.21039	3.1
258.67023	1.6
259.20502	7.8
260.70145	1.4
261.22186	13.7
281.21237	1.8
302.34488	1.5
317.24829	1.9
323.25400	1.8
327.26855	1.6
333.24313	4.5
335.25797	13.8
337.27316	10.8
337.46039	1.7
339.13358	2.3
453.07935	1.8
521.43420	4.5
539.44556	4.3
595.47144	9.7
613.48309	100.0
614.48676	3.0
639.23737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83659	0.9
55.01865	1.5
65.03927	2.2
69.37684	5.9
69.38091	1.9
70.06593	5.5
73.96158	1.1
76.24329	1.0
81.03444	1.9
81.07062	1.5
84.08139	1.9
84.54907	1.0
85.02909	3.1
86.09693	1.7
91.05472	2.5
93.03413	8.5
93.90151	1.3
107.08596	1.1
109.02883	1.9
111.04452	19.3
119.04939	6.1
121.02877	12.6
137.02354	1.8
139.03908	54.1
141.01782	1.1
145.02779	3.5
147.04378	1.6
149.02322	2.3
160.91483	1.1
163.03918	4.7
165.01852	11.7
167.03377	1.8
177.01863	1.4
181.04935	7.4
183.02910	1.9
187.03920	2.8
191.03450	2.0
216.47762	1.1
229.01328	1.3
229.05016	1.5
243.02924	2.6
255.06589	1.6
267.02869	2.1
267.06522	6.8
270.05283	2.9
271.06033	6.4
279.06516	2.5
281.08078	6.3
283.06024	100.0
284.06766	9.9
293.07986	1.9
294.05118	1.2
295.02844	0.9
295.06027	26.3
295.09467	2.4
305.07990	2.6
307.06049	2.6
308.06787	1.8
309.03882	8.8
309.07578	26.7
311.05536	2.0
313.07065	89.5
321.07648	2.2
323.05621	1.5
323.09183	16.9
325.07022	1.9
333.07562	4.2
335.05484	3.8
335.09079	1.5
337.03214	2.3
337.07092	34.0
337.11160	2.0
339.04996	1.9
339.08649	2.2
349.07126	13.3
351.08658	2.3
361.03610	1.1
361.07202	10.0
367.08127	19.3
379.08173	25.6
397.09250	18.6
403.08188	3.7
415.10291	47.1
416.09146	2.3
429.09799	3.1
433.09836	1.8
445.09161	2.1
453.09753	1.3
457.09201	1.7
463.10303	10.0
475.10321	14.9
493.11304	11.4
499.09976	2.5
517.11395	18.3
529.11237	1.5
547.11987	4.1
559.12103	3.4
577.13354	10.6
595.14587	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	613.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.8
57.78241	0.7
61.02917	1.1
65.03938	3.9
68.99796	1.3
69.90548	3.0
70.06590	4.5
72.08148	1.4
73.87607	0.6
77.25002	0.6
79.05468	0.7
81.03410	1.4
82.73559	0.6
84.08124	1.4
85.02891	2.5
86.09686	2.3
86.89691	0.7
91.05466	3.5
93.03404	9.6
95.04929	0.9
109.02882	2.4
111.04442	21.8
119.04942	6.5
121.02878	11.1
123.04389	1.9
129.10249	1.4
135.04370	1.0
136.07556	0.8
137.02347	1.9
137.05974	1.2
139.03897	52.5
141.01790	1.7
145.02818	2.8
147.04376	1.3
149.02342	1.9
151.29378	0.8
153.01845	1.2
163.03889	4.4
165.01819	11.0
165.52962	0.7
167.03406	2.3
177.01839	2.4
179.03455	0.9
181.04956	8.3
183.02838	2.4
187.03844	1.5
189.01839	1.3
191.03404	2.1
195.02907	2.5
203.03326	1.0
205.01247	0.8
205.05011	1.3
213.05435	0.7
219.02943	0.8
229.01262	0.9
229.05006	2.3
235.02391	0.9
239.06938	1.6
243.02853	2.6
247.02396	0.9
252.04045	1.1
255.06454	1.3
256.07391	0.7
261.04105	0.8
267.03223	1.5
267.06512	8.2
270.05200	3.6
271.05893	4.8
279.06488	1.4
281.08029	7.0
283.05991	100.0
284.06732	8.7
285.07178	0.8
287.05438	1.4
289.06738	1.4
295.06033	23.7
295.09409	2.2
297.04404	1.6
297.07605	2.6
299.05469	2.3
305.08011	2.6
307.06064	3.5
308.06769	2.4
309.03903	7.7
309.07544	25.8
311.05545	3.2
313.07040	87.1
314.07175	1.2
321.07562	2.6
323.05643	1.2
323.09091	17.4
325.07111	2.4
329.06509	1.7
333.07333	3.8
335.05472	5.6
335.09100	1.9
337.07019	27.4
339.04984	1.3
339.08618	2.0
342.67056	0.8
349.07022	14.8
351.08575	2.8
353.06638	1.6
355.07956	1.0
361.07025	10.7
363.04807	1.0
365.06439	2.0
367.08115	19.3
379.03250	1.6
379.08112	28.8
383.07855	1.1
387.08716	1.4
397.09216	22.7
403.08179	4.7
415.10229	44.5
416.09283	2.2
429.09735	2.9
431.09378	0.8
433.09744	2.7
443.11395	1.4
445.08932	2.5
451.10193	1.7
457.09097	2.2
463.10214	10.1
469.09015	1.2
475.10211	13.8
481.09247	0.9
493.11310	11.0
499.10110	2.8
512.01422	0.8
517.11316	25.6
529.11475	2.0
541.11023	2.7
547.12524	3.7
559.12292	2.9
577.13275	11.3
595.14459	7.5
613.15387	0.8
613.30176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68773	1.0
53.03951	3.9
55.01870	1.9
55.05509	18.4
56.40649	1.2
57.03444	5.3
57.07073	4.6
57.66698	1.2
57.68513	0.9
65.03939	3.3
67.05506	46.0
69.07073	18.7
71.05000	2.1
71.08631	2.4
79.05493	36.5
81.07056	45.8
83.05008	1.6
83.08624	8.1
85.06552	2.8
85.10188	1.7
89.06055	2.5
91.05478	31.1
93.07045	39.9
95.04990	2.5
95.08614	37.8
97.06551	2.9
97.10149	4.9
98.20705	2.1
99.08124	1.2
105.07030	35.9
107.08591	21.3
109.06522	2.0
109.10155	16.0
111.08080	1.7
115.05464	1.8
117.07016	14.4
119.08582	30.6
121.10146	14.3
123.08070	1.3
123.11705	7.8
125.09649	1.9
128.06210	3.1
129.06999	10.4
130.07808	1.8
131.08574	25.6
133.10133	23.0
135.11684	12.1
137.13290	2.1
141.06990	1.6
142.07793	2.4
143.08566	11.2
145.10129	21.2
147.11693	17.8
149.13260	8.4
155.08519	6.3
157.10127	14.2
159.11693	18.6
161.13261	16.1
163.14868	3.8
169.10141	8.8
171.11696	11.8
173.13257	13.2
175.14807	5.5
177.12675	1.2
177.16444	2.7
181.10141	2.2
183.11667	7.2
185.13229	9.7
187.14771	6.9
189.16437	2.2
193.10214	1.1
195.11774	2.6
197.13303	5.0
199.14825	7.4
201.16431	4.8
203.14360	1.2
209.13399	3.4
211.14902	4.2
213.16498	3.7
215.17995	3.4
223.14900	2.3
225.16423	2.6
227.18082	2.9
237.16374	1.4
239.18065	1.6
241.19626	10.2
243.21078	1.3
251.17899	1.2
257.19064	4.7
259.20590	16.6
261.22244	2.7
267.21213	1.8
285.22238	1.4
297.22223	1.8
311.23575	1.8
325.25244	1.5
333.24188	9.3
335.25873	15.7
337.27731	1.7
353.28482	2.6
449.34256	1.1
501.41446	1.2
503.37582	1.4
519.42169	6.3
537.42889	5.2
541.39117	2.2
575.44275	1.2
593.45636	7.6
611.46729	100.0
612.46869	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03936	2.5
53.62798	0.9
55.01859	2.0
55.05511	18.4
57.03427	6.1
57.07070	4.1
60.89688	1.0
62.01791	1.0
65.03949	2.3
67.05504	47.8
69.07063	16.2
69.92976	2.0
69.93389	4.3
71.04985	1.5
76.29340	1.1
79.05492	35.5
80.00446	1.1
81.07057	44.0
83.04958	1.5
83.08637	6.6
83.23019	1.0
85.06535	3.5
91.05479	34.0
91.06026	2.4
93.07044	36.5
95.04972	3.6
95.08606	37.4
97.06533	3.1
97.10173	3.7
99.08117	1.3
103.05535	1.4
105.07027	31.6
105.07702	2.1
106.13367	1.1
107.08595	22.4
109.10150	13.2
115.05466	1.8
117.07027	13.6
119.08578	27.6
119.09371	2.1
121.10152	17.4
123.08045	1.4
123.11705	4.0
125.09644	1.3
128.06227	2.5
129.07001	9.3
130.07796	1.5
131.08562	24.4
133.10126	22.7
135.08057	1.7
135.11691	11.2
137.13274	1.5
141.07014	3.0
142.07785	2.9
143.08557	14.4
145.10117	24.2
145.11163	1.9
147.11688	15.5
149.13263	5.5
155.08572	5.5
157.10147	13.4
159.11696	18.1
161.13271	12.4
163.14832	3.4
169.10124	9.2
171.11678	14.4
173.13268	13.8
175.14813	5.5
180.53632	1.1
181.10139	1.9
182.11012	1.1
183.11760	6.0
185.13251	9.8
187.14783	6.2
189.16437	2.0
195.11736	3.4
197.13307	6.4
199.14838	7.9
201.16483	3.4
209.13177	2.6
211.14870	3.3
213.16429	5.3
215.17986	2.4
217.19565	1.1
221.13370	1.1
225.16339	2.9
227.18033	2.0
229.19670	1.4
237.16408	1.3
239.17928	2.4
241.19678	7.1
243.21338	1.3
257.19080	3.5
259.20547	17.4
261.22186	4.2
271.20569	2.0
276.26187	1.1
311.23746	1.4
313.25098	1.3
315.23318	1.7
325.25290	1.8
333.24219	12.0
335.25833	17.8
367.30225	1.2
519.42108	7.0
523.37952	1.3
537.43121	5.2
541.39050	2.3
593.45557	6.5
611.46698	100.0
612.46985	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	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05513	15.1
57.03438	2.7
57.07081	7.9
59.04993	3.1
65.03932	1.4
66.90726	1.2
67.05506	32.8
69.07074	13.7
71.05000	1.7
71.08625	6.3
71.23541	3.2
73.02917	1.2
73.04771	2.0
78.09828	1.2
79.05489	20.1
81.07058	34.2
83.04991	2.0
83.08611	6.4
85.10191	3.6
91.05457	15.4
93.07046	25.5
95.08611	22.9
97.06557	2.4
97.10175	4.4
99.16263	1.4
103.05500	1.7
103.91940	1.2
105.07027	20.3
106.49502	1.3
107.08604	12.9
109.06559	2.5
109.10143	9.6
117.07005	11.1
119.08579	14.6
121.10135	13.2
123.08053	1.3
123.11728	4.0
128.06172	1.8
129.07033	9.0
131.08560	16.0
132.39313	1.3
133.10149	13.1
135.11707	5.7
141.07025	4.0
142.07843	2.9
143.08569	15.3
145.10126	15.3
147.11688	6.8
149.13293	3.4
155.08588	8.7
157.10135	13.9
159.11697	11.8
161.13304	5.4
163.11208	1.8
163.14792	2.5
167.08615	3.4
169.10138	8.7
171.11711	11.2
173.13269	8.2
173.72343	1.2
175.14819	3.7
181.10144	5.0
183.11652	7.5
185.13222	7.3
187.14890	3.9
189.16414	2.8
195.11667	4.4
197.13239	8.3
199.14914	5.1
201.16362	3.7
209.13312	3.5
211.14850	5.9
213.16484	2.9
215.17975	3.4
221.13412	1.4
223.14845	2.4
225.16473	3.0
227.18008	3.1
229.19536	2.9
237.16475	2.9
239.18019	3.5
241.19643	1.9
243.21217	1.5
251.17917	1.3
253.19652	1.3
257.19382	1.5
265.19675	1.8
273.18552	1.5
275.20068	1.9
281.22665	2.2
290.56653	1.3
297.22061	3.0
353.28296	2.5
355.07001	1.5
367.30328	1.7
438.64102	1.4
461.85278	1.3
499.33566	1.5
501.41083	2.1
519.42163	10.1
537.43207	5.2
544.24054	1.6
593.45349	8.6
611.46729	100.0
612.47406	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
57.03422	2.5
61.02914	2.1
71.02375	1.5
81.03420	1.9
85.02892	7.0
90.11269	1.6
98.20706	3.4
103.03954	3.1
107.04965	2.6
109.02860	2.7
121.02853	1.6
124.21838	1.8
135.04385	8.0
137.02344	32.7
147.03217	1.6
147.04419	2.8
159.04410	2.1
161.02328	5.2
161.06029	1.7
163.03893	2.4
165.01859	3.0
173.02406	2.3
175.03891	2.4
177.01796	6.0
177.65187	1.5
179.03453	4.7
187.03886	2.9
189.01778	9.7
189.05475	3.4
191.03407	5.2
195.02898	4.3
199.03914	1.7
201.01823	3.9
201.05338	1.7
203.03365	11.7
205.04892	2.0
207.02853	8.5
210.76498	1.7
211.04077	1.8
217.04919	5.4
219.02811	5.7
221.04564	2.2
229.04886	2.8
231.02713	2.1
233.04440	3.0
243.02870	2.9
255.02925	2.4
257.04419	2.8
267.03091	2.0
271.02997	1.7
283.05927	3.9
284.06744	3.7
285.04254	3.2
295.05899	5.2
296.06726	3.3
297.07532	5.6
298.04651	2.4
299.05444	11.8
300.06412	2.2
309.07474	4.5
310.04822	22.1
310.08258	3.5
311.05511	84.0
312.06207	8.1
313.07108	9.5
321.07468	2.2
323.05524	51.8
324.06161	17.5
325.06985	14.8
329.06567	11.4
335.05420	6.2
336.06271	4.5
337.03314	2.3
337.07043	24.8
338.08008	12.7
339.04877	2.9
339.08508	5.2
341.06570	100.0
349.07004	10.6
351.04926	3.4
351.08624	13.9
352.05627	4.6
353.06537	65.9
355.08289	2.2
361.07050	2.6
362.07227	1.9
363.08560	13.3
365.06564	32.9
366.07144	2.0
367.04440	2.2
367.08173	24.6
371.07605	15.9
373.07074	1.8
377.06485	19.3
377.10522	2.2
378.06824	1.8
379.08066	6.4
381.09723	12.0
383.07510	6.9
389.06491	6.2
390.07098	2.8
391.08243	12.7
395.07581	49.7
401.06522	1.9
403.08160	2.1
405.09988	2.8
407.07623	29.7
413.08817	1.7
419.07581	21.2
425.03122	2.8
425.08655	40.5
431.08493	4.1
433.09372	3.1
437.08676	26.9
443.09747	38.9
449.09238	2.7
455.09842	32.5
461.09488	6.3
473.10840	91.3
479.09695	3.5
491.11685	19.6
497.10754	29.9
503.10330	2.0
509.10400	5.3
515.11914	17.3
521.10889	8.4
527.11884	23.5
539.11835	23.5
545.12964	9.1
557.12970	30.2
575.14063	21.7
593.15106	9.7
611.16138	2.5
630.29401	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	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
52.40501	0.2
55.01873	0.4
57.03433	2.4
58.62076	0.2
61.02903	0.5
65.80219	0.3
68.99796	0.4
69.03411	1.1
69.97143	1.1
70.06573	0.3
71.04993	11.4
73.02895	0.5
75.04464	0.4
81.03422	0.6
83.04962	0.6
85.02901	14.7
87.04487	0.3
91.05456	0.3
97.02886	1.5
99.04457	0.4
106.83115	0.2
109.02840	0.7
111.00782	0.8
111.04449	0.3
121.02837	0.6
127.03918	1.0
129.05489	3.6
136.30917	0.3
137.02333	2.9
145.04930	0.8
147.06529	0.9
149.02394	0.4
153.01823	3.0
163.03905	0.4
165.01825	1.7
180.53175	0.2
183.02798	0.8
201.05421	1.6
229.04945	4.0
236.95345	0.3
247.06000	0.8
257.04440	2.4
274.04684	0.9
275.05588	0.3
283.36829	0.3
285.03915	1.0
299.05368	0.3
303.04974	100.0
304.05228	1.9
315.05011	0.3
345.06400	0.3
425.55945	0.3
465.10147	0.5
476.66489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
53.03923	0.8
55.01852	0.7
59.98214	0.6
66.11615	0.6
68.99776	0.6
69.03403	1.4
69.36529	0.5
69.87569	0.6
70.25848	1.4
70.26214	1.2
81.03413	1.5
85.02909	3.5
91.18941	0.7
97.02859	2.1
101.56532	0.7
107.04942	0.7
109.02901	1.1
121.02826	1.2
135.04358	2.1
137.02336	6.7
141.01817	0.9
149.02339	2.5
152.87801	0.6
161.02388	3.0
163.03896	2.8
165.00604	0.7
165.01859	10.8
167.03336	2.0
177.01764	1.5
179.03342	0.8
183.02864	2.6
187.03893	1.1
191.03334	1.3
195.02872	1.8
196.88811	0.7
203.03397	1.2
215.03337	0.9
243.02927	1.0
255.06587	1.0
261.03998	0.8
271.06006	1.0
272.06857	0.7
283.06009	8.1
286.04544	3.5
287.05475	6.3
293.08093	0.7
295.05884	1.9
297.07498	8.5
299.05496	100.0
300.06265	9.5
301.06818	0.8
309.07562	0.7
310.04654	0.9
311.05569	13.5
311.09094	1.8
313.06970	4.0
321.07562	2.2
323.05386	3.2
324.06311	1.5
325.03525	1.6
325.07050	23.7
329.06549	83.3
330.06738	1.8
337.06970	2.6
339.05310	0.7
339.08655	16.5
341.06610	2.0
349.06998	4.2
351.04739	0.7
353.06561	46.0
365.06552	9.8
366.07227	0.7
367.08185	3.1
377.06577	10.1
383.07599	30.0
395.07657	21.5
413.08688	26.8
413.12830	0.7
413.14188	1.2
419.07925	0.7
431.09732	35.8
432.09915	0.8
449.10876	12.7
473.11292	1.0
491.11929	1.5
495.76505	0.7
515.11993	1.4
557.13153	0.8
593.14874	2.3
611.15729	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
55.33725	1.2
57.03428	1.8
61.02930	1.8
68.83442	1.0
68.99766	1.2
69.03445	5.3
69.64567	6.2
69.64941	1.0
73.02932	1.2
73.43034	1.0
81.03430	2.6
85.02907	12.2
92.48018	1.0
95.55939	1.0
97.02887	4.4
109.02885	2.8
121.02901	1.4
125.05349	1.0
127.03898	1.2
135.04408	3.3
137.02362	6.9
141.01859	1.4
149.02382	2.8
161.02338	2.3
163.03897	2.2
165.01790	9.9
167.03398	3.1
177.01837	2.7
179.03419	1.3
183.02856	2.3
187.03839	2.3
195.02921	1.9
201.55739	1.1
227.64764	1.0
245.04497	1.7
255.06631	1.5
271.06000	1.0
283.06015	10.0
286.04730	5.5
287.05460	9.0
295.05887	1.5
297.07553	6.3
299.05496	84.2
300.06326	12.3
310.04575	1.6
311.05539	14.2
311.08975	2.2
313.03394	1.5
313.06946	2.5
321.07495	2.8
323.05460	2.3
325.03531	1.4
325.07040	22.8
325.10959	1.2
329.06543	100.0
330.06812	1.9
337.06982	2.5
339.05173	1.9
339.08701	12.0
341.06479	2.0
349.06989	2.8
353.06537	38.4
365.06604	8.7
367.08176	2.1
377.06522	8.1
383.07547	23.6
395.07629	21.2
413.08640	19.9
431.09720	26.9
449.10782	29.6
450.10999	1.4
473.11133	1.2
611.16095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
51.70388	1.8
51.87111	1.7
55.01872	2.6
57.03439	3.0
70.62749	4.0
70.63116	3.3
73.02925	1.9
76.60613	1.8
85.02898	5.7
107.04959	3.1
109.02911	2.9
111.04496	2.3
121.02894	2.3
135.04413	9.3
137.02341	35.9
137.03343	2.3
159.04443	2.7
161.02365	7.4
163.03889	4.2
173.02301	2.5
175.03882	3.3
177.01859	6.6
179.03423	5.1
187.03931	2.8
189.01822	12.6
189.05623	1.8
191.03406	6.2
195.02899	6.3
196.74976	1.7
201.05434	2.2
203.03375	17.9
207.02899	7.8
214.68346	2.0
215.03410	3.4
217.04930	5.6
219.02908	7.4
229.04941	4.5
231.02765	2.0
233.04477	2.2
255.02779	2.9
257.04416	3.3
261.03680	1.9
283.06149	2.9
284.06705	6.1
285.03958	3.0
285.07297	2.2
295.06027	7.7
297.07639	7.5
298.04684	3.3
299.05414	9.1
307.05920	2.1
309.07520	5.1
310.04709	27.9
311.01865	4.2
311.05524	73.4
311.08929	3.5
312.06305	9.3
313.07025	9.2
320.06784	2.1
323.05521	55.7
324.06287	20.8
325.03821	2.9
325.07104	18.2
329.06619	6.6
335.05411	7.7
336.06277	4.1
337.07019	34.1
337.10712	3.3
338.07556	11.3
339.04950	3.6
339.08649	5.4
341.06558	100.0
342.06958	2.2
345.07666	2.5
349.07065	8.4
351.08609	15.1
352.05756	2.6
353.02219	3.9
353.06552	62.5
354.06784	1.9
355.08170	2.0
361.07074	4.9
362.07782	2.9
363.08563	13.0
365.06531	30.1
367.08136	21.2
371.07690	22.1
373.07150	2.2
377.06448	20.3
377.10196	1.7
379.08179	7.7
381.09720	12.3
383.07819	3.8
389.06445	5.0
391.08023	12.3
395.07660	59.8
401.06537	5.8
405.09778	4.6
407.07648	28.3
417.09735	2.2
419.07498	25.1
425.08704	44.5
426.08591	2.3
431.08075	3.3
437.08643	24.0
438.09238	2.2
443.09744	42.8
449.08786	5.2
455.09714	29.1
461.09320	5.7
473.10809	91.0
474.10803	2.6
479.09790	5.3
491.11984	14.7
497.10840	33.8
503.09717	4.0
509.10953	3.9
515.11914	19.2
521.10779	8.9
527.11847	22.4
539.11890	25.6
545.12720	7.9
557.12970	26.1
575.13947	19.9
593.14789	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	611.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41734	2.0
61.02926	3.4
68.99796	4.0
69.03429	2.9
70.95518	3.8
70.95836	2.7
73.95512	1.9
77.28527	2.0
79.01735	1.9
81.03407	4.1
84.88017	2.0
85.02905	11.7
86.67512	2.1
95.06757	2.5
97.02946	2.6
98.14260	2.0
103.03910	2.3
107.04951	2.3
109.02883	3.9
115.00743	2.4
121.02885	2.9
135.04404	9.2
137.02347	49.0
137.03413	4.4
144.08075	3.7
147.04399	2.6
151.03915	3.3
157.66660	2.6
159.04414	4.0
161.02327	6.2
163.03864	6.3
165.01869	8.5
177.01837	6.7
179.03410	4.7
187.03935	3.3
189.01799	17.0
191.03406	8.5
193.04735	2.3
195.02905	6.9
201.01816	3.0
203.03391	14.2
205.04947	2.8
207.02879	9.7
217.05029	7.7
219.02892	8.5
221.04509	3.5
229.04987	5.2
231.02815	2.9
233.04314	4.0
243.02946	4.0
245.04526	3.0
255.02974	6.0
257.04391	4.8
261.04272	3.6
269.04501	3.1
271.06119	3.8
283.05963	6.3
284.06744	5.7
285.03784	4.2
287.05536	5.6
295.05997	4.7
296.06952	2.8
297.07431	11.8
298.04666	2.6
299.05484	48.1
300.06277	7.5
303.05023	7.0
309.07584	5.2
310.04788	21.8
310.07983	4.6
311.05508	97.3
311.08911	3.5
312.06119	6.8
313.06998	14.8
321.07556	5.1
323.05496	50.4
324.06277	17.1
325.06998	23.8
329.06546	43.2
333.07516	3.1
335.05496	6.6
335.09146	2.4
336.06287	4.1
337.07062	27.0
338.07794	12.8
339.04980	3.7
339.08615	11.3
341.06561	89.6
342.06683	3.5
349.07043	8.3
351.04977	2.9
351.08737	11.5
352.05634	4.6
353.06589	75.1
359.07794	2.6
362.22873	2.3
363.08685	12.0
365.06558	34.6
367.08221	23.4
371.07840	23.8
377.06500	21.3
377.10172	2.4
379.08057	5.6
381.09695	7.7
383.07721	12.1
389.06537	8.6
391.08157	12.3
395.07648	67.1
401.06543	3.4
403.07932	3.2
405.09875	3.1
407.07510	30.9
409.08942	3.1
413.08606	9.8
419.07474	21.0
425.03214	3.0
425.08679	43.2
431.09833	14.9
433.08707	2.3
437.08612	27.7
443.09744	40.8
449.10809	26.5
455.09753	38.3
461.09125	8.9
473.10822	100.0
474.10660	3.2
479.09854	7.8
491.11679	18.0
497.10693	29.4
503.09787	5.3
509.10590	6.0
515.11652	19.6
521.10712	6.6
527.11877	26.5
539.11841	26.8
545.12689	8.1
547.95386	2.6
557.13049	31.6
575.14209	23.8
593.14734	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	610.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
57.03439	2.2
61.02913	5.8
67.05501	6.5
69.03439	3.2
69.07064	5.0
70.05632	8.8
70.06598	27.3
72.08154	7.4
73.04766	5.3
79.05495	4.3
79.17331	1.7
81.03416	5.4
81.07044	10.6
83.04989	3.1
83.08633	3.1
84.04501	6.0
84.08147	8.9
85.02892	8.5
85.06528	3.9
86.09689	14.3
91.03960	3.3
91.05489	11.3
93.07064	5.4
95.08620	6.7
97.02915	4.4
100.11288	3.0
105.07034	9.1
106.88192	2.6
107.08576	3.6
109.02872	4.6
109.10194	3.1
119.04955	22.5
119.08591	14.6
120.08109	8.3
121.10165	3.1
123.04425	3.6
129.10234	5.0
131.08589	4.0
133.06512	6.8
133.10107	5.4
136.07555	5.6
145.10147	11.5
145.11160	2.0
147.04420	18.8
147.11705	15.8
149.05804	2.2
149.13275	2.5
156.09372	2.7
159.08029	2.6
161.82800	2.0
167.07027	2.8
171.11620	4.3
175.03894	33.2
182.15448	2.4
189.12749	48.2
207.06538	100.0
299.05930	3.2
350.10452	2.4
351.10394	2.6
355.06992	6.9
369.11801	18.0
426.68570	2.4
610.23749	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	610.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29728	2.0
51.74797	1.5
54.97770	1.8
55.05496	2.3
57.03431	2.5
67.05505	4.0
69.03419	2.1
69.07045	3.7
70.06605	9.6
71.49332	2.3
72.08141	2.7
73.04768	4.8
79.05513	2.5
81.03413	4.1
81.07050	5.1
83.53603	2.3
84.08130	6.0
85.02888	5.8
86.09734	9.7
91.05442	19.8
91.83734	1.8
93.07062	6.0
95.05006	2.0
95.08588	4.6
96.33334	1.9
97.02873	2.8
105.07031	8.4
107.05004	2.6
107.08568	2.7
109.10133	3.2
113.19735	1.8
117.07001	3.6
119.04941	21.2
119.08611	14.1
120.08092	1.8
121.10110	3.0
122.86935	2.0
123.11741	2.7
130.08629	2.7
131.08543	2.5
133.06500	3.2
133.10139	3.1
139.07594	1.8
139.11241	2.6
145.10170	14.1
147.04417	21.7
147.11705	20.0
156.09248	3.1
157.03981	2.6
167.05626	3.6
167.07008	6.9
171.11671	3.7
175.03902	36.1
177.05525	2.5
184.07381	6.3
189.12753	76.3
189.14474	3.9
199.57782	1.7
207.06544	100.0
208.06808	2.2
294.94772	2.0
299.05807	2.6
355.06918	7.6
369.11926	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	610.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01881	1.4
55.05514	2.5
56.06652	1.0
57.07063	3.0
59.05000	1.9
60.81408	0.9
61.01119	1.4
67.05509	6.5
68.05846	0.8
69.07069	2.3
70.74868	2.0
71.08634	2.4
72.78492	1.0
73.04757	70.7
75.02692	2.5
79.05483	4.6
81.07056	6.0
83.08632	1.7
83.52619	0.8
85.10200	1.3
89.06038	2.4
91.05810	88.1
93.03722	1.7
93.07038	4.6
95.04945	1.7
95.08596	6.0
97.06526	1.3
105.06427	0.9
105.07010	5.1
107.04980	1.9
107.08581	3.1
109.06833	1.0
109.10154	1.2
111.08134	0.9
114.07358	11.3
119.08596	3.1
121.10144	1.4
129.86745	0.8
131.08556	1.4
133.10156	3.4
135.11748	1.2
139.79114	0.8
145.10211	1.8
147.11732	1.7
149.04483	10.1
149.09607	0.9
161.13400	0.9
167.05551	29.4
190.07216	1.7
221.08455	6.0
221.48346	0.8
225.04301	7.0
227.02290	1.6
239.09506	36.1
240.09746	0.9
266.99927	9.6
268.97870	18.0
269.00516	1.2
269.98239	1.0
271.93002	1.0
275.20093	4.5
276.20572	1.5
281.05258	3.3
283.03006	10.9
285.00974	42.5
299.06168	35.3
299.09531	1.6
300.06216	1.1
303.02100	3.0
323.66232	0.9
344.97607	10.3
355.06995	100.0
356.07123	3.1
359.02878	1.3
371.10278	2.5
373.08102	7.8
400.98645	2.3
402.96405	8.5
415.03711	6.7
418.99518	12.3
420.22482	1.3
432.19434	1.3
433.19150	1.3
434.24664	1.6
435.25055	1.0
436.25113	1.0
446.20529	1.3
447.21265	2.7
448.21393	1.4
450.22968	1.3
461.22891	2.1
462.22906	3.9
463.23657	4.2
464.24603	2.5
489.05655	1.9
492.57852	0.8
508.23270	1.2
520.25311	0.9
548.27570	1.1
549.27667	4.8
550.27905	11.8
577.13306	1.1
609.29895	3.7
609.45392	1.4
610.30249	31.5
610.46051	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	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01863	1.6
55.05513	16.1
57.03439	3.8
57.07063	2.3
65.03937	1.4
66.00971	0.4
67.05506	23.7
69.03445	0.5
69.07068	12.0
70.99367	0.9
70.99698	0.4
71.04991	1.9
71.08627	0.9
79.05492	18.4
81.07057	24.8
83.04989	1.4
83.08620	6.3
85.06529	1.4
91.05477	17.2
93.07042	19.7
93.07639	0.8
95.04978	2.3
95.08607	20.8
97.06527	2.8
97.10159	3.8
103.05441	0.9
103.08376	0.5
105.07034	17.0
107.04940	0.6
107.08600	13.1
109.06531	0.8
109.09476	0.7
109.10157	8.3
111.08091	1.2
111.11700	0.7
115.05441	1.4
117.07012	9.7
119.08582	16.9
121.10146	7.5
123.08078	1.6
123.11718	2.0
125.09653	1.4
128.06209	2.8
129.06999	11.2
130.07822	0.5
131.08562	14.8
133.10133	11.3
135.11697	5.4
137.09653	0.8
137.13243	0.9
141.06984	6.5
142.07771	2.8
143.08565	14.8
144.09344	1.0
145.10129	14.9
147.11697	5.7
149.09627	1.7
149.13243	2.9
151.14674	0.5
153.07004	1.5
154.07759	1.4
155.08548	12.8
156.09323	1.9
157.10129	13.8
159.11691	11.4
161.13246	4.2
163.11125	0.8
163.14842	1.3
165.07028	1.3
166.07889	0.8
167.08575	6.4
168.09346	1.2
169.10121	15.9
170.10963	0.7
171.11697	13.5
173.13258	6.0
175.11263	0.5
175.14827	2.3
179.08568	2.5
180.09358	1.4
181.10123	9.0
182.10936	1.5
183.11691	16.1
185.13246	8.9
187.14784	3.9
189.12811	0.7
189.16380	1.7
190.85133	0.5
192.09320	0.9
193.10091	3.3
194.10910	1.0
195.11697	9.9
196.12483	1.1
197.13252	12.0
199.13264	1.0
199.14874	6.5
201.16438	2.0
203.18007	0.7
205.10176	1.1
207.11690	3.2
208.12515	1.1
209.13263	9.1
209.15166	0.9
210.13925	0.5
211.14804	8.1
213.14708	0.8
213.16476	4.2
215.14276	0.5
215.18008	1.3
219.11699	1.1
221.13251	2.8
223.14828	5.4
224.15651	0.6
225.16342	5.2
227.16109	0.9
227.18115	2.5
229.15749	0.5
229.19577	0.9
233.13309	0.9
233.19144	0.6
235.14825	2.3
237.16394	4.2
239.17902	3.1
241.19705	1.3
247.14830	0.7
248.11267	0.5
249.16425	1.8
251.17992	3.2
253.19542	1.8
255.17432	0.6
257.19070	2.0
261.16348	0.8
263.17972	1.2
265.19434	2.4
267.21225	1.3
269.22491	0.6
275.20313	2.3
277.19528	0.7
279.21216	1.0
281.22629	0.6
283.20572	1.4
285.22290	0.9
291.20932	0.8
293.22583	1.2
295.20483	0.7
297.22119	0.6
299.20300	0.7
299.23624	0.6
307.20572	1.0
309.22180	1.1
311.20187	0.7
311.23761	0.7
313.21619	0.9
319.24615	0.6
321.22177	1.2
323.23758	1.3
325.25302	1.0
327.23303	0.7
335.26663	0.5
337.25107	2.3
339.23236	0.8
341.24841	1.1
349.25406	1.5
351.26843	2.6
353.24762	0.9
355.26202	0.8
363.27008	2.0
365.24603	0.8
365.28503	2.0
369.27823	1.0
377.28183	0.6
379.30072	1.4
381.27875	1.0
391.30093	1.3
393.31808	0.9
403.29776	0.6
407.29080	0.7
416.14587	0.6
421.30688	0.9
423.32837	0.7
431.33319	0.8
432.43988	0.5
433.30246	0.7
447.32370	1.4
461.34091	1.5
465.34058	0.8
475.34122	0.5
497.37247	0.6
499.39297	1.6
515.38159	1.0
517.40454	13.5
521.36249	0.8
523.37622	0.6
535.41541	7.1
539.37286	1.9
540.38770	0.8
553.42676	0.8
555.41394	0.8
573.43207	1.9
591.44037	12.3
609.45123	100.0
610.45325	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03952	1.2
53.68503	0.9
55.01870	1.6
55.05274	1.2
55.05514	14.6
57.03431	3.7
57.07066	1.7
65.03923	1.2
67.05508	25.2
69.03447	1.1
69.07069	12.4
70.04904	0.9
71.05004	1.0
71.08627	0.9
71.50410	1.3
71.56998	0.9
73.02924	0.9
79.05496	18.4
79.28317	0.9
81.07055	23.7
83.05022	1.2
83.08625	6.4
85.06543	2.1
91.05481	14.0
93.07042	16.9
95.04954	1.0
95.08604	21.4
97.06532	2.2
97.10175	3.6
105.07024	17.1
107.08589	11.1
108.57676	0.9
109.06484	1.0
109.10157	9.3
111.08062	1.1
115.05454	1.4
116.67843	0.9
117.07020	9.3
119.08588	15.4
121.10131	8.9
123.11734	1.9
128.06244	3.0
129.07027	13.4
131.08556	14.3
133.10121	10.8
134.81268	0.8
135.11722	5.2
137.09740	0.8
139.11168	1.0
141.06979	6.8
142.07819	4.1
143.08559	14.3
145.10121	14.4
147.11671	6.1
149.09589	1.3
149.13272	2.5
153.07004	2.4
154.07803	2.1
155.08559	13.7
156.09377	2.5
157.10132	14.4
159.11685	9.5
161.13293	3.2
163.11174	1.0
163.14873	1.1
165.07091	1.3
167.08548	6.1
168.09367	2.1
169.10120	17.0
171.11708	12.4
173.13254	8.0
175.14868	2.6
179.08627	3.5
181.10118	8.9
182.10977	1.4
183.11702	17.0
185.13248	10.7
186.28661	0.9
187.13373	0.8
187.14890	3.4
189.16396	1.2
193.10184	3.6
194.10875	1.4
195.11700	9.3
197.13269	12.5
199.14850	6.6
201.16422	2.0
205.10149	0.9
207.11711	3.4
209.13242	8.7
211.14853	8.9
213.16440	4.8
219.11848	1.0
219.17522	1.0
221.13324	3.4
223.14799	4.9
225.16357	8.0
227.18021	2.8
235.14841	2.6
237.16348	4.5
239.17976	4.8
241.19670	2.5
243.62080	1.0
247.14734	1.2
249.16617	2.0
251.18057	3.0
253.19687	1.4
255.21117	1.3
257.19104	1.6
263.17957	1.7
265.19589	2.1
267.21149	1.5
279.20801	1.0
287.20334	1.1
305.22577	1.2
309.22189	1.1
311.20111	1.2
311.23962	1.0
313.21719	1.2
321.22101	1.7
335.23309	1.1
337.25366	1.7
339.23129	1.0
339.26929	1.1
349.25381	1.5
351.26926	1.7
363.26746	1.7
365.28543	1.7
375.26797	1.0
379.30225	1.4
416.45877	1.1
421.30472	1.2
431.32523	1.8
433.31070	1.4
447.32281	1.9
492.50687	1.3
499.39648	2.2
517.40393	15.9
535.41479	7.7
539.37451	2.0
549.25659	1.0
553.42102	1.0
573.43201	2.6
591.44031	16.4
601.54059	1.1
609.27551	3.4
609.45160	100.0
610.45532	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04823	0.9
51.02375	2.0
53.03951	7.1
55.01871	12.0
55.05513	26.9
57.03429	3.9
57.07069	3.1
60.33212	0.8
65.03930	5.6
67.05506	71.3
68.59344	0.9
69.03407	2.2
69.07068	35.6
69.14730	10.8
71.04990	2.7
77.03909	1.6
79.05493	62.9
81.03427	6.5
81.07055	77.0
83.04973	8.4
83.08620	9.8
85.06537	2.3
91.05480	73.3
93.07044	64.5
95.01328	11.1
95.04974	14.5
95.08609	48.3
97.06528	18.0
97.10173	3.2
97.17988	0.9
99.08058	1.7
103.05470	3.0
105.04539	3.0
105.07033	79.9
107.04964	17.8
107.08596	32.3
109.06525	5.7
109.10155	15.5
111.08069	3.6
113.09650	1.2
115.05479	2.8
117.07021	18.3
119.08580	45.6
121.06531	4.5
121.10143	17.5
123.04443	2.4
123.07318	1.0
123.08047	5.7
123.11721	2.5
125.09651	1.7
128.06190	1.2
129.06998	4.6
130.07805	1.4
131.08571	31.9
133.06520	1.2
133.10132	44.4
135.08051	5.2
135.11682	12.0
137.09612	4.2
141.06973	3.7
141.26160	0.9
142.07710	1.1
143.08582	7.1
145.06520	2.5
145.10118	26.5
147.08080	1.6
147.11691	22.5
149.09615	7.9
149.13229	5.3
151.11160	1.8
155.08607	3.3
157.10089	5.1
159.11694	17.3
161.13281	9.6
163.11194	3.5
163.14841	1.8
165.09158	3.4
169.10146	4.1
171.11691	5.3
173.13277	8.2
175.11206	1.2
175.14812	2.2
177.12781	5.3
179.10680	0.9
179.14311	20.6
179.15842	1.4
181.40138	0.9
183.11708	3.3
185.13321	2.8
187.11209	2.1
187.14725	1.8
188.82718	1.0
197.13266	3.5
201.12790	1.6
201.16501	1.6
211.14841	1.2
213.16556	1.5
219.17397	10.7
229.19542	3.0
239.18030	3.5
247.20613	3.5
257.19058	11.1
261.22086	2.1
275.20065	100.0
293.21121	7.0
317.24371	1.1
331.22748	1.3
335.25967	3.2
349.23782	2.7
355.06143	1.0
536.23730	1.2
591.45093	1.2
609.28040	7.5
609.45099	70.3
610.45221	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03941	0.8
55.01872	0.9
55.05515	3.0
57.07062	1.0
67.05499	4.9
69.07062	2.2
71.08647	0.8
79.05495	5.2
81.07062	6.8
83.08634	0.8
84.08135	0.8
85.06580	0.6
91.05478	4.6
91.71487	0.5
93.07036	4.7
95.04963	1.2
95.08617	5.1
97.06538	1.0
105.07025	4.3
107.08607	3.3
108.08113	0.7
109.06503	0.8
109.10137	1.8
117.07020	1.9
119.08581	4.0
121.10169	1.9
129.07021	1.5
130.08571	1.0
131.08553	3.4
133.10133	2.2
135.11684	1.3
137.06007	1.2
143.08575	1.2
145.10127	3.0
147.11649	1.5
157.10147	1.1
159.11681	2.0
161.13243	1.0
169.10094	1.2
169.13292	0.6
171.11644	1.2
173.13275	1.2
193.10170	0.6
197.13348	0.9
211.14937	0.8
215.17900	0.6
238.21394	0.7
246.80609	0.6
257.18997	2.3
275.20154	2.2
311.50177	0.5
320.71060	0.7
335.25943	1.5
359.13293	0.6
377.18073	1.1
389.18103	1.3
390.18463	0.8
391.19299	2.2
392.19949	1.0
393.20706	0.7
401.18039	1.2
404.20752	1.5
405.20877	2.8
406.21716	2.4
407.22467	2.5
415.19330	2.6
417.21481	0.9
419.22546	1.7
421.24023	4.1
427.19446	1.1
429.20792	2.7
430.22119	1.3
431.18350	1.1
433.20380	1.1
434.21008	0.8
444.23502	1.5
446.21307	0.9
447.17535	1.2
448.18344	0.9
456.19049	0.7
457.24438	3.8
459.21826	2.1
460.23465	1.1
461.19031	5.8
462.20532	2.6
463.21100	1.4
472.22693	2.0
474.20184	1.2
475.21121	9.5
476.21863	5.8
477.22601	4.9
478.23291	1.3
479.24054	1.1
485.23569	8.3
486.20261	3.5
487.25610	1.0
489.22781	6.5
493.22018	0.8
499.21472	2.7
500.21918	2.4
503.24548	6.2
513.23260	1.1
515.24597	7.8
521.25891	3.2
531.23938	16.8
532.24310	0.9
535.23602	1.1
541.22504	1.1
549.25146	2.9
550.26294	3.8
559.23370	6.9
577.24530	1.7
591.26050	32.4
591.41333	1.2
609.27075	100.0
609.45007	8.1
610.27222	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03955	0.5
55.01847	0.4
55.05494	1.4
55.12865	0.4
57.07064	0.6
67.05510	2.3
69.07066	1.3
71.89784	0.6
76.52834	0.4
79.05508	2.2
81.07069	2.2
91.05489	2.2
93.07044	2.1
95.08599	1.3
105.07047	2.0
106.06525	0.6
107.08596	1.0
107.45892	0.4
109.10166	0.6
117.07041	1.2
119.08603	1.5
121.10121	1.0
123.11700	0.5
129.06952	0.6
131.08572	1.0
133.10149	1.3
141.06985	0.6
145.10143	1.0
147.11646	0.5
159.11691	0.6
171.11917	0.4
207.38167	0.5
208.66214	0.5
234.11722	0.4
237.10239	0.5
249.10562	0.6
257.18829	0.7
271.09692	0.5
273.11292	1.1
275.20132	1.0
297.12497	0.5
312.42715	0.4
314.12961	0.4
377.17703	0.8
389.17862	0.7
390.18448	0.6
391.19272	1.4
393.20792	0.7
403.15204	0.5
404.15854	0.8
404.20450	0.6
405.16629	0.9
405.21368	0.8
406.21631	1.2
407.22638	0.8
417.17166	1.4
418.17480	0.6
419.18640	2.2
419.22757	1.6
420.19250	0.8
421.24014	1.7
429.17181	0.8
430.17722	0.7
431.22717	0.8
432.19623	1.2
433.20212	3.8
434.20920	0.6
435.21973	1.6
443.18866	0.5
445.20300	2.5
446.21146	1.9
447.17236	1.1
447.22842	3.1
448.22610	1.8
449.23386	4.5
450.24802	0.5
458.20959	0.5
459.21875	2.1
460.23151	0.5
461.20010	1.9
462.20490	0.9
463.21201	2.0
475.20883	1.0
476.21930	5.4
477.22830	4.1
489.22952	1.8
490.23959	0.6
492.25436	0.8
493.22226	0.8
503.24368	0.9
508.24750	0.8
511.48624	0.5
519.24231	3.2
520.24805	0.6
521.22400	2.0
521.25269	2.2
531.23877	1.4
549.25006	14.2
579.26038	0.8
581.27429	1.6
591.25909	1.8
608.43744	0.5
609.27094	100.0
609.44543	3.7
610.27551	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	608.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99213	0.5
67.51854	0.6
70.06588	1.4
70.65837	1.7
77.07691	0.6
85.02914	0.7
91.05482	0.8
92.41090	0.6
117.05805	0.7
117.07028	1.8
122.01321	0.6
127.03886	1.1
132.08102	21.5
139.03902	0.9
143.07346	1.4
144.08095	100.0
145.08386	1.5
175.12314	45.1
267.18100	0.9
312.00906	0.6
362.11853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45697	0.7
57.91358	0.6
59.05006	5.1
61.01149	0.7
65.70756	0.7
69.03417	1.2
70.06580	2.5
70.34099	0.9
71.15833	1.1
73.06549	1.1
85.02914	2.1
87.04482	5.0
89.06033	100.0
97.02873	1.2
103.07600	1.7
109.02952	0.9
114.20652	0.7
117.09177	1.0
130.33618	0.7
131.07089	1.6
133.08607	57.5
136.07607	1.4
147.10204	1.9
172.20868	0.8
177.11226	23.3
177.12677	1.3
197.50702	1.1
221.13802	5.0
265.16589	1.5
283.17505	3.7
327.20236	4.5
342.14166	1.0
371.22763	40.6
381.86005	0.8
408.80832	0.9
429.27017	14.6
444.20828	0.8
504.35458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
53.03940	0.3
55.01871	0.4
55.05516	1.5
56.95107	0.3
57.03419	0.3
57.07074	0.7
58.04470	0.3
67.05508	3.7
69.07075	1.7
70.95085	0.5
79.05494	3.3
81.07058	3.4
83.08618	0.6
86.73892	0.3
91.05451	2.6
91.11633	0.3
93.07041	2.9
95.01370	0.3
95.04994	0.5
95.08606	2.2
97.06535	0.7
97.10188	0.3
97.60046	0.3
103.03901	0.2
105.07035	2.6
107.04949	0.4
107.08605	2.0
109.10169	1.2
115.05466	0.4
117.07030	1.0
119.08569	1.7
121.10153	0.9
123.11726	0.3
129.07004	0.7
131.08589	1.7
133.10126	1.3
135.11780	0.5
141.07051	0.4
142.07709	0.3
143.08580	1.2
145.10138	1.9
147.11696	0.8
149.09697	0.3
149.13240	0.4
155.08574	0.8
157.10147	1.0
159.11710	1.1
161.13261	0.7
163.11258	0.3
167.08624	0.4
169.10141	0.5
171.11717	0.7
173.13312	0.9
175.14880	0.3
175.46497	0.2
181.10109	0.3
183.11719	0.6
185.13275	0.7
195.11736	0.5
197.13394	0.5
209.13333	0.7
211.14813	0.6
213.16512	0.4
223.14986	0.3
225.16359	0.4
227.18008	0.4
239.17986	0.4
257.19016	0.4
275.20154	2.3
335.25879	0.5
375.16077	0.4
377.17511	0.6
389.17670	1.0
390.18658	0.6
391.19193	1.3
401.17719	0.7
402.18604	0.9
403.19412	1.6
404.20065	0.7
405.16370	0.3
405.20914	1.9
406.21298	0.5
407.22375	1.4
415.19479	0.7
416.20355	0.4
417.16995	1.2
417.21915	1.4
418.17215	0.5
419.17548	0.5
419.22928	2.6
420.23184	0.9
429.17032	0.8
429.21719	0.4
430.17285	1.5
431.18240	3.0
432.18979	0.6
432.23697	0.6
433.20236	6.1
434.20926	0.7
435.22070	0.7
443.18732	1.2
444.19006	1.8
445.19849	4.3
446.21060	3.6
447.22076	3.7
448.22665	0.9
449.23672	0.4
458.20996	5.7
459.21722	3.9
460.23013	3.0
461.19824	1.0
462.20453	0.4
463.20862	1.9
473.23355	1.2
474.20053	0.4
475.20386	0.5
476.22180	1.2
477.22742	1.6
479.24164	0.3
487.24881	0.4
489.18268	0.5
489.23749	0.4
490.23682	0.7
491.20407	0.6
493.25964	0.3
503.20013	0.4
503.25552	0.5
505.22534	1.1
516.21710	0.6
517.40454	0.9
518.23236	2.7
519.23895	7.5
520.24786	0.5
521.25092	1.3
531.23846	1.5
532.24701	0.8
549.24982	5.9
563.25873	0.3
576.23804	0.4
579.25879	0.3
591.16565	0.5
591.26031	10.2
591.43988	1.2
592.26501	0.6
609.27057	100.0
609.44952	8.6
610.27246	3.2
637.31079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01875	12.1
55.05268	1.8
55.05513	24.6
57.03433	1.9
57.07063	3.3
65.03963	5.6
67.05505	58.1
69.03425	1.7
69.07072	43.2
71.04991	2.1
71.08639	2.0
77.03905	1.3
79.05495	57.9
81.03421	6.2
81.07057	64.2
83.04988	8.5
83.08622	10.6
85.06548	1.6
89.06042	2.2
91.05486	86.5
93.07047	46.7
94.75281	1.1
95.01329	11.5
95.04980	13.6
95.08614	47.4
97.06535	19.2
97.10162	4.7
99.08087	2.3
103.05493	4.4
105.04536	2.1
105.07033	100.0
107.04292	2.0
107.04964	21.5
107.08601	26.4
109.06535	3.8
109.10168	12.4
111.08118	3.6
113.09660	1.8
115.05441	5.4
117.07022	30.6
119.08587	56.4
121.06516	3.8
121.10163	13.4
123.08049	5.2
123.11737	3.0
125.09627	2.4
128.06229	3.6
129.07008	12.5
130.07782	1.6
131.08572	33.9
131.09534	1.9
133.10138	55.5
135.08055	3.8
135.11697	11.1
137.09607	2.1
139.07555	1.3
141.06990	5.2
142.07770	2.1
143.08565	10.4
144.09341	1.4
145.06416	1.2
145.10121	35.9
147.11693	29.9
149.09647	7.6
149.13287	4.4
151.11304	2.2
155.08568	5.7
156.09328	1.4
157.10139	11.4
159.11696	29.7
161.13249	14.3
163.11217	4.7
165.09113	1.9
167.08571	2.2
169.10136	9.6
171.11707	12.5
173.13280	10.3
175.14787	3.6
177.12827	3.3
179.14339	17.4
181.10159	5.1
183.11743	5.1
185.13275	8.5
187.11232	3.6
187.14865	3.7
195.11708	4.9
197.13268	5.6
199.14870	4.1
205.12268	1.9
207.11717	1.8
209.13330	4.8
211.14842	3.0
213.16409	2.7
215.17921	1.4
223.14969	2.0
229.19525	1.4
231.21146	1.9
233.15440	1.5
237.16397	2.0
239.17987	4.5
241.19588	9.3
247.20511	1.8
257.19061	6.8
259.20599	12.0
275.20078	75.4
293.21124	5.5
297.22098	1.3
313.21844	2.0
315.23236	14.7
349.23758	10.2
403.19275	1.4
417.16879	1.5
419.22397	3.5
431.18900	2.4
445.20334	1.9
447.21936	3.6
459.22006	1.3
461.46579	1.2
474.20615	1.4
475.21310	4.7
483.34677	2.4
515.38922	3.1
519.24005	2.4
533.39777	2.2
538.36255	1.8
547.23376	20.9
551.41138	3.0
607.25952	26.9
607.43579	82.8
608.25854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.77242	0.4
71.42487	0.8
72.49478	0.4
72.59208	0.4
77.96022	0.4
85.79811	0.5
86.99205	0.4
93.52002	0.4
219.62915	0.4
281.40134	0.5
388.16718	0.7
389.17719	0.9
402.18738	1.3
403.19281	3.3
404.20117	0.5
405.20847	1.5
415.19135	0.8
416.20346	1.3
417.21353	3.5
418.21545	2.1
419.22675	2.0
430.17047	0.6
430.22147	0.9
431.18124	7.1
432.19034	1.0
432.23996	0.7
433.19037	0.7
433.24097	8.1
434.24731	0.8
445.19824	9.7
446.20807	3.4
447.21680	3.6
459.21176	4.1
460.15866	0.5
460.17218	0.3
460.22574	14.4
461.23376	16.3
473.23721	3.3
474.24365	1.8
477.23181	0.8
487.25031	2.3
489.23328	0.6
491.24573	0.6
492.25436	0.7
505.21689	2.7
519.28577	2.6
532.24829	1.3
547.27063	47.5
548.27362	1.7
575.26385	1.0
578.24945	0.6
579.29596	0.7
607.29156	100.0
608.29840	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	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
64.34289	0.6
69.80389	3.8
70.62062	0.7
80.68256	0.7
119.84406	0.7
127.81161	1.0
142.48871	0.7
198.18933	0.7
265.78461	0.8
282.89008	0.7
286.13840	0.8
389.17480	1.3
403.19016	4.2
405.20761	1.1
417.21454	3.5
418.21442	1.8
419.22330	2.8
430.17264	1.4
431.18085	6.9
432.19006	1.1
432.24033	1.0
433.24255	5.9
445.19760	8.3
446.20859	3.8
447.21494	5.0
459.21570	4.6
460.22537	10.7
461.23404	8.0
473.23422	2.2
487.25037	1.5
489.23499	0.7
505.22327	2.0
519.24255	1.0
519.27789	1.2
547.27032	21.2
575.25952	1.1
579.28906	0.8
607.29144	100.0
608.29156	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.40133	0.2
55.05466	0.2
67.05500	0.5
71.50497	0.4
81.07058	0.3
93.07053	0.3
95.04989	0.3
95.08629	0.3
101.23431	0.3
113.61021	0.3
114.78530	0.2
119.08588	0.3
121.10201	0.2
124.13766	0.2
146.31790	0.2
173.44591	0.3
207.09206	0.4
209.10799	0.3
221.10837	0.4
223.12305	0.3
239.89854	0.3
287.28079	0.3
352.14484	0.4
374.15463	0.5
375.16208	0.6
376.17542	0.4
377.17899	0.4
387.16376	1.0
388.16962	1.1
389.17624	2.9
390.18307	1.2
391.19275	1.0
401.18198	0.8
402.14178	0.4
402.18503	0.7
403.19540	4.2
404.20135	1.6
405.20889	3.2
407.21994	0.4
416.16507	1.1
416.20862	0.5
417.16312	4.5
417.21259	1.8
418.17825	1.5
419.22540	6.7
420.23151	0.8
429.16821	0.4
430.17963	1.1
431.18317	7.7
432.19159	2.9
433.20093	4.0
434.20950	0.4
445.20108	4.5
446.21057	7.9
447.21722	8.6
448.22736	0.6
457.20572	0.4
458.21051	0.4
459.17874	1.2
459.22198	1.2
460.18857	0.8
461.19473	2.2
462.24564	0.4
463.20590	0.4
463.25766	0.6
473.19775	1.0
473.24579	0.4
474.20465	5.6
475.21130	4.9
476.21829	0.6
477.23050	0.8
478.23456	0.7
487.21414	1.9
490.23203	0.7
491.20071	3.3
501.23004	1.1
504.21500	0.4
505.22327	0.9
506.23462	0.7
519.24146	17.4
520.24573	0.7
529.22211	0.4
532.21002	0.5
533.22321	0.3
547.23468	13.0
548.23920	1.0
561.25006	0.4
579.26044	5.8
589.24023	0.4
607.25537	100.0
608.25964	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	606.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.6
57.03428	5.1
58.96492	1.1
59.05000	100.0
61.01137	1.2
67.05493	2.4
69.03426	1.7
69.07052	2.6
70.04091	1.2
70.06593	15.0
70.16476	4.1
71.04980	1.2
72.08168	5.2
73.02905	1.4
73.06534	1.2
74.06046	1.6
79.05491	1.4
81.03405	2.2
81.07048	2.3
84.04476	2.8
84.08133	8.8
85.02908	1.6
85.06550	1.3
86.09701	11.3
87.04472	9.6
88.03973	1.4
89.06028	95.7
91.05449	3.2
91.07564	1.4
92.84284	1.2
93.07011	3.6
94.06545	1.2
95.04977	1.3
95.08566	3.0
97.02866	1.3
97.06516	1.4
99.08089	1.4
100.10773	1.0
101.09626	1.1
103.07569	3.6
105.07020	1.9
107.07070	1.3
107.08562	1.6
109.02814	1.6
109.06528	1.3
109.10131	1.8
115.07550	1.5
117.09130	28.6
118.06888	1.4
119.04972	1.1
119.08580	1.3
120.08096	6.7
123.04433	1.2
123.08017	1.3
129.10216	2.9
130.06496	1.4
131.07022	3.6
133.08604	63.5
136.07591	1.7
140.10693	3.0
145.08528	1.1
147.04372	2.0
147.10152	1.4
159.09148	3.0
161.11693	1.8
165.05522	1.3
167.06918	1.4
175.09666	2.1
175.13321	5.1
177.11211	23.3
221.13931	6.1
244.04678	1.2
265.16504	1.3
283.17627	1.6
327.20120	1.8
348.79175	1.3
371.22736	2.7
408.30975	2.4
415.25366	15.4
589.37488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01865	1.8
55.05507	8.2
57.03434	10.6
57.07076	42.3
61.02931	1.8
62.03595	1.5
67.05505	17.7
69.03404	1.7
69.07061	6.2
70.43950	1.4
71.04970	2.6
73.02914	1.8
74.86253	1.3
79.05486	13.9
81.03423	4.6
81.07056	16.4
83.04965	3.5
83.08613	5.9
85.02888	4.4
89.06034	3.5
91.05505	7.1
93.07041	19.2
95.04947	4.6
95.08606	19.2
97.02892	4.1
97.06548	1.6
97.10145	1.8
99.04482	3.1
105.07030	6.3
107.04954	4.0
107.08585	17.1
109.06520	1.9
109.10137	7.3
117.07021	4.7
119.08606	8.2
121.06496	5.0
121.10154	8.2
123.08119	2.0
127.11189	16.7
129.06978	2.1
133.10114	4.3
135.11702	28.2
143.08496	1.5
145.10132	15.5
145.12263	6.0
156.92406	1.7
163.11174	43.1
181.12227	6.9
199.15314	1.4
201.14853	100.0
227.12770	50.6
278.05536	1.6
283.15390	62.3
298.84448	1.6
404.73141	1.6
409.25845	78.4
410.26047	1.7
606.33295	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	606.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05513	7.1
57.03437	1.9
59.04989	0.9
61.02919	1.9
67.05178	1.3
67.05507	14.6
69.03424	1.5
69.07063	3.5
70.06576	1.4
70.14447	0.8
71.04996	2.1
71.49166	1.1
79.05505	10.4
81.03416	3.4
81.07060	10.3
83.04974	1.5
83.08602	5.8
85.02907	3.1
85.06541	1.1
86.09712	1.8
91.03957	0.8
91.05476	9.2
93.07040	7.8
95.04966	13.5
95.08611	6.4
97.02895	1.9
97.06535	1.6
97.10149	7.4
105.07043	6.1
107.04961	2.9
107.08604	7.3
109.02873	1.5
109.06526	2.6
109.10159	5.3
111.08081	1.4
117.07029	2.9
119.08571	4.6
121.06512	1.9
121.10172	4.5
123.08102	2.1
124.99940	1.1
125.09626	6.1
127.03873	0.9
128.06175	1.0
129.07021	2.3
131.08568	6.0
133.06453	1.2
133.10149	3.8
135.08017	1.9
135.11681	2.7
136.06190	2.8
143.08557	1.5
145.06442	1.5
145.10130	5.1
147.08076	1.1
147.11696	2.7
149.09663	1.6
155.08569	1.3
157.10130	2.9
159.11765	2.6
161.09557	1.3
161.13274	1.1
163.11240	3.2
165.12694	1.0
169.10152	1.7
171.11696	2.8
172.76176	0.8
173.04465	1.0
173.09665	1.3
174.06667	0.8
177.12776	1.5
183.11711	1.2
184.07338	3.1
185.13295	1.5
187.11143	1.3
189.05429	1.2
189.11211	2.1
189.12779	1.9
193.12126	0.9
205.12309	2.2
207.13780	0.8
219.13785	1.0
223.11404	0.8
223.13330	3.2
271.20502	1.6
273.14993	0.8
281.18915	1.7
283.13339	0.8
289.21530	3.8
292.37054	0.8
299.20074	7.5
301.14325	0.8
302.14612	2.0
317.21124	27.8
335.22202	2.0
353.23135	1.1
391.24835	11.5
409.25851	100.0
410.26135	4.0
427.26953	11.8
567.18506	0.9
588.32190	1.7
606.33307	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	606.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27405	1.7
56.05013	2.7
56.24600	2.2
58.35706	1.7
68.05022	4.3
69.07065	14.6
70.06596	1.9
71.47842	1.9
71.49339	1.7
73.04014	3.5
74.00564	1.7
76.28112	1.9
84.04504	36.6
84.08139	3.7
85.02905	5.0
85.04042	9.5
86.09705	100.0
94.02927	4.3
95.01332	10.1
96.04474	2.6
96.08115	7.8
97.04014	5.5
102.05542	19.8
109.04012	13.9
111.05576	3.3
113.10757	5.7
121.03970	2.7
121.06511	2.3
123.04414	2.8
124.04006	3.0
124.07545	7.3
130.04993	22.7
137.03467	21.4
139.03961	2.4
139.05006	3.6
141.10217	17.0
142.05045	2.0
148.06049	55.6
149.03450	3.5
163.03812	2.9
165.02950	8.7
165.58327	1.8
167.04535	4.1
168.06467	2.0
170.04539	1.9
173.05809	2.2
174.06645	3.4
175.04892	2.7
177.03020	2.2
178.04861	2.1
179.04475	3.4
181.02489	3.2
181.41766	1.9
183.04021	4.8
187.04980	2.8
193.06097	2.3
193.13425	2.0
195.03981	14.3
200.04475	2.3
202.06131	19.4
203.04533	10.6
205.06119	2.9
209.06894	1.7
209.12984	2.3
211.03435	3.3
211.07167	5.4
220.07159	19.7
222.12288	2.1
229.08209	8.4
231.04031	7.0
234.12424	3.1
243.13492	5.1
248.06703	3.7
249.05260	2.1
250.11807	3.0
253.11818	10.4
255.06129	4.2
261.14478	41.9
267.06104	5.8
271.12909	18.8
273.07153	2.6
281.11276	6.8
297.07056	3.3
299.12372	35.8
312.32837	2.2
316.15439	13.2
333.15601	5.3
344.12469	2.4
351.16736	3.2
352.14905	3.1
362.13635	3.9
397.17169	7.4
462.55994	2.2
490.19272	13.5
508.20343	11.8
509.18527	2.9
514.58136	2.0
526.21014	2.5
527.19812	4.8
544.22412	7.9
589.19806	6.5
607.34009	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	605.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39509	2.1
53.03935	5.2
55.01870	13.1
55.05275	2.1
55.05515	30.6
57.03428	8.0
57.07081	46.5
57.50000	1.7
59.04981	2.0
61.69970	1.7
65.03932	5.3
67.05507	73.0
69.03427	2.0
69.07075	28.0
69.52678	12.5
71.05004	3.1
71.08636	33.3
75.38506	1.6
79.05498	50.5
81.03434	4.3
81.07056	91.4
81.18903	1.8
83.04977	6.3
83.08614	26.6
85.06537	3.6
85.10179	19.2
88.61951	1.7
89.06014	2.4
91.05481	36.7
93.07044	40.7
95.04962	6.4
95.08609	56.4
97.06520	18.5
97.10188	13.4
99.08111	2.6
103.07564	1.8
104.88126	1.7
105.07027	41.1
107.04970	18.9
107.08587	34.9
109.06545	11.8
109.10167	33.7
111.08121	4.1
115.05421	2.4
117.07009	11.7
119.08588	35.6
121.06497	6.1
121.10152	18.5
123.08064	4.6
123.11715	12.3
125.09612	9.1
129.06996	4.4
131.08566	18.7
133.10132	24.9
135.08057	10.1
135.11703	6.8
137.09618	3.5
137.13272	3.9
141.07022	2.4
143.08545	4.7
145.10124	22.7
147.11681	20.6
149.09624	24.8
149.13252	3.6
157.10088	4.2
159.11679	11.7
161.09573	3.2
161.13248	5.4
163.11183	9.8
163.14844	2.5
165.12761	5.8
167.51559	1.8
171.11665	4.8
173.13258	8.2
175.11186	3.6
177.12720	5.6
183.11621	3.6
185.13281	2.9
187.11156	2.1
189.11238	5.9
197.13226	3.1
227.12834	8.8
229.19653	2.3
239.17926	7.6
239.23711	8.6
247.20560	6.2
257.19009	14.3
271.17108	2.6
275.20081	100.0
293.21121	9.7
313.27377	64.1
331.22672	2.7
331.89078	1.9
349.23752	36.0
465.10040	2.1
483.36600	2.4
587.46667	35.9
605.48358	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	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30538	1.9
53.03941	5.1
54.07972	2.2
54.81444	1.8
55.01874	18.4
55.05513	18.7
57.03430	8.5
57.07073	28.4
67.05507	46.9
69.03416	2.5
69.06733	2.7
69.07071	26.8
69.64565	1.9
70.70358	1.8
71.04999	3.4
71.08627	21.2
73.25104	1.9
73.77764	1.7
79.05492	28.9
81.03419	5.5
81.07057	55.4
83.04977	6.8
83.08603	13.6
85.10183	8.3
91.05481	42.8
93.07043	32.2
95.01331	3.8
95.04988	9.8
95.08609	44.3
97.06525	27.2
97.10155	5.9
98.20763	7.9
105.07033	50.0
107.04967	19.0
107.08590	20.4
109.06513	8.7
109.10142	20.1
111.08041	3.2
114.25672	2.1
117.07000	13.2
119.08589	30.3
121.06490	4.8
121.10162	12.1
123.04443	3.1
123.08085	8.9
123.11689	4.8
125.09610	2.9
131.08583	14.2
133.10133	34.3
135.08038	4.6
135.11708	7.1
137.09619	5.5
139.86412	2.3
141.06982	2.2
143.08562	4.0
145.10120	14.7
147.11693	13.1
149.09627	11.0
149.13264	4.1
151.11174	4.6
157.10190	3.1
159.11711	9.1
161.13280	5.3
163.11154	4.5
165.09039	4.2
171.11742	2.6
173.13245	5.4
177.12727	5.4
178.13124	2.0
179.14301	7.2
185.13304	2.3
187.11137	2.1
187.14822	2.4
188.08945	2.1
197.13274	2.4
219.17421	10.0
239.17932	3.5
239.23726	3.2
247.20648	6.5
253.14449	3.7
257.18991	7.9
275.20074	100.0
293.21112	13.5
313.23746	2.6
313.27353	50.7
319.25107	2.1
349.23730	29.2
552.22388	2.6
562.05444	2.3
587.46674	70.1
605.48132	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	605.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10746	0.1
71.14331	0.2
89.06028	0.6
91.05492	0.3
94.11455	0.2
102.55647	0.1
103.05497	0.2
103.34679	0.2
115.05465	0.3
117.05788	0.2
117.07008	1.8
132.08034	0.3
132.41655	0.2
133.08612	0.3
140.82639	0.1
143.07286	1.5
144.08084	100.0
145.06441	0.3
145.08415	0.7
153.05472	0.3
155.06018	0.2
161.10745	19.5
163.03889	0.2
283.17511	1.3
297.57153	0.2
522.99231	0.2
538.35474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
53.61007	2.0
55.01881	2.4
55.05516	12.2
57.03439	3.5
57.04471	2.6
60.56171	1.9
61.02921	2.5
62.90731	2.0
67.05241	1.9
67.05515	23.4
69.03423	17.5
69.07080	16.6
70.06272	1.8
70.06605	16.6
71.04959	4.2
71.49809	2.2
72.08141	2.3
76.90986	2.0
79.05489	8.9
81.03424	14.7
81.07058	25.8
83.04987	12.1
83.08618	7.6
84.08137	8.5
85.02916	13.0
85.06573	4.5
86.09695	8.2
87.00836	5.4
91.05515	12.2
93.07053	15.9
95.04975	6.9
95.08601	31.3
97.02890	9.6
97.06535	2.7
97.10188	4.2
99.04443	2.6
99.08096	6.3
105.07028	13.0
107.04940	2.8
107.08602	28.4
109.02883	15.3
109.06518	8.5
109.10162	89.3
110.06034	2.1
111.08068	5.0
113.09705	2.4
119.04974	2.2
119.08590	38.4
120.08131	4.4
121.06535	1.9
121.10130	10.2
123.04401	3.3
123.08092	13.0
123.11704	11.2
127.03919	20.4
127.08799	2.0
128.39813	1.9
131.08554	2.5
133.10147	23.4
135.08083	2.9
135.11694	100.0
136.07584	2.8
137.05933	2.3
137.09645	14.7
139.11179	2.5
143.08446	2.6
145.06567	2.2
145.10109	3.2
147.11684	5.1
149.09624	2.6
149.13254	8.4
151.11188	7.8
151.14830	12.1
153.12787	5.0
165.16463	3.5
175.03891	2.6
175.14844	37.4
177.05464	2.6
189.05402	2.4
193.15887	69.7
207.06532	2.2
211.16936	61.3
301.14322	3.8
319.79581	2.1
337.12427	2.0
357.08130	2.0
545.13904	3.1
585.30914	3.1
603.38727	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	604.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02885	3.8
53.03935	12.7
53.98851	3.9
55.01854	5.6
55.05516	35.3
57.03426	6.9
57.07069	6.7
67.05506	100.0
69.03438	40.9
69.07060	23.0
69.60004	8.7
69.60421	20.6
71.04983	7.5
72.96286	3.8
73.02901	6.4
77.70781	3.1
78.42071	3.5
79.05491	62.7
79.93716	3.5
81.03415	57.2
81.07053	83.7
83.04967	11.4
83.08614	9.7
85.02915	25.3
87.97527	3.6
89.93369	3.5
91.05480	58.0
93.07053	60.5
95.04955	8.6
95.08608	67.0
97.02897	31.9
97.06519	6.7
97.10170	8.0
98.21513	5.8
99.04461	7.4
105.07024	43.7
107.04976	5.9
107.08606	37.4
109.02866	13.3
109.06487	8.0
109.10158	25.9
111.04433	7.7
111.08106	4.3
116.06230	4.0
116.07018	6.3
117.07041	24.3
119.04928	31.2
119.08585	35.7
121.10161	34.7
123.08086	8.3
123.11692	10.7
125.09691	4.7
127.03902	11.2
129.07002	11.5
130.07780	4.2
131.08572	36.0
133.06429	4.2
133.10146	27.3
135.11723	20.3
137.09599	5.4
141.07028	4.3
143.08559	17.8
145.10106	27.7
147.04408	93.1
147.11659	22.3
149.09557	6.1
149.13243	15.1
155.08562	8.1
157.10083	18.3
159.11702	27.7
161.13251	11.4
163.11110	4.4
167.05640	3.8
169.10205	6.7
171.08052	4.3
171.11719	10.3
173.13269	16.0
175.11214	4.3
175.14902	4.8
175.49422	3.9
177.12744	9.2
183.11716	8.5
185.09634	5.2
185.13274	12.2
187.11145	5.6
187.14864	8.0
197.13217	4.4
199.11214	5.5
199.14890	7.1
201.16444	4.4
209.13350	6.3
211.14853	4.5
213.12671	4.5
235.13255	4.5
243.21445	4.3
255.95006	4.1
259.20599	6.8
259.25122	3.5
261.22122	15.4
277.21646	7.3
285.22165	6.0
289.21527	8.6
291.23062	8.0
300.75525	4.0
303.23132	10.3
315.22992	9.8
327.23111	4.4
341.24832	10.6
351.23352	10.2
369.24289	33.4
387.25247	23.7
405.26282	22.5
417.16391	3.9
463.34506	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	602.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01879	2.7
55.05512	32.1
57.07071	16.7
59.04999	4.0
65.03937	4.7
67.05509	19.2
69.03434	3.2
69.07066	17.0
69.83546	5.0
69.83955	3.8
71.04993	5.3
71.08633	5.7
71.91978	1.7
78.96593	1.5
79.05496	31.5
80.06278	2.9
81.03418	3.6
81.04344	1.8
81.07055	47.7
83.04993	9.0
83.08619	44.1
84.74198	2.0
85.06539	5.3
85.10170	4.8
87.04462	4.1
87.36103	1.7
89.06034	11.0
91.05477	49.6
93.07046	56.8
95.04977	22.7
95.08612	23.9
97.06529	16.4
97.10188	1.6
98.21415	2.8
99.04503	4.0
103.05477	5.3
105.07034	97.4
106.07830	2.9
107.04991	2.9
107.08597	51.7
107.09318	3.2
108.09402	2.1
109.06522	8.4
109.10158	23.8
111.08081	4.1
113.09641	5.9
115.05468	5.0
116.06253	2.2
117.07015	20.9
119.08579	100.0
120.09399	8.0
121.06522	4.0
121.10143	40.9
123.08072	17.1
123.11727	6.7
125.09646	11.8
128.06187	9.8
129.07014	13.4
130.07794	8.3
131.08571	42.3
131.09535	2.9
132.09340	6.6
133.06543	1.8
133.08652	7.9
133.10130	57.7
133.11107	3.4
134.10887	6.7
135.08052	3.5
135.11679	15.0
137.09622	6.3
138.10434	3.5
139.11192	9.4
141.06992	7.3
142.07784	19.8
143.08566	42.5
144.09367	14.2
145.06487	3.0
145.10123	82.7
146.10892	3.4
147.08029	3.9
147.11708	28.0
147.75479	1.6
149.09634	8.4
149.13271	3.0
153.07008	3.5
153.12730	2.0
154.07727	3.5
155.06097	1.8
155.08572	13.4
155.10648	10.5
156.09355	16.9
157.10135	53.9
158.10889	11.6
159.08066	5.5
159.11684	37.1
160.08829	19.6
160.12367	2.6
161.05965	1.7
161.09662	5.4
161.13252	7.7
163.11261	4.4
163.14771	1.7
165.07063	4.2
165.42168	1.7
167.08568	8.2
167.10693	5.6
168.09352	4.3
169.10129	28.3
170.10904	8.4
171.10271	3.7
171.11679	32.7
172.12447	4.0
173.13275	21.2
175.11266	3.8
175.14803	14.0
177.12672	3.1
179.08609	4.9
179.14224	2.1
180.09413	2.7
181.10217	12.3
181.12215	22.1
182.10910	6.3
183.11711	19.9
183.13731	4.2
184.12509	5.5
185.09616	2.3
185.13298	14.3
186.14044	6.5
187.11104	2.6
187.14783	11.7
189.12674	3.6
191.14326	6.6
193.10135	9.9
194.10938	7.2
195.11717	16.5
196.12509	9.7
197.13242	32.5
198.14055	5.0
199.14775	11.5
200.15723	1.9
201.12735	2.5
201.16379	6.4
203.14365	4.0
205.10167	2.3
205.15762	2.1
206.10893	3.5
207.11702	10.1
207.13528	2.0
208.12599	4.3
208.14517	3.0
209.13269	21.7
209.15129	2.9
210.13976	5.8
211.14812	17.9
213.16397	14.1
217.15883	4.1
219.11687	3.1
220.12517	2.9
221.13663	10.6
221.15125	11.1
223.14803	12.3
225.14705	29.5
226.17149	2.7
227.18044	2.0
229.15742	2.3
233.13304	3.7
233.15356	18.1
235.14871	6.5
237.16380	6.9
239.18019	2.9
241.15930	2.1
241.19514	5.0
246.16208	3.6
247.14789	3.9
247.17151	2.9
249.16393	4.1
253.19560	3.1
259.14850	2.0
259.17346	2.6
259.20612	4.5
261.16385	3.2
263.17978	6.5
265.19446	4.6
273.18658	2.4
276.18814	2.2
277.19455	3.8
281.18793	2.3
286.19363	7.8
291.21082	3.5
298.22720	2.1
299.20071	5.2
307.20587	2.0
311.20361	2.9
311.23721	2.2
324.24332	2.3
325.21954	2.4
333.25842	2.9
351.26801	10.6
367.26147	3.2
441.31769	2.4
464.32806	3.2
492.36038	3.0
510.37259	4.3
566.40955	1.9
584.41833	3.4
602.43152	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	601.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01863	7.8
55.05511	41.6
56.05169	2.0
57.03426	5.6
57.07076	35.8
59.04985	4.5
67.05182	2.6
67.05505	35.5
69.03425	5.2
69.07069	14.9
71.04973	1.9
71.08633	18.7
79.05494	34.2
81.03407	1.9
81.06596	3.1
81.07057	37.8
83.04974	4.8
83.08627	21.9
85.06525	2.2
85.10184	13.8
87.04470	3.2
89.06029	7.8
90.01905	2.1
91.04910	2.2
91.05480	34.0
93.07045	22.0
95.04970	5.0
95.08607	25.0
97.06507	2.1
97.10172	35.5
103.05453	2.7
105.07037	16.3
107.04914	3.6
107.08604	24.8
109.06525	5.4
109.10172	12.3
111.08071	2.4
115.05443	14.4
116.06210	1.9
117.07014	52.5
117.09116	1.8
119.08579	57.8
121.06520	5.0
121.10145	6.4
123.08063	3.7
123.11717	3.2
125.09631	28.0
127.85522	1.6
128.06209	2.9
129.07022	8.2
131.08566	12.8
133.06508	2.3
133.08594	4.5
133.10114	5.3
135.08041	10.3
135.11685	3.4
140.10815	1.5
141.06979	2.6
142.07759	4.9
143.08543	12.2
145.06482	62.4
145.10164	9.9
146.30965	1.9
147.08057	8.5
149.09671	3.3
151.07521	2.8
153.09091	7.3
155.08527	5.9
157.10162	11.0
159.08044	12.7
159.11670	4.4
161.09648	3.0
163.07545	3.0
165.09149	3.5
169.10133	4.5
171.10307	1.9
171.11693	4.9
173.09595	3.6
175.11185	3.5
181.10220	1.8
183.11722	5.3
189.11229	32.1
189.12762	2.2
221.15379	5.7
222.15703	2.1
225.16437	3.4
227.12778	25.3
235.14709	2.4
243.17419	8.5
253.15874	5.0
261.18405	2.0
271.16931	100.0
273.18307	2.3
289.17929	19.2
291.19467	4.1
313.27463	15.9
327.19452	2.6
345.20636	15.2
363.21481	2.6
391.06534	1.7
441.29370	1.7
483.36392	5.4
505.90494	1.7
515.42542	1.6
521.35614	2.1
583.43573	15.9
601.44531	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	601.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
57.03426	3.9
57.07079	100.0
58.04223	8.9
59.05000	28.6
67.05500	5.6
69.07071	4.6
69.43819	12.4
71.04992	2.7
71.08634	63.9
72.05788	11.0
73.02930	3.6
73.06562	15.5
79.05476	4.9
81.03403	2.9
81.07057	6.7
82.07784	2.1
83.08617	5.4
85.10188	51.3
86.07305	2.0
87.04465	19.8
88.05268	3.7
89.06036	24.5
90.01922	40.9
91.05484	2.9
92.61816	2.0
93.07011	4.1
95.04981	1.6
95.08614	7.6
97.10167	5.0
97.13171	1.6
99.11743	10.0
101.06017	2.0
103.07584	14.3
105.07032	3.5
107.08578	3.9
109.06461	1.6
109.10165	3.0
113.13287	1.7
116.08367	4.6
117.07005	2.7
117.09148	13.7
119.08562	5.6
123.11678	2.7
125.09637	1.9
131.07068	2.3
131.08539	2.0
133.08612	13.5
133.10104	3.8
145.10083	2.9
147.10199	2.8
151.07446	1.8
152.15601	5.5
155.17941	6.5
157.10069	3.6
161.11711	4.8
164.91119	1.7
165.09091	3.0
165.11229	1.9
169.10146	1.9
177.11223	4.6
178.07153	5.6
179.12759	3.1
180.12259	1.9
183.17412	5.9
189.01434	1.8
199.20534	2.7
208.15440	3.9
212.21292	2.7
213.22133	6.2
221.15387	3.5
222.09717	5.7
233.73099	1.5
234.41948	1.7
249.68279	1.6
257.24808	3.1
266.12320	4.4
266.19562	3.1
271.16791	2.4
278.71692	1.7
282.19107	2.1
296.20682	4.9
312.20114	4.1
341.86389	1.6
362.32538	2.7
372.18658	7.0
445.11703	1.8
450.37982	16.1
521.35663	2.1
553.24457	2.1
601.42676	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60651	1.0
51.86037	0.9
53.03943	4.1
54.52429	0.9
55.01873	1.8
55.05517	9.9
57.03427	1.5
57.07077	15.8
59.04993	3.5
62.96892	0.9
65.03945	2.7
67.05505	18.2
69.03425	8.0
69.07077	6.9
71.04999	2.0
71.08643	4.8
72.05157	1.1
73.83611	1.2
77.03903	0.9
79.05495	12.5
80.10207	0.9
81.03413	14.4
81.07059	21.5
83.04984	3.7
83.08623	7.0
83.54305	0.9
85.06550	2.6
85.10188	1.9
87.04443	1.7
89.06034	3.9
91.05477	26.4
93.07043	31.8
95.04963	5.6
95.08604	26.0
97.06532	4.3
97.10184	1.7
103.05489	3.3
105.07031	36.9
106.07352	1.1
107.04967	2.8
107.08593	23.2
108.05753	1.1
109.06516	8.0
109.10162	12.1
111.08083	2.3
113.09637	1.4
115.05458	4.3
115.76977	1.0
117.07017	9.6
119.08581	39.1
121.06517	6.3
121.10141	19.6
123.08072	15.2
123.11702	2.6
125.05995	2.6
125.09610	1.9
128.06219	4.3
129.06992	8.1
130.07802	2.5
131.04948	1.7
131.08556	14.5
133.06503	3.8
133.08600	2.1
133.10117	21.8
135.08046	10.0
135.11685	7.6
137.05951	1.3
137.09619	11.3
139.11165	1.5
141.06990	2.4
142.07793	7.2
143.08589	13.9
144.09343	3.8
145.06494	1.2
145.10120	25.0
147.04434	1.3
147.08047	22.4
147.11697	9.1
149.09612	3.9
151.07538	12.6
153.07028	1.4
153.09148	1.0
154.07773	1.2
155.08582	5.0
155.10715	1.3
156.09351	4.7
157.10129	17.8
158.10941	2.3
159.04460	2.4
159.08084	2.8
159.11687	15.9
160.05222	4.7
161.05981	5.4
161.09561	5.1
161.13297	4.6
163.11143	5.4
165.07045	2.0
165.09116	38.6
167.08595	2.7
167.10703	1.3
168.09409	2.2
169.10101	9.0
170.10909	3.7
171.11702	11.9
173.05995	5.4
173.09621	3.1
173.13248	6.2
175.11200	4.0
175.14793	6.6
177.09175	1.3
177.12819	1.8
179.08568	3.4
179.14383	1.2
181.10156	3.7
181.12231	8.2
182.10948	3.0
183.11674	8.5
185.13249	7.9
187.07512	2.4
187.11208	1.6
187.14793	5.4
189.12799	3.9
191.14403	2.4
192.09422	1.3
193.10187	2.6
193.12144	1.2
194.10953	2.2
195.11713	6.0
195.13507	1.6
196.12375	2.0
197.13269	6.2
199.14813	2.5
201.16339	2.8
201.95660	1.0
203.10677	2.3
203.14310	16.9
205.10110	1.4
205.15935	1.1
206.11002	1.6
207.11723	4.2
207.13838	7.9
208.12500	2.1
209.13234	6.7
209.15071	1.5
211.14914	4.8
213.12767	2.0
213.16393	2.4
217.15892	1.1
219.11734	1.7
220.12473	1.8
221.13316	6.3
221.15353	100.0
223.14870	4.5
225.16483	1.6
227.14346	1.8
229.15903	1.3
233.13286	1.9
233.15369	1.5
234.16045	1.7
235.14877	3.1
237.16489	2.0
241.16043	1.1
243.13861	1.8
247.14778	2.2
247.17044	3.4
249.16347	1.2
253.15886	1.1
261.16226	1.4
263.18024	1.9
263.64948	1.1
265.19617	1.2
271.13223	11.5
275.17868	1.3
277.19513	1.8
286.19318	2.5
287.20041	4.1
289.14398	1.7
295.20688	1.0
299.20218	2.3
300.20950	1.5
301.21750	1.6
303.21399	1.1
313.21585	1.7
313.27405	6.6
325.21948	1.6
345.17090	3.3
353.08325	1.1
365.24686	1.6
367.26401	2.7
375.26782	2.8
393.27780	1.6
455.31842	1.4
491.35129	7.3
509.36057	4.2
521.36505	3.7
565.40356	2.4
583.41333	12.7
601.42023	44.4
602.42346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01878	2.0
55.05516	11.2
57.07077	12.8
59.04995	4.0
60.21584	1.1
65.03938	1.7
67.05507	17.2
67.37206	1.0
69.03440	8.9
69.07072	10.7
71.04996	2.1
71.08632	3.4
71.49976	1.3
79.05492	14.3
81.03419	1.9
81.07060	22.7
83.04974	4.4
83.08608	7.2
85.06538	4.4
85.10188	3.8
85.10709	1.1
87.04481	1.4
89.06044	3.9
91.05482	24.8
91.06022	1.6
93.07045	37.2
93.07639	1.9
95.04994	6.9
95.08606	26.2
95.09173	1.7
96.00470	1.2
97.06525	4.5
97.10160	1.5
103.05463	1.4
105.04467	1.2
105.07039	36.9
106.07337	1.5
107.08606	25.0
109.06517	10.9
109.10160	15.0
111.04460	1.2
111.08092	2.4
115.05503	3.3
117.07025	11.6
119.04971	1.2
119.08582	45.7
119.66655	1.1
121.06532	5.1
121.10143	26.0
123.04471	1.3
123.08076	16.5
123.11721	3.2
125.05978	5.7
125.09645	3.1
128.06252	4.6
129.06998	7.2
130.07813	3.3
131.08571	16.6
133.06602	2.8
133.08606	2.5
133.10132	25.1
135.08055	11.5
135.11710	8.8
137.05969	1.4
137.09607	12.1
139.11198	2.5
141.07002	1.6
142.07773	7.9
143.08569	15.1
144.09366	4.3
145.10138	29.3
147.08046	25.2
147.11665	7.8
148.08507	1.3
149.09647	6.0
151.07555	12.0
151.11218	2.3
153.07031	1.2
154.07794	1.9
155.08539	6.9
156.09352	7.1
157.10143	21.0
158.10738	1.7
159.08080	3.1
159.11697	16.9
160.98978	1.1
161.09697	6.2
161.13239	5.4
163.11191	6.9
165.07045	2.8
165.09120	52.2
167.08592	3.5
167.10741	5.2
168.09377	3.3
169.10156	12.6
170.10883	2.7
171.11688	12.2
173.09596	2.8
173.13260	8.5
175.11328	3.2
175.14888	6.6
177.08998	1.5
177.11382	1.3
179.08585	3.4
179.14403	1.5
180.09357	2.3
181.10236	5.8
181.12225	11.5
182.10982	2.3
183.11703	11.0
185.09625	1.8
185.13271	8.2
187.11256	2.8
187.14914	5.4
188.11842	1.2
189.12810	4.8
191.10582	1.5
191.14334	2.1
193.10190	3.0
194.10918	5.1
195.11693	5.6
195.13632	1.3
196.12520	2.5
197.13272	8.2
199.14900	3.7
201.16553	2.5
203.14355	17.5
205.15900	1.5
206.10948	1.9
207.11728	4.3
207.13838	6.6
208.12486	2.4
209.13324	7.6
209.15358	3.2
211.11253	2.2
211.14896	5.0
213.12714	1.8
213.16258	1.9
219.11729	2.5
219.13788	1.5
219.17416	1.4
221.13361	5.2
221.15363	100.0
222.15820	1.9
223.14833	3.4
225.16571	1.9
232.12500	1.3
233.13258	2.0
233.15450	3.0
234.14067	1.4
234.16185	1.8
235.14914	5.2
237.12897	1.3
237.16495	4.3
247.14740	2.1
247.17053	2.9
249.16586	2.1
263.18158	1.5
265.19699	1.7
267.17529	1.3
271.16989	1.3
279.21140	1.4
285.18579	1.8
286.19250	2.0
287.20154	4.4
291.21210	1.2
299.20123	3.8
300.20953	1.6
301.21686	3.4
311.20459	1.4
337.00607	1.3
353.24591	1.3
367.26425	3.5
491.35474	11.0
503.35028	1.6
509.36188	3.3
521.36206	3.9
565.40155	2.4
583.41473	15.6
601.42493	44.4
602.42706	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64658	2.4
53.03937	5.7
55.05502	10.7
57.07082	17.0
59.04994	3.4
65.03922	3.2
67.05502	17.1
69.03419	7.3
69.07062	10.5
69.23418	4.7
69.23817	20.1
70.06600	2.6
71.08621	3.6
79.05495	19.7
81.07063	32.9
83.08627	3.5
85.06544	3.7
85.10168	3.2
89.05994	3.1
91.05486	30.2
93.07045	42.9
95.04951	7.9
95.08604	23.4
97.06527	5.7
105.07034	48.8
107.08599	27.6
109.06541	11.8
109.10159	13.3
109.77985	2.3
115.05484	2.9
117.07011	11.1
119.08590	48.1
121.06486	6.6
121.10144	25.0
123.08093	17.4
123.11700	4.2
125.05968	4.0
128.06206	4.6
129.07014	9.8
130.07774	5.3
131.08563	19.3
133.10127	28.5
135.08084	12.8
135.11665	8.6
137.09607	11.4
142.03029	2.5
142.07765	9.2
143.08563	17.5
145.10144	37.0
147.08075	27.4
147.11668	9.4
149.09619	6.1
151.07561	16.5
155.08524	5.5
155.90657	2.5
156.09308	7.3
157.10173	21.6
158.10878	2.8
159.11707	21.1
161.09573	7.6
161.13203	6.8
163.11177	9.3
165.09113	48.3
167.08540	2.9
169.10109	14.1
170.10909	3.8
171.11655	13.7
173.09698	3.2
173.13261	7.8
175.11157	4.4
175.14821	4.5
179.08600	3.4
181.10185	6.0
181.12213	8.2
182.10880	5.6
183.11702	9.2
185.13240	10.5
187.11107	3.3
187.14822	7.9
189.12721	5.8
191.14233	4.3
193.10159	4.5
195.11748	6.0
197.13367	7.7
199.14821	3.9
201.12766	3.3
203.14325	15.7
207.11772	3.7
207.13747	6.3
209.13240	5.8
209.15178	2.4
211.14815	4.8
213.16389	4.0
221.13449	4.7
221.15372	100.0
222.13625	2.9
222.15675	6.6
223.14839	4.0
235.14713	3.3
247.17044	5.7
271.16931	4.9
275.18011	2.8
285.18506	2.9
287.20010	4.4
299.20111	3.7
301.21674	5.8
313.21649	4.2
353.24338	3.9
363.78409	2.3
367.26321	9.8
375.26596	3.0
393.27856	6.7
441.29361	5.4
472.26651	2.7
491.35022	9.5
509.36249	5.1
521.36127	3.8
565.39905	3.3
583.41974	11.7
601.42505	43.4
601.55646	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01889	1.7
55.05507	5.5
57.07078	6.2
59.05000	3.7
67.05508	10.5
69.03430	6.1
69.07067	5.4
69.94019	1.9
71.00219	4.3
79.05495	13.1
81.07056	19.1
83.05012	3.4
85.06528	4.8
85.09875	1.6
85.52615	1.7
87.15936	1.7
89.04205	1.5
91.05483	23.0
93.07042	28.7
95.04993	6.5
95.08602	21.6
96.37007	1.7
97.06517	2.5
105.07032	31.8
107.08604	17.6
109.06528	9.2
109.10155	9.2
117.07030	7.0
119.08580	37.3
120.08901	3.1
121.06505	4.2
121.10148	19.0
123.08107	12.3
123.11733	2.8
125.05982	5.1
128.06229	2.7
129.07001	7.0
131.08574	15.1
133.10133	23.7
135.08064	8.4
135.11687	6.2
137.09634	11.8
139.07643	2.2
141.06984	2.2
142.07796	7.8
143.08606	9.6
144.09329	4.9
145.10124	24.5
147.08031	20.2
147.11714	5.8
149.09592	5.0
149.13240	1.8
151.07547	14.7
155.08578	4.5
156.09351	5.7
157.10136	21.0
158.10783	3.4
159.08040	2.7
159.11679	12.8
160.12115	1.9
161.09654	6.4
161.13271	5.3
163.11166	7.7
165.09123	42.4
166.09430	2.3
167.08542	2.3
168.09245	2.8
169.10126	8.8
170.10851	2.6
171.11664	9.7
172.12277	2.5
173.09657	3.0
173.13326	8.4
175.11209	5.9
175.14861	4.6
179.08485	3.2
180.09227	2.7
181.10086	4.4
181.12251	7.6
182.10841	2.2
183.11726	10.4
185.13255	4.5
187.11179	1.9
187.14798	4.8
189.12802	5.4
189.68625	1.7
190.13593	2.4
191.14130	3.1
193.10139	3.2
194.10815	2.1
195.11719	4.5
196.12296	1.7
197.09677	2.0
197.13272	6.5
198.13963	2.3
199.11082	1.7
201.12871	2.9
203.14359	16.8
205.29204	2.2
207.11832	3.6
207.13829	8.9
208.12483	3.3
208.14418	3.6
209.13275	6.8
209.15353	5.0
211.14774	4.1
220.14339	2.0
221.13289	5.4
221.15355	100.0
222.15721	8.8
223.14774	2.8
224.15591	1.9
225.16444	2.5
228.91669	1.7
234.16037	2.3
235.14842	2.9
247.16959	6.1
248.17383	4.1
259.14725	2.3
261.16061	2.0
263.17926	1.9
265.19315	1.8
274.19156	2.9
286.19254	3.5
287.20093	7.3
299.20050	5.2
300.20825	4.6
301.21683	4.0
311.20035	3.1
312.20630	2.3
313.21265	2.1
325.21533	2.6
326.22021	2.5
341.24512	2.6
346.39987	1.8
352.23987	2.5
353.24472	5.0
365.51468	2.1
367.26282	7.1
375.26770	2.8
378.25595	1.9
393.27798	3.3
440.29312	3.4
441.29669	8.6
491.35373	11.3
509.36005	4.8
521.36035	7.9
583.41272	10.8
586.39252	1.9
601.42242	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05502	4.7
57.07076	8.3
59.04991	2.5
61.35873	1.0
65.03933	1.2
66.61767	1.0
67.05522	10.1
69.03426	6.1
69.07069	5.1
69.50665	2.9
69.51091	4.1
77.19052	0.9
78.70847	0.9
79.05136	1.2
79.05495	11.9
79.47942	1.2
81.07059	16.9
83.04965	2.9
83.08600	2.6
85.06547	2.3
89.71939	1.0
91.05485	20.8
92.05759	1.3
93.07047	34.9
95.04961	6.1
95.08614	17.3
97.06528	2.2
98.20777	1.7
103.05453	2.0
105.07034	35.7
106.66083	1.0
107.08599	19.6
108.08939	1.5
109.06519	7.7
109.10136	7.2
111.08076	1.8
115.05456	2.4
117.07035	7.7
118.07375	0.9
118.13483	0.9
119.08587	36.4
120.08938	2.9
121.06513	4.3
121.10155	20.7
123.08073	15.3
123.11664	2.3
124.07497	1.0
124.08366	1.1
125.05952	4.8
125.09602	1.4
128.06223	3.2
129.06981	8.1
130.07765	3.8
131.08580	16.4
133.06514	2.6
133.10143	18.3
134.10452	1.4
135.08073	11.5
135.11676	6.7
137.09621	11.9
139.07561	1.2
141.07019	2.0
142.07764	6.2
143.08597	12.7
144.09288	3.4
145.10130	26.3
146.10574	1.4
147.08034	21.9
147.11671	6.1
148.08488	2.4
149.09612	5.4
151.07539	10.6
151.11209	1.1
153.06873	1.3
153.09122	1.3
155.08559	5.4
156.09357	5.2
157.10143	15.7
158.10738	2.2
159.08104	2.1
159.10483	1.4
159.11693	14.9
160.08466	0.9
161.09605	4.2
161.13257	6.1
163.11206	8.5
163.14818	1.0
165.09123	44.6
166.07967	1.1
166.09392	2.5
167.08545	2.0
168.09305	2.0
169.10159	11.4
170.10811	3.0
171.08047	1.5
171.11728	10.8
172.12135	2.0
173.09607	2.9
173.13269	7.6
174.13655	1.1
175.11182	4.4
175.14781	4.3
177.09113	1.6
179.08531	2.4
179.14374	1.2
180.09332	1.9
181.10126	3.3
181.12256	8.1
182.10902	2.6
183.11717	9.7
184.12120	1.4
185.09535	1.8
185.13271	6.3
187.11205	2.6
187.14796	4.7
189.12761	5.1
190.13489	1.4
191.10649	2.3
191.14151	3.0
193.10101	2.5
193.12263	2.6
194.10902	1.9
195.11685	6.4
195.13542	1.3
196.12285	1.5
197.13268	6.1
199.11183	2.1
199.14772	1.1
200.11668	1.4
201.12750	2.2
201.16406	1.5
203.14339	17.5
204.14668	2.2
206.10912	1.5
207.11678	4.1
207.13797	7.7
208.12401	1.9
208.14354	2.5
209.13205	7.1
209.15237	3.1
210.13730	1.3
211.14822	4.2
213.12746	2.5
213.16408	1.6
219.11761	1.7
220.12407	1.2
221.13483	4.8
221.15370	100.0
222.13794	1.5
222.15732	7.9
223.14720	3.1
225.16388	1.7
227.14236	1.6
229.15858	2.2
233.13182	1.8
234.16103	2.8
235.14665	1.9
235.16798	1.4
237.16409	2.6
247.14745	2.3
247.16968	7.2
248.17336	3.0
249.16283	1.9
253.19463	1.3
261.16379	1.4
263.14417	1.3
263.17670	1.5
274.19397	2.2
280.18008	1.3
283.20468	2.3
286.19357	2.8
287.20090	5.4
297.21869	1.8
299.20132	5.1
300.20660	4.8
301.21640	4.3
311.20023	2.2
312.20734	2.2
313.21564	2.5
325.21936	1.3
326.21838	1.4
328.23511	1.2
337.21753	1.2
340.23709	3.4
341.24310	2.5
352.23920	3.8
353.24252	4.1
365.24841	1.2
366.25348	2.2
367.26389	6.1
393.27780	2.4
406.83246	1.0
414.27023	1.5
420.29901	2.9
421.31088	1.5
426.26871	1.5
427.28238	2.7
428.29129	2.4
440.29150	2.2
441.29855	7.5
491.35135	8.3
509.35855	3.6
521.36096	8.0
565.40167	2.2
583.41296	8.4
601.42474	30.4
602.42584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05500	4.4
57.07079	8.7
59.04996	1.9
67.05508	10.2
69.03434	6.6
69.07068	4.5
69.50894	5.4
69.51302	1.7
71.08626	1.0
77.03927	1.4
79.05494	11.9
81.03400	1.2
81.07059	15.6
83.04969	3.6
83.08624	2.6
85.06544	2.4
91.05479	19.8
92.05819	1.6
93.07046	27.0
94.07405	1.2
94.95828	1.1
95.04967	4.4
95.08612	12.5
97.06545	2.4
103.05473	2.6
105.07034	30.7
107.08582	16.3
109.06538	7.2
109.10161	9.0
111.08070	2.0
115.05425	2.8
117.07034	6.0
119.08575	33.5
120.08841	1.5
121.06502	5.0
121.10143	17.8
121.10962	2.0
123.08069	14.2
123.11671	1.6
125.05982	3.9
128.06229	3.7
129.06976	5.4
130.07817	2.2
131.08574	13.0
132.08897	1.9
133.06531	2.4
133.10144	16.4
135.08067	7.4
135.11656	7.2
137.09602	10.5
139.07607	1.0
141.06979	2.3
141.34026	1.0
142.07755	5.7
143.08565	12.3
144.09311	2.0
145.10117	26.1
145.11172	2.1
146.10439	2.3
147.06932	2.2
147.08041	19.5
147.11681	4.9
148.08475	1.3
149.09656	5.8
151.07541	12.4
151.11163	1.1
155.08580	4.1
156.09337	5.0
157.10124	18.0
158.10814	2.3
159.08102	2.7
159.11716	11.9
160.08806	1.3
160.13573	1.2
161.09628	4.3
161.13264	6.1
163.11174	10.3
165.09117	38.8
166.09470	2.5
167.08553	2.5
167.10521	1.8
168.09364	2.0
169.10114	8.1
170.10832	1.7
171.11697	11.5
172.12334	1.7
173.13322	5.8
175.11128	4.7
175.14833	3.7
177.12801	1.5
179.08585	1.6
179.10689	1.9
181.10143	5.2
181.12230	9.9
182.10994	2.4
182.12534	1.9
183.11682	8.1
184.12376	1.1
185.13232	6.3
187.14796	3.4
189.12799	3.2
190.13573	1.6
191.14304	1.5
193.10120	2.5
193.12141	2.3
194.10863	1.6
195.11751	5.5
195.13362	1.2
196.12439	1.4
197.13329	6.1
198.13933	1.2
199.11189	1.8
199.14893	3.0
201.12770	2.8
203.14302	14.4
206.11008	1.4
207.11693	3.6
207.13803	6.0
208.12518	1.4
208.14484	2.3
209.13220	6.5
209.15131	2.5
211.14839	2.9
213.12805	1.8
213.16415	1.8
215.14268	1.7
219.11720	2.2
219.13678	1.7
221.13416	4.5
221.15358	100.0
222.13850	1.7
222.15723	10.1
223.14767	2.2
225.12738	1.8
225.16365	1.2
227.14232	2.2
234.16200	3.2
235.14795	3.4
235.16827	2.5
237.16406	3.1
239.14008	1.3
239.18011	1.9
241.15472	1.1
247.14748	1.3
247.17043	5.7
248.17343	2.4
259.17068	1.2
261.16330	1.5
274.19147	2.2
275.19769	1.5
278.78345	1.2
279.17743	1.2
283.20480	2.5
285.18533	1.9
286.19183	4.2
287.20029	5.8
299.20175	3.8
300.20816	3.8
301.21854	5.2
311.19733	1.6
312.20590	1.8
313.21478	2.8
325.21558	2.0
326.22043	2.0
327.22913	1.4
337.21527	1.4
340.24161	2.2
341.24301	2.1
349.25327	2.6
352.23947	4.1
353.24240	4.2
365.24606	1.6
367.26306	8.3
377.24841	1.7
378.25098	1.4
393.27597	2.6
426.26743	1.3
427.28427	1.2
428.28812	3.2
440.29272	3.7
441.29483	7.3
491.35291	8.3
509.36075	4.2
520.35553	1.4
521.35999	8.0
522.36414	1.7
583.41455	12.1
583.50739	1.6
601.42419	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	601.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39081	0.6
57.21333	0.7
70.06598	0.8
71.48254	0.9
74.02439	0.7
78.29706	0.7
89.03915	0.9
91.05479	0.9
115.05470	0.7
117.03389	1.1
118.06543	15.8
119.04887	0.7
130.06544	1.5
132.08122	4.1
135.04425	2.1
142.06483	2.5
143.07297	1.8
144.08078	12.0
144.09122	1.2
145.02846	1.6
146.06015	59.7
156.25301	0.7
159.09186	6.2
160.07536	1.1
163.03896	10.2
170.06015	4.4
188.07071	100.0
189.07382	1.4
205.09735	44.3
234.96861	3.4
248.94997	1.1
252.97931	3.7
302.99643	0.8
330.98734	1.2
409.02258	5.5
427.03256	1.6
449.08835	0.7
566.09149	0.7
601.12988	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	600.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64830	1.0
55.05507	2.5
57.07074	100.0
57.17801	1.0
57.35681	1.3
59.05000	14.8
69.07046	1.1
69.27720	10.4
71.08630	74.1
73.06570	2.3
73.44878	1.0
83.08612	2.3
85.09659	2.5
85.10181	60.1
87.04466	8.0
89.06029	92.8
91.05476	1.5
91.07616	1.4
93.07047	2.2
95.08605	1.6
97.10141	1.9
99.11729	10.9
103.07595	7.1
105.07008	2.6
107.08611	2.1
113.13287	4.2
117.09088	3.4
121.10145	1.5
126.77574	1.0
131.07033	4.6
133.08600	73.7
135.11684	1.1
143.08554	1.5
155.17953	5.7
157.10011	1.3
165.09175	2.1
175.09659	4.7
177.11215	32.6
213.22107	6.8
219.12234	2.2
221.13605	5.4
227.19926	1.2
257.24774	2.8
265.16415	2.1
283.17462	2.2
327.20023	2.4
356.86981	1.1
371.22748	18.4
411.25690	3.0
417.61765	1.1
467.49753	1.2
583.43994	3.0
600.46606	1.8
604.68976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72521	1.0
55.05506	3.4
57.07077	95.8
59.04713	2.0
59.05002	34.6
67.05504	1.4
69.07068	4.0
71.08633	100.0
71.25583	1.8
73.84168	1.2
79.05479	2.2
81.07066	1.4
83.08613	3.2
85.10184	90.9
87.04466	7.5
89.06032	66.7
90.07638	1.1
91.05497	1.9
93.07024	1.9
94.66502	1.0
95.08636	1.1
97.10188	1.5
99.11729	11.6
101.09650	2.7
103.07589	2.0
105.07024	3.5
107.08566	2.6
114.69504	1.2
117.09131	6.8
119.08583	3.3
121.10162	1.5
129.07030	1.5
131.07039	2.7
131.08612	1.7
133.08611	48.9
133.10124	1.9
141.16379	11.2
143.08568	1.6
145.10049	2.6
147.08083	1.3
147.11705	2.0
155.08482	1.4
157.10193	1.7
159.11649	1.6
165.08987	1.1
171.11697	1.9
173.13300	1.9
175.09552	1.3
177.11220	19.4
183.11659	1.4
191.12794	1.5
199.20558	21.6
221.13756	4.3
221.15605	2.5
222.15744	1.2
227.14304	1.5
239.14934	2.4
257.24719	9.3
283.17416	2.1
309.19125	1.7
327.20108	19.4
367.23212	1.8
385.24316	3.0
425.27197	1.2
468.52478	1.2
507.35165	1.1
600.47614	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30536	2.9
53.03954	5.2
55.05510	17.0
57.07067	15.4
58.83982	2.6
59.05002	7.4
67.05508	21.0
69.03436	17.5
69.07061	12.7
69.28898	15.6
69.29326	10.3
79.05498	27.5
81.07063	32.7
83.04987	15.1
83.08618	9.1
85.06541	11.4
87.04495	4.2
89.06018	4.6
91.05482	54.1
93.07047	70.9
95.04971	20.3
95.08595	33.4
97.06532	8.4
103.05484	4.5
105.04539	2.9
105.07032	99.9
107.04939	5.3
107.08588	44.1
109.06494	16.8
109.10155	21.8
111.08141	5.5
115.05465	6.6
117.07018	19.6
119.04897	4.0
119.08584	74.5
121.06485	18.2
121.10149	44.5
122.07248	5.3
123.08083	27.9
123.11756	4.6
125.09634	7.7
128.06226	13.1
129.07028	23.2
130.07814	7.2
131.08566	39.6
132.09349	3.5
133.06487	10.8
133.08629	4.3
133.10123	43.1
135.08022	27.2
135.11725	10.2
137.05963	4.2
137.09612	17.8
139.07544	5.3
141.07010	11.0
142.07794	29.1
143.08563	51.7
144.09312	13.0
145.10120	62.7
147.08046	36.0
147.11650	14.2
149.09641	16.9
151.07520	20.8
154.07797	4.8
155.08537	16.8
156.09372	26.4
157.10135	76.6
158.10909	12.5
159.08032	16.6
159.11699	39.5
160.08783	6.2
161.09598	29.7
161.13277	9.2
163.11203	14.0
165.09119	55.5
166.07793	3.3
167.08598	10.1
167.10680	10.8
168.09279	4.1
169.10120	27.2
170.10922	11.1
170.12431	3.2
171.08095	7.2
171.11659	35.4
172.12505	8.6
173.09569	17.0
173.13252	15.8
174.10391	3.1
175.11205	29.5
175.14778	4.9
177.09123	4.8
177.12686	5.2
179.08607	10.1
179.10666	7.1
180.09322	5.8
180.11446	4.9
181.10152	11.0
181.12224	11.8
182.10822	7.3
183.08180	3.4
183.11694	24.2
184.12427	6.7
185.09642	8.8
185.13226	24.7
187.11189	7.0
187.14743	3.7
188.12036	4.5
189.12752	14.8
190.13538	12.0
191.10692	4.9
192.09282	3.7
193.10371	14.6
193.11996	15.3
194.10889	8.4
195.11705	26.5
196.12457	9.6
197.09607	7.4
197.13228	21.9
199.11250	12.6
199.14813	5.8
201.12744	9.5
203.14323	36.5
205.10246	3.7
205.12128	3.4
206.10912	5.8
207.11696	17.1
207.13829	16.1
208.12492	8.6
208.14595	8.6
209.13277	21.6
209.15041	4.2
210.13962	4.9
211.11237	7.4
211.14900	15.6
213.12711	12.8
213.16374	3.8
215.10776	3.6
215.14360	7.4
219.11925	5.3
219.13799	11.0
221.13269	12.9
221.15338	100.0
222.13867	3.8
223.11246	4.5
223.14828	12.2
225.12759	9.9
225.16315	6.5
227.14326	5.1
229.15614	4.8
230.13092	3.6
232.12146	3.7
233.13268	7.6
233.15421	21.8
234.13939	5.9
234.16101	14.1
235.14867	12.9
237.12776	7.0
237.14865	32.8
239.14391	5.5
245.13159	4.8
247.14879	3.9
247.16982	11.4
248.14105	12.7
249.16379	11.1
250.15524	3.6
251.17979	3.6
253.15860	7.3
255.17467	24.6
257.37427	3.2
259.14722	5.2
259.17160	6.7
261.16443	10.0
263.17896	3.5
267.17380	4.3
269.19211	4.8
270.19690	4.6
271.16910	5.4
273.16299	3.7
274.19321	25.8
275.17780	3.9
277.15833	3.3
279.17535	7.1
281.19199	4.5
285.18555	7.6
286.19376	15.5
287.20145	13.6
291.17365	3.3
294.19907	7.2
295.20514	4.3
297.18481	6.2
299.20151	18.1
303.19540	59.9
312.21002	5.7
313.21777	25.4
319.20572	6.4
325.21570	17.3
337.21609	12.2
352.23975	92.1
365.24734	29.4
377.24652	6.8
383.25864	6.8
391.26300	3.7
420.30017	5.7
431.58597	3.0
463.31393	3.7
487.31750	4.0
502.34482	12.0
503.35193	10.9
505.33063	10.1
507.34573	8.1
520.35596	57.5
582.40350	7.2
585.39081	5.6
600.41333	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.05522	6.9
57.07077	13.7
59.05011	6.0
62.46039	1.9
64.96498	2.1
67.05496	13.8
69.03449	11.0
69.07084	7.4
69.69469	2.2
71.08638	2.7
79.05495	14.5
81.07066	22.6
83.04998	6.0
83.08657	5.6
85.06563	5.6
89.06055	8.3
91.05478	31.1
93.07047	31.9
95.04961	11.1
95.08602	24.7
95.09069	2.1
97.06532	9.4
103.05487	2.7
105.07032	48.4
105.07690	3.1
107.08594	27.5
109.06509	10.3
109.10136	11.3
111.08127	3.8
115.05443	3.6
117.07023	15.4
119.08590	58.0
120.09450	3.3
121.06522	7.6
121.10169	19.4
123.08078	15.9
123.11698	2.4
125.05991	14.0
128.06239	5.1
129.07016	10.1
130.07770	4.0
131.08546	22.9
132.09358	4.2
133.06538	4.4
133.08672	4.2
133.10139	29.6
135.08064	16.9
135.11742	9.6
137.06038	2.8
137.09634	15.7
139.07622	2.8
139.11263	3.2
141.07005	4.3
142.07825	10.7
143.08559	27.2
144.09331	9.5
145.06512	4.7
145.10141	43.3
147.08052	26.7
147.11751	8.2
149.09625	14.9
150.10394	2.7
151.07520	12.0
154.07922	2.8
155.08583	8.6
156.09361	11.7
157.10136	38.1
158.07361	2.6
158.10939	5.1
159.08084	9.9
159.11702	26.5
160.08875	7.8
161.09599	10.7
161.13345	7.7
163.11165	17.8
165.09116	47.5
166.09625	2.4
167.08617	6.7
168.09346	3.7
169.10144	16.4
170.10931	5.7
171.08089	4.0
171.11711	16.9
172.12479	4.7
173.09671	8.6
173.13261	11.0
175.11189	23.9
175.14870	2.7
177.09099	4.5
177.11366	2.6
177.12804	4.0
178.09865	3.1
179.08655	4.4
179.10579	3.2
180.11494	5.5
181.10168	9.0
181.12230	18.3
182.10995	4.9
183.11707	13.7
184.12448	3.8
185.09702	4.1
185.13193	10.3
186.14059	2.5
187.11247	6.3
187.14894	4.5
188.12051	2.1
189.12663	10.2
190.13567	9.6
191.10768	7.0
191.14378	2.3
193.10237	6.7
193.12320	15.5
194.10970	4.5
195.11739	13.8
195.13791	2.8
196.12544	7.0
197.09608	4.0
197.11681	2.1
197.13203	11.9
199.11200	8.2
199.14911	4.5
201.12823	9.2
203.14326	25.8
207.11751	7.1
207.13881	12.1
208.12646	4.6
208.14621	8.2
209.13345	8.3
209.15318	3.6
211.11166	2.7
211.14906	6.9
212.15669	2.9
213.12778	6.8
215.14371	4.8
216.15120	3.4
219.11864	2.3
219.13930	7.2
221.13382	5.7
221.15370	100.0
222.15758	6.7
223.14896	5.7
225.12717	4.6
225.16411	4.0
227.14389	3.3
227.18054	2.5
229.15889	2.8
231.13899	2.4
233.13278	3.5
233.15489	4.7
234.16154	25.4
235.14893	3.8
237.12764	5.5
241.16183	2.3
243.13863	3.4
245.15474	3.0
247.14671	3.1
247.16945	30.1
248.17706	2.9
249.16434	4.6
259.17111	4.4
261.18765	4.2
265.16119	3.2
271.17136	2.9
273.18665	4.3
274.19238	13.0
275.18063	4.0
281.19049	3.5
283.26242	4.3
285.18710	2.7
286.19397	8.8
287.20081	13.6
297.18536	4.6
298.19308	3.9
299.20053	13.9
300.20816	4.1
307.20685	2.6
310.19431	3.0
311.20108	9.2
312.20908	9.9
313.21713	7.8
319.20514	3.1
325.21637	14.0
327.23318	3.6
337.21738	5.4
339.23383	4.7
340.23926	15.2
351.23108	3.0
352.23984	30.7
365.24741	6.9
366.25436	3.2
379.26410	4.6
387.25494	4.5
390.25519	3.3
391.26474	3.5
392.26962	4.3
400.25848	3.0
413.27014	4.4
419.29578	9.7
420.30368	2.7
425.26843	6.3
425.68848	2.3
426.28006	3.0
427.28384	13.3
440.29251	44.4
442.30927	5.6
508.35468	9.7
520.35480	37.1
521.36432	3.0
585.38965	5.0
600.41589	33.1
600.55957	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33863	2.9
53.03930	6.3
54.51975	2.8
55.01857	4.2
55.05514	17.7
57.07072	20.4
59.04988	4.9
59.94818	2.8
65.03918	5.6
67.05183	3.5
67.05507	30.5
69.03438	18.0
69.03767	4.3
69.07070	14.9
69.31567	3.0
69.50691	22.8
71.04983	3.1
75.53148	3.0
77.03971	3.6
79.05491	39.0
81.07066	38.4
83.04988	21.1
83.08624	4.7
85.06543	11.3
89.06019	4.1
91.05482	62.8
93.06492	4.5
93.07043	63.3
95.04977	24.2
95.08611	39.7
97.06519	12.3
98.54893	3.5
105.07035	100.0
107.08591	56.2
108.05742	3.4
109.05858	4.8
109.06503	27.3
109.10181	17.0
109.77330	3.0
111.08096	5.8
114.41144	2.9
115.05446	11.8
117.07011	22.9
119.04940	3.5
119.08593	80.1
120.09377	4.6
121.06500	18.4
121.10158	49.8
122.07220	3.9
123.08076	32.2
123.11684	6.8
125.06000	13.0
125.09611	7.4
128.06230	15.3
129.07004	32.7
130.07809	11.0
131.08575	43.8
132.09337	3.8
133.06502	12.3
133.10127	51.4
135.08058	27.6
135.11703	16.5
137.09622	19.8
139.07526	8.2
141.06992	12.3
142.07811	31.9
143.08566	60.4
144.09390	17.6
145.06485	7.6
145.10124	67.0
147.08049	40.2
147.11656	17.4
149.09647	19.8
151.07530	23.4
153.06944	5.7
154.07790	4.8
155.08551	23.8
156.09348	22.3
157.10136	82.1
158.10870	8.9
159.08031	15.8
159.11708	40.9
160.08841	6.0
161.09599	24.0
161.13206	5.6
163.11226	22.0
165.06964	9.1
165.09109	66.7
166.07735	4.5
167.08549	14.0
167.10687	12.8
168.09361	8.7
169.10132	30.4
170.10886	11.2
171.08035	4.2
171.11664	41.8
172.12502	9.9
173.09618	13.4
173.13225	20.1
175.11177	26.7
175.14857	5.9
176.11977	6.5
177.09084	5.2
177.12753	6.4
179.08568	12.0
179.10686	4.3
180.09381	4.8
180.11534	3.6
181.08769	4.3
181.10078	18.7
181.12231	19.0
182.10912	7.2
183.11719	27.9
184.12463	6.2
185.09563	5.5
185.13171	27.6
186.14012	4.0
187.11215	14.1
187.14828	6.5
189.12755	20.7
190.13458	12.6
191.14316	6.5
192.09332	6.0
193.10136	21.7
193.12256	10.0
194.10950	9.3
194.12949	6.0
195.11696	32.1
195.13699	7.8
196.12541	7.0
197.09598	6.9
197.11656	6.7
197.13269	29.0
199.11220	11.8
199.14882	6.6
200.11885	3.5
201.12772	9.3
203.14310	25.4
206.10921	8.3
207.11708	21.6
207.13811	29.6
208.12518	9.4
208.14424	5.4
209.09576	5.9
209.13246	18.5
209.15189	5.8
210.14093	3.9
211.11188	8.9
211.14880	16.9
213.12814	15.7
215.10703	5.3
215.14316	5.9
217.10139	3.2
217.15898	4.8
218.10876	3.1
218.16649	3.9
219.11786	6.6
219.13705	4.9
220.12524	5.5
221.13278	14.2
221.15332	93.6
223.11192	7.9
223.14848	12.2
225.12729	8.3
225.16422	9.9
227.14354	6.6
229.12180	4.3
230.12991	4.7
231.11765	4.5
233.13229	9.3
233.15405	22.5
234.14040	6.6
234.16196	17.2
235.14771	9.7
235.16902	7.6
236.15483	3.7
237.12701	5.3
237.14699	37.4
240.14775	3.7
241.15907	3.9
247.14844	7.4
247.17017	15.1
248.14110	7.6
249.16376	9.5
250.15662	5.1
251.14247	7.2
253.15910	8.5
255.17433	20.0
259.14709	4.7
259.17181	3.5
261.16272	9.6
263.18176	7.4
265.15872	5.3
267.17453	3.8
269.19000	3.9
270.19962	4.5
271.16980	7.5
273.18781	4.7
274.19333	13.5
279.17435	8.9
281.18951	6.9
285.18549	7.7
286.19348	18.5
287.20016	7.3
294.19794	4.3
295.20532	4.5
297.18512	8.2
299.20151	14.9
303.19571	46.6
307.20496	4.7
311.19922	7.8
312.20834	7.0
313.21695	22.8
319.20636	3.4
324.20749	3.1
325.21661	38.1
337.21643	9.7
352.23962	74.9
365.24762	51.8
377.24841	4.0
383.25735	4.6
487.32172	5.1
502.34247	8.4
505.32938	9.5
507.34573	40.9
508.34924	7.0
520.35596	36.2
582.40717	4.7
585.39447	4.6
600.41516	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.05515	13.6
57.07066	9.0
59.04991	4.2
67.05500	21.9
69.03431	15.2
69.07069	15.4
69.30366	23.2
71.04972	3.5
77.03915	3.3
79.05496	24.6
81.07056	32.1
83.04980	13.0
83.08614	9.8
85.06523	6.5
91.05481	48.9
93.07041	52.7
95.04996	14.9
95.08609	35.7
97.06522	5.5
98.21499	5.4
103.05499	2.9
105.06326	4.5
105.07031	74.4
107.08601	47.7
109.06512	18.0
109.10163	17.9
111.08096	4.2
115.05474	7.8
116.06188	2.7
117.07036	18.6
119.08579	62.8
120.09309	4.0
121.06503	16.8
121.10138	38.1
123.08060	27.2
125.05993	9.0
125.09602	5.9
128.05371	2.5
128.06244	11.5
129.07008	23.1
130.07776	7.3
131.08574	38.9
132.09334	3.2
133.06528	7.1
133.10132	38.0
135.08058	28.2
135.11728	12.4
137.05959	2.9
137.09598	15.1
139.07516	5.3
141.06978	10.8
142.07780	23.1
143.08569	46.7
144.09335	12.2
145.06482	6.4
145.10126	57.4
147.08058	34.8
147.11653	15.5
148.08858	4.0
149.09637	15.9
151.07523	15.7
155.08534	20.6
156.09328	15.8
157.10135	65.9
158.10907	10.2
159.08064	20.5
159.11685	31.5
160.08707	3.4
161.09608	17.0
161.13261	6.9
163.11215	14.7
165.06958	3.9
165.09106	44.7
167.08539	6.2
167.10692	11.1
168.09393	5.5
169.10118	23.5
170.10872	10.8
171.11702	32.3
172.08760	2.7
172.12430	7.6
173.09630	10.2
173.13298	16.7
174.10361	4.2
175.11198	23.4
175.14723	3.0
176.35184	2.7
178.07838	2.8
179.08368	4.1
179.10768	4.6
180.09369	6.5
180.11552	3.0
181.10132	11.7
181.12250	12.9
182.10854	7.6
183.07982	3.6
183.11708	21.3
185.09579	6.0
185.13248	16.4
186.13969	3.7
187.11206	9.0
187.14836	4.5
188.12030	2.7
189.12709	10.2
190.13516	11.2
191.10622	4.5
191.14307	7.4
192.09505	2.8
193.10158	9.4
193.12221	8.9
194.10858	6.1
195.11714	21.4
196.12413	5.3
197.09622	8.3
197.11667	6.4
197.13252	18.9
198.13943	3.4
199.11162	8.8
199.14832	8.9
201.12782	8.2
203.14325	26.2
205.12119	5.2
206.10880	3.6
207.11716	16.4
207.13846	13.4
208.12405	7.9
208.14584	10.1
209.13197	17.9
210.14079	5.0
211.11214	6.9
211.14799	8.5
213.12744	11.1
213.16380	3.0
215.10680	5.5
215.14413	3.0
217.12227	2.8
217.15779	3.6
218.16663	3.1
219.11774	6.4
219.13815	6.8
220.12402	4.6
221.13258	10.8
221.15332	88.1
222.13907	3.5
223.11359	4.6
223.14838	8.4
225.12735	5.4
225.16409	5.5
227.14354	5.3
229.16055	2.9
231.11716	3.3
232.12408	4.5
233.13411	4.4
233.15392	20.7
234.14159	3.4
234.16020	14.7
235.14828	11.4
235.16954	3.4
237.12680	7.6
237.14687	34.0
239.14442	3.8
246.13994	4.0
247.14825	5.2
247.17104	7.6
248.14114	9.5
249.12752	4.5
249.16422	9.1
251.14204	3.9
251.18121	4.9
253.15799	6.4
255.17473	23.5
259.17032	3.5
261.16382	6.4
263.18051	4.2
267.17303	4.4
268.18307	3.2
269.19000	6.0
270.13898	2.9
271.16995	6.3
273.18747	3.4
274.19357	14.9
275.17902	3.8
279.17578	6.1
281.18976	6.4
285.18677	5.0
286.19293	14.2
287.20154	8.1
291.17316	3.2
294.19922	5.9
295.20468	4.3
297.18661	3.8
298.19263	3.5
299.20087	14.6
303.19608	56.4
309.18649	3.4
311.20160	3.7
313.21585	15.8
319.20749	3.6
325.21640	14.1
337.21634	11.1
352.23962	100.0
353.24463	4.5
365.24716	19.6
377.24820	8.8
383.25677	4.9
419.29276	3.7
420.30325	5.2
441.36908	3.3
487.32104	6.4
502.34390	6.0
503.35071	5.9
505.33078	8.8
507.34488	12.1
508.34885	8.1
514.16132	2.7
520.35535	50.9
538.04657	2.7
582.40240	3.9
585.38947	5.1
600.41650	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
54.71608	1.1
55.01866	1.6
55.05505	4.8
57.07078	10.2
59.04994	4.0
65.03924	1.7
67.05505	7.8
69.03439	6.0
69.07058	4.3
69.31075	10.0
77.03914	1.3
79.05502	11.0
81.03426	1.2
81.07059	13.7
83.05001	6.1
83.08592	1.7
85.06537	4.8
89.06011	2.0
91.05481	25.3
92.06303	1.2
93.06489	1.5
93.07051	23.4
95.04961	8.1
95.05466	1.2
95.08611	17.2
96.05729	1.5
97.06528	4.7
103.05506	2.6
105.07030	41.9
106.07824	2.0
107.04925	1.8
107.08596	19.1
109.06508	10.7
109.10162	5.5
115.05459	3.1
116.06267	1.5
117.07012	11.0
119.08579	48.1
120.09364	3.2
121.06512	6.1
121.10146	16.3
122.07288	2.2
123.08066	14.4
123.11710	1.1
125.06016	10.7
128.06224	3.7
129.07002	7.7
130.07777	3.2
131.08572	17.6
132.09349	2.5
133.06487	3.2
133.10141	15.5
135.08057	17.4
135.11731	5.6
135.98650	1.1
137.06013	2.0
137.09634	11.4
139.07520	2.6
141.06992	3.3
142.07771	8.9
143.08565	19.3
144.09340	7.2
145.06476	2.8
145.10136	30.8
146.10815	1.1
147.08043	28.5
147.11679	4.8
148.08769	2.4
149.09608	12.8
151.07579	10.3
155.08571	9.7
156.09346	6.5
157.10126	27.3
158.10916	4.5
159.08058	6.0
159.11710	17.0
160.08786	2.5
160.12473	1.5
161.09604	9.7
161.13249	5.1
162.10466	1.4
163.11203	16.5
165.06995	2.5
165.09122	42.3
166.09477	1.7
167.08577	2.8
168.09358	1.4
169.10141	14.9
170.10873	3.7
171.11720	13.7
172.08846	1.3
172.12433	3.5
173.09627	10.2
173.13239	5.9
174.10374	2.1
175.11189	19.8
175.14891	2.1
177.09122	3.6
177.12617	1.8
178.09912	3.4
179.08525	2.6
179.10699	1.5
180.09370	3.1
180.11481	3.6
181.10133	5.8
181.12245	17.3
182.10873	4.2
183.11687	14.3
184.12416	3.2
185.09647	3.4
185.13255	8.9
187.11198	6.2
187.14777	2.8
188.11906	2.3
189.12750	5.8
190.13489	8.0
191.10680	5.3
192.09305	1.4
193.10219	3.9
193.12270	13.1
194.10910	3.5
195.11705	7.5
195.13675	1.4
196.08932	1.0
196.12509	3.9
197.09607	1.5
197.13272	9.8
198.13847	1.9
199.11189	7.4
199.14769	2.9
201.12741	6.9
203.14325	17.4
204.14670	1.6
205.12157	1.6
206.10869	2.0
207.11702	4.1
207.13802	8.4
208.12585	2.5
208.14606	8.7
209.13275	7.4
210.13992	2.3
211.11154	3.5
211.14836	5.8
212.15546	1.9
213.12749	4.5
213.16367	2.6
215.14268	3.0
216.15030	1.8
219.11752	2.0
219.13658	7.0
221.13383	4.9
221.15361	100.0
222.15712	5.1
223.11154	2.2
223.14833	2.8
224.15417	1.3
225.12672	3.6
225.16393	3.2
226.13420	1.4
227.14305	2.7
229.12256	2.2
229.15894	2.7
231.13855	1.8
232.12447	1.8
233.13220	3.6
233.15369	3.3
234.16177	22.1
235.14822	2.8
237.12721	3.9
237.16417	1.8
239.14244	2.1
239.18060	1.7
241.15823	3.0
243.13887	1.7
245.13177	1.5
245.15428	2.6
247.14819	1.4
247.16948	29.9
248.17624	2.0
251.14375	3.0
253.15834	2.4
255.17476	1.4
257.15433	1.2
259.14569	1.6
259.17020	4.0
260.17783	1.9
261.16171	2.1
261.18628	2.5
263.14465	1.4
263.17953	1.8
265.15790	2.0
267.17334	1.4
269.15332	1.2
271.16916	3.4
273.18643	2.6
274.19296	11.0
279.17535	2.7
281.19061	3.4
283.16919	1.6
285.18484	3.6
286.19217	3.6
287.20090	12.2
295.20535	1.6
297.18448	2.2
298.19308	1.5
299.20013	14.7
300.20767	3.2
307.20773	2.5
309.18567	1.7
311.20065	4.3
312.20953	7.5
313.21649	6.6
319.20526	1.5
325.21576	10.7
326.22006	2.0
327.23157	2.3
337.21594	3.7
339.23184	7.4
340.23950	16.6
352.19443	1.6
352.23953	28.0
353.24466	2.4
363.23135	1.8
365.24728	6.5
366.25372	2.9
377.24963	1.6
378.25699	1.3
379.26425	5.7
385.24124	1.8
387.25229	6.1
391.26331	3.6
392.27002	3.5
400.26056	2.1
402.27686	1.8
411.25323	2.1
413.26886	4.0
419.29486	10.6
420.30301	4.1
425.26740	6.4
426.27621	4.5
427.28479	14.2
440.29221	42.7
442.30667	4.3
454.30734	2.2
493.33228	1.7
494.34158	1.9
507.34488	3.0
508.35544	6.2
520.35510	24.7
521.36267	3.2
567.38098	1.7
582.40082	1.8
585.39319	3.4
600.41620	31.1
601.42328	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.2
57.07085	17.1
67.05502	9.5
69.03424	9.7
69.07074	8.1
71.08629	3.3
79.05505	15.4
81.07061	23.6
82.66536	3.7
83.04987	6.8
84.90201	3.4
85.06559	4.7
87.29070	2.9
87.32450	3.4
89.06020	6.7
91.05504	27.3
91.06042	4.4
93.07042	27.9
95.04980	5.7
95.08597	21.3
97.06540	6.9
99.95982	3.4
105.07030	43.1
107.08598	22.3
109.06538	7.9
109.10162	7.4
111.08081	5.0
117.07013	9.6
119.08586	64.0
119.09373	5.8
121.06499	9.0
121.10154	21.5
123.08066	16.2
125.05982	7.8
128.06209	3.3
128.71378	3.3
129.07010	11.7
130.07834	4.4
131.08583	23.9
133.06465	3.5
133.10147	22.6
135.08047	17.1
135.11670	5.8
137.09637	14.3
142.07785	9.5
143.08560	21.1
144.09300	7.1
145.10138	39.0
147.08063	29.1
147.11716	7.6
149.09636	14.6
151.07562	8.1
155.08592	9.3
156.09372	9.9
157.10136	30.7
158.10892	3.6
159.08101	7.8
159.11713	19.6
160.08813	5.9
161.09637	9.6
161.13229	7.8
163.11191	18.4
165.09119	46.9
168.09384	4.5
169.10155	13.2
170.10947	4.6
171.08176	4.0
171.11713	19.4
173.09654	5.9
173.13306	11.0
175.11212	19.6
177.09053	6.9
179.08644	5.0
180.09265	3.1
180.11540	4.2
181.10085	6.5
181.12285	19.6
182.10831	4.6
183.11717	13.7
185.09610	7.1
185.13281	11.4
187.11246	8.0
189.12804	10.9
190.13574	11.8
191.10703	7.4
193.10547	4.1
193.12238	16.1
194.10919	4.7
195.11734	10.9
197.13257	10.2
199.11162	7.9
199.14813	4.4
201.12801	5.1
203.14337	22.1
207.11906	4.4
207.13837	11.3
208.14635	8.8
209.13248	10.3
211.14818	7.5
219.13837	8.9
221.13490	4.3
221.15376	100.0
223.14879	5.1
225.12717	4.9
225.16414	4.5
233.13213	3.9
234.16165	16.8
235.14818	5.0
237.12828	7.0
240.18919	4.5
245.13065	3.2
247.16968	27.8
259.17023	4.7
271.17038	6.0
274.19327	15.5
287.20135	8.5
299.20142	15.7
307.20328	4.1
311.20068	5.0
312.20853	11.2
313.21698	8.0
325.21695	15.1
337.21524	6.2
340.23953	13.5
352.24066	37.3
366.25079	3.6
377.24835	3.5
379.26196	4.2
391.26212	8.4
392.26608	4.5
413.26984	4.8
419.29565	11.7
420.30441	5.1
425.26880	7.1
426.27805	5.3
427.28384	13.2
440.29272	41.5
507.34222	3.7
520.35449	40.9
600.41699	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38781	2.0
55.05506	5.8
57.07076	11.8
57.42940	2.5
67.05511	13.0
69.03422	8.5
69.07054	7.0
69.14251	25.3
71.08611	2.8
74.94631	2.3
77.03930	2.5
79.05503	13.5
81.07044	18.6
83.04980	6.5
83.08616	6.5
85.06533	3.8
89.06003	2.9
91.05472	24.5
93.07052	24.5
95.04952	11.7
95.08593	18.5
97.06510	6.5
103.73779	2.1
105.07032	31.7
107.08591	22.7
109.06501	9.8
109.10160	6.5
115.05442	4.1
117.07008	7.0
119.07806	4.0
119.08582	43.2
121.06484	6.3
121.10143	16.3
123.08118	13.8
125.05997	5.6
128.06206	4.5
129.06996	10.0
130.07845	2.9
131.08592	16.7
132.09293	2.9
133.06473	2.5
133.08633	2.6
133.10149	19.3
135.08049	16.3
135.11671	5.7
137.09599	16.4
139.07590	2.7
141.07028	2.8
142.07774	9.6
143.08562	15.7
144.09343	6.8
145.10132	31.2
147.08057	26.0
147.11671	5.7
149.09605	10.1
151.07532	10.7
151.11156	2.8
155.08563	11.1
156.09343	4.3
157.10146	30.2
158.10855	3.7
159.08086	5.2
159.11685	18.1
160.08775	2.6
161.09589	6.9
161.13214	5.5
163.11203	15.4
165.09125	46.2
166.09471	4.7
167.08597	3.8
168.09416	2.8
169.10101	9.9
170.10760	5.4
171.11690	14.9
172.12323	2.6
173.09634	7.9
173.13245	6.6
175.11188	22.1
175.14766	3.9
177.09058	4.5
180.11374	2.6
181.10147	8.1
181.12213	16.2
182.10942	3.0
183.11642	15.7
184.12312	2.7
185.09651	2.8
185.13228	8.8
187.11162	7.3
187.14738	4.4
189.12730	8.1
189.22853	2.8
190.13524	8.1
191.10648	6.1
193.10187	4.1
193.12225	12.4
194.11008	4.1
195.11636	8.2
196.12477	5.0
197.13306	8.9
199.11157	6.5
199.14890	3.1
201.12624	3.2
203.14311	17.4
207.11775	5.0
207.13779	8.5
208.12489	3.1
208.14589	6.7
209.13213	6.8
210.13786	3.2
211.14766	5.8
212.12035	2.4
213.12723	5.6
217.12216	3.2
218.10846	2.4
219.13806	6.8
221.13416	5.0
221.15366	100.0
222.15724	11.1
223.14844	3.0
225.12682	3.5
229.15907	4.7
231.13762	3.1
233.15324	4.0
234.16127	17.3
235.14781	3.3
237.16420	4.3
241.15823	3.3
247.16937	32.5
249.26871	2.4
257.15503	3.5
259.16919	4.9
274.19257	13.5
281.19128	3.6
283.26312	4.1
286.19229	4.2
287.20255	11.4
289.41849	3.0
297.18530	2.9
298.19452	2.9
299.20081	16.5
300.20779	3.4
307.20410	3.3
311.20157	3.7
312.20743	8.7
313.21725	4.6
325.21609	10.2
327.23108	4.9
337.21558	4.6
339.23230	4.2
340.24097	14.7
351.23187	3.5
352.23895	24.8
365.24625	5.6
366.25418	4.1
377.24789	3.9
379.26266	3.2
387.25259	5.6
391.26413	4.1
392.26541	5.5
413.26437	5.7
419.29492	9.6
420.30341	3.1
425.27026	5.6
426.27499	3.4
427.28381	14.5
440.29208	43.1
442.30222	4.4
507.34720	4.2
508.35489	6.8
520.35559	27.7
521.36194	4.6
585.39441	3.6
600.41663	41.3
600.55396	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.2
55.05509	14.2
57.07068	11.5
60.16495	3.1
62.14186	3.5
64.58633	2.9
65.03922	4.4
67.05495	21.4
69.03433	12.4
69.07058	10.2
69.63058	15.8
70.06578	7.9
71.04986	3.7
71.84370	3.1
79.05495	24.1
81.07047	25.4
83.04984	8.6
83.08614	5.1
84.20010	3.3
84.70544	3.0
85.06509	5.1
91.05474	40.5
93.07040	54.8
95.04971	12.9
95.08611	24.8
97.06522	9.7
103.05469	3.7
105.07033	74.8
106.07889	3.7
107.08590	40.6
109.06498	15.7
109.10162	13.2
111.08083	7.0
115.05476	4.9
116.07097	12.0
117.07019	19.0
119.04903	3.6
119.08588	65.3
121.06502	8.9
121.10148	39.7
123.08049	19.6
123.11681	4.9
125.06030	3.5
125.09604	8.1
128.06248	5.1
129.06969	17.8
130.07841	7.5
131.08582	32.5
133.06482	6.5
133.10124	33.1
135.08057	20.0
135.11673	10.6
137.05954	5.3
137.09612	10.3
141.06996	5.5
142.07768	27.1
143.08548	40.7
144.09332	13.1
145.10132	47.2
147.08043	30.1
147.11694	9.6
149.09610	15.3
151.07584	16.5
155.08519	22.7
156.09282	16.7
157.10127	62.0
158.10944	7.3
159.08067	16.2
159.11685	32.0
160.08775	4.5
161.09610	18.2
161.13243	4.4
163.11194	15.3
165.06975	5.4
165.09125	52.8
166.07709	4.7
167.08563	7.5
167.10701	11.9
168.09354	4.7
169.10135	23.9
170.10855	8.9
171.08113	3.3
171.11678	33.1
172.12477	7.8
173.09630	13.2
173.13281	15.8
175.11163	19.8
175.14758	4.6
177.12706	4.1
179.08597	10.1
179.10548	3.7
181.10156	14.1
181.12195	10.2
182.10869	6.5
183.11705	17.1
185.09608	6.9
185.13283	18.7
186.10327	3.9
187.11198	7.3
187.14764	5.1
189.12726	14.3
190.13560	11.4
191.14240	4.1
193.10132	9.3
193.12263	10.5
194.10875	10.4
194.68835	3.2
195.11708	21.6
196.12331	5.1
197.09654	6.2
197.13249	18.7
199.11093	8.0
199.14844	9.6
200.11998	4.4
201.12715	7.7
203.14287	26.5
206.10870	8.5
207.11650	10.8
207.13791	11.0
208.12436	9.1
208.14484	6.1
209.13251	17.1
209.15063	4.1
211.11150	5.8
211.14790	12.6
213.12697	12.1
217.15970	3.8
219.11717	9.0
219.13846	7.7
220.12440	7.1
221.13272	8.7
221.15335	78.6
222.13960	4.7
223.14824	9.7
225.12849	5.8
227.14340	6.2
233.13327	6.2
233.15398	13.6
234.16147	13.3
235.14938	6.7
235.16986	5.5
236.15585	3.5
237.12651	6.7
237.14635	27.8
241.15938	4.4
247.16943	4.4
248.14096	12.1
249.16342	7.7
253.15851	6.5
255.17430	20.8
259.14627	5.3
261.16290	7.7
269.18884	5.4
269.42191	3.6
270.19809	5.4
271.17044	6.5
274.19308	14.7
275.17917	5.4
279.17462	7.6
281.18973	7.2
285.80203	3.3
286.19366	11.6
287.20081	7.9
289.19409	4.1
299.20071	14.7
303.19547	50.7
310.18906	3.6
311.20108	5.4
312.20837	7.5
313.21594	17.3
322.22736	4.6
325.21674	18.4
337.21536	9.7
352.23975	100.0
365.24780	23.9
377.24500	6.1
383.25677	5.0
487.31998	8.0
489.33109	3.9
502.34039	10.6
503.35004	5.9
505.33047	7.0
507.34467	13.6
508.35107	5.3
520.35486	38.5
585.39478	6.4
600.41583	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.05499	15.5
57.07077	17.4
59.04999	5.2
65.03956	3.4
67.05508	25.8
69.03425	15.4
69.07057	17.3
69.18813	3.8
78.04762	4.2
79.05488	32.3
81.07050	44.2
83.04979	14.6
83.08664	3.5
85.06519	8.8
91.05481	52.0
91.68965	4.0
93.07040	56.4
95.04968	17.0
95.08607	36.0
97.06566	7.8
98.20721	7.8
103.05456	5.7
105.04512	6.2
105.07034	89.7
107.08603	50.0
109.06517	20.0
109.10171	17.4
111.08070	7.0
117.07027	22.7
119.08580	71.8
121.06493	18.8
121.10157	43.9
123.08089	31.3
125.05994	8.9
125.09598	6.5
128.06212	16.1
129.07021	20.5
130.07782	7.2
131.08563	34.2
132.09393	5.6
133.06482	12.8
133.10136	40.0
135.08040	24.0
135.11681	13.5
136.06738	3.9
137.09604	16.4
141.06979	11.4
142.07787	33.8
143.08563	46.3
144.09320	12.4
145.06439	4.5
145.10101	57.9
147.08049	38.3
147.11665	15.7
149.09619	18.5
151.07520	20.1
151.11154	4.0
153.07002	3.5
155.05934	3.6
155.08574	18.5
156.09357	21.4
157.10126	71.8
158.07190	4.5
158.10938	14.0
159.08066	21.4
159.11702	29.9
160.08820	7.7
161.09639	27.5
161.13298	11.4
163.11169	17.6
165.07018	10.7
165.09103	43.1
167.08571	10.6
167.10704	12.8
168.09358	8.9
169.10129	35.0
170.10912	9.2
171.11707	38.5
172.12447	11.4
173.09660	10.1
173.13246	16.1
174.10243	5.7
175.11179	24.4
177.12730	5.0
179.08525	11.9
179.10690	3.6
180.09283	5.6
180.11453	4.8
181.10112	23.8
181.12163	10.6
182.10860	11.0
183.11713	23.4
184.12363	5.6
185.09665	8.2
185.13295	22.2
186.13937	4.3
187.11201	11.3
187.14781	5.4
189.12747	13.2
190.13506	13.8
193.10133	13.2
193.12163	7.9
194.10834	7.7
195.11685	24.0
196.12447	7.0
197.09564	8.2
197.13321	17.7
199.11214	8.3
201.12694	8.8
203.14313	28.0
205.10089	6.1
206.10898	6.4
207.11681	15.9
207.13817	17.9
208.12556	8.3
208.14510	8.6
209.13336	19.0
210.13884	5.1
211.11183	5.7
211.14795	11.0
213.12775	10.8
215.14380	4.2
217.10182	4.6
219.11786	7.1
219.13728	4.7
220.12430	4.3
221.13251	14.2
221.15340	96.9
222.15887	7.0
223.11252	4.2
223.14809	14.3
225.12672	9.8
227.14349	4.2
229.15909	5.0
233.13258	9.8
233.15410	22.3
234.16080	13.2
235.14786	12.2
237.12669	9.3
237.14668	33.9
239.14333	4.1
245.13283	4.6
247.14719	6.9
247.17046	12.4
248.14133	12.2
249.16391	8.4
250.15559	3.8
251.18051	5.6
253.15869	7.3
255.17383	22.6
259.14789	7.5
261.16315	7.4
263.18045	6.0
269.18967	4.1
270.19745	6.1
271.17053	9.3
274.19241	14.7
275.18027	5.6
277.19583	4.5
279.17505	5.3
281.18890	6.0
285.18661	8.7
286.19318	23.4
287.20035	15.8
293.18814	5.5
294.19818	8.4
297.18561	7.9
299.20004	15.8
303.19528	63.4
311.19907	4.5
312.20660	6.8
313.21600	24.3
319.20587	5.0
325.21689	13.9
337.21640	14.2
352.23959	100.0
365.24728	19.8
377.24918	7.9
383.25702	7.7
487.31879	7.6
502.34055	11.7
503.35181	6.6
505.33182	9.3
507.34457	8.8
508.35355	8.3
520.28845	4.6
520.35638	46.8
582.40466	6.3
583.41589	4.1
585.39197	6.9
600.41467	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	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01866	1.7
55.05508	4.1
56.05029	0.8
57.98789	1.0
58.99302	0.9
58.99590	15.9
61.01138	0.8
63.60544	0.6
67.05517	8.0
69.07075	5.0
71.04985	1.2
71.14463	1.2
76.02232	71.5
76.03991	2.7
79.05492	6.1
81.03413	0.7
81.07063	9.3
83.04976	2.7
83.06097	1.8
83.08617	1.3
84.04056	1.0
84.04510	13.7
85.06565	0.7
86.99048	3.8
88.02222	1.5
91.05486	6.9
93.07052	7.9
95.04978	2.5
95.08614	5.4
96.04426	0.6
96.64704	0.6
97.01085	0.7
97.06513	1.3
97.10150	1.0
99.05569	0.8
101.65074	0.6
105.07030	9.2
107.04970	3.5
107.08595	5.8
109.06548	3.7
109.10137	2.8
114.03809	0.9
116.01683	23.8
117.07001	2.7
119.08578	5.5
121.06491	4.3
121.10152	3.9
123.08077	1.3
129.06635	1.3
130.04996	4.8
131.08595	5.7
133.06522	1.2
133.10132	6.8
135.08046	1.7
135.11684	2.2
137.09642	1.1
139.14395	0.7
141.04738	0.8
142.03232	7.6
143.08559	1.8
144.01164	12.8
145.06305	1.0
145.10120	6.3
147.08046	1.5
147.11694	4.9
149.09567	1.9
151.11214	2.2
155.08548	1.1
157.10162	1.3
159.08061	1.1
159.11707	2.4
161.09579	1.7
161.13199	1.0
162.02213	42.7
163.11211	2.6
169.10083	0.9
170.02673	3.2
171.11700	1.8
173.13260	1.3
175.11243	1.1
179.04861	100.0
183.11679	0.8
187.05348	2.5
191.14316	1.6
199.14763	0.7
207.13838	2.4
215.04892	1.6
219.13760	1.6
229.19473	0.8
233.05910	13.7
239.17995	1.1
245.05998	4.3
247.20561	1.4
257.18985	4.4
273.18558	4.1
275.20087	30.1
291.06415	2.4
291.19601	3.3
293.21118	20.3
293.24353	1.4
308.09128	31.6
333.18558	0.7
333.89142	0.7
351.19846	1.3
368.22522	9.0
399.88019	0.7
453.24103	6.2
470.59744	0.6
471.25278	1.4
507.25479	0.7
525.26422	3.1
559.78351	0.6
582.28259	0.7
600.29388	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	599.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
53.66526	1.2
55.01854	2.4
55.05515	25.6
57.03432	6.4
57.06835	1.4
57.07072	15.2
59.04984	5.9
62.91718	1.3
65.03928	3.1
67.05509	70.9
69.06748	1.6
69.07072	26.3
69.30132	1.3
70.89705	3.3
70.90043	1.6
71.04965	2.5
71.08635	10.5
77.03918	1.9
79.05499	41.6
81.07059	73.5
83.04942	1.5
83.08242	1.3
83.08627	15.4
85.06514	1.5
85.10153	4.9
85.10616	1.3
91.04911	2.0
91.05482	40.5
93.07046	44.5
95.04946	2.9
95.08611	70.7
95.17365	1.3
97.06507	5.1
97.10149	8.5
99.08078	1.4
103.05456	1.4
105.04488	2.1
105.07034	40.7
107.07907	1.7
107.08596	33.5
109.06485	2.4
109.10155	30.3
111.08058	2.5
111.11743	2.1
117.07012	13.6
119.08588	36.5
121.10142	26.7
123.08054	2.6
123.11721	11.7
125.09620	1.8
128.06157	2.9
129.06967	5.4
131.07625	2.0
131.08574	26.6
133.08676	1.5
133.10133	27.1
135.11699	19.2
137.13261	4.0
139.11176	1.9
142.07799	1.9
143.08557	7.3
145.10139	27.5
147.11696	18.1
149.09540	1.8
149.13286	9.0
151.14772	1.6
155.08571	2.6
156.09358	2.1
157.10156	8.6
159.11699	17.3
161.09607	1.5
161.13274	9.7
163.14784	4.6
169.10088	2.4
171.11714	9.9
173.13271	10.9
175.14828	7.7
177.16438	2.3
183.11644	3.8
185.13208	6.0
187.14870	9.0
189.16341	3.6
195.11731	2.3
197.13171	2.2
199.14809	4.8
201.16367	3.9
203.17923	3.4
211.14861	2.4
213.16379	3.9
215.18028	2.6
217.19485	1.8
221.15332	2.3
225.16391	2.2
227.18027	2.8
229.19484	2.1
239.23579	2.1
241.19698	2.2
243.21040	3.0
245.18927	3.8
247.20576	4.1
249.21985	1.4
259.20508	6.0
261.22076	5.9
269.22720	2.0
273.22214	1.4
285.22125	1.6
287.23547	4.1
295.22476	1.6
313.27441	17.6
319.22614	2.4
321.24210	5.8
323.25723	4.8
333.24295	2.6
335.25757	9.8
337.27231	4.6
342.81931	1.5
343.26221	1.8
361.26361	1.3
379.29898	1.4
428.76828	1.7
489.35464	2.3
503.36945	2.4
507.41528	6.9
525.42865	4.2
529.38629	1.8
543.40515	1.8
581.46045	11.2
581.54199	2.4
599.46625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82869	1.0
53.03950	5.5
55.01863	1.6
55.05511	26.7
57.03437	7.2
57.07074	11.3
59.05005	1.2
62.23362	0.9
65.03925	3.9
67.05504	69.8
69.03421	1.1
69.07066	29.1
71.04987	2.6
71.08616	6.2
77.03908	0.9
79.05494	46.0
81.07055	79.5
83.04971	1.7
83.08625	13.2
85.06529	2.8
85.10174	2.7
89.06055	1.1
91.04906	1.6
91.05477	39.8
93.07044	47.3
95.04944	3.0
95.08605	68.0
97.06512	4.4
97.10153	7.4
99.08107	1.7
105.04501	1.7
105.07030	41.5
107.08594	32.2
109.06517	1.9
109.10159	31.4
111.08069	1.8
111.11726	1.2
115.05456	1.3
117.07026	11.2
119.08585	35.4
121.10141	29.2
123.08064	2.0
123.11697	13.6
125.09645	2.2
127.47948	1.2
128.06230	2.6
129.07021	7.5
130.07806	1.6
131.08569	27.6
133.10135	27.4
135.11678	18.9
137.09668	1.9
137.13307	5.0
139.11128	1.8
141.06982	1.9
143.08562	9.0
145.10123	23.4
147.08023	1.2
147.11696	18.8
149.13269	11.4
151.14763	1.3
155.08589	1.7
157.10136	11.0
159.11687	20.7
161.13257	12.5
163.14836	5.1
169.10164	3.3
171.11685	12.2
173.13260	11.7
175.14850	5.8
177.16437	1.6
183.11699	2.7
185.13249	6.8
187.00484	1.0
187.11118	1.1
187.14835	8.5
189.16409	3.2
197.13246	2.2
199.14871	5.2
201.16382	4.5
203.17932	3.2
211.14873	1.9
213.16412	2.9
215.17918	2.4
217.19559	1.3
221.15294	1.7
227.17934	3.5
229.19518	2.8
231.21065	1.3
239.23819	1.3
241.19566	2.7
243.21092	2.1
245.18988	4.3
247.20601	6.8
259.20581	6.1
261.22156	7.3
269.22610	1.6
271.20441	1.7
277.21857	1.8
287.23788	1.9
295.22421	1.2
299.23669	1.5
303.23215	1.6
313.27487	9.7
316.15152	1.2
319.22751	3.0
321.24280	9.1
323.25742	4.4
327.26877	2.1
333.24152	3.6
335.25772	8.8
337.27448	5.7
341.28171	1.8
475.34338	1.7
489.35345	1.6
503.37283	1.6
507.42099	8.3
525.42877	3.7
529.38708	2.0
543.40417	1.5
581.45636	14.1
599.46643	100.0
600.46906	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
53.13345	0.8
55.01871	2.1
55.05503	8.6
57.07073	7.2
59.04998	3.1
65.03930	3.0
67.05511	15.1
69.03434	12.0
69.07076	9.0
71.04964	1.6
77.03945	1.6
79.05492	19.2
81.03406	1.9
81.07060	21.7
83.04991	12.2
83.08614	6.7
85.06544	7.3
87.04478	1.9
91.05483	29.1
93.07047	32.9
95.04969	14.1
95.08617	17.7
97.06535	6.7
97.10196	1.1
99.08099	1.1
102.19590	0.9
103.05478	2.7
105.07038	47.6
107.04976	2.4
107.08602	33.6
109.06524	11.0
109.10175	11.1
111.04463	2.0
111.08075	3.0
111.11751	1.3
113.09666	1.6
115.05462	4.2
116.06278	1.7
117.07014	11.1
118.07790	1.0
119.04970	0.9
119.08586	42.1
121.06512	10.2
121.10150	32.7
122.07272	1.2
123.04448	1.4
123.08072	14.0
123.11703	2.7
125.06013	2.7
125.09637	6.3
128.06252	7.0
129.07011	11.9
130.07825	3.8
131.08563	22.7
133.06509	3.9
133.07582	1.2
133.10136	23.4
133.11096	1.4
135.08058	13.6
135.11705	7.9
137.05945	2.1
137.09607	7.6
139.07559	2.8
139.11197	2.5
141.07001	5.5
141.52461	0.8
141.96451	0.9
142.04718	1.0
142.07779	13.8
142.08818	1.4
143.07504	1.8
143.08575	26.6
144.09344	8.5
145.06496	2.0
145.10135	27.4
147.08046	16.1
147.11699	7.7
149.09630	15.8
149.13292	1.4
151.07552	13.8
151.11140	1.5
153.07004	3.8
153.09175	2.5
154.07785	3.2
155.08548	10.7
155.10759	2.0
156.09344	11.5
157.10138	34.0
158.10934	3.8
159.08058	13.1
159.09271	1.1
159.11700	16.7
160.08835	2.4
161.09641	12.4
161.13243	5.4
163.11192	9.1
165.07018	3.9
165.09128	20.9
166.07823	2.1
167.08533	6.7
167.10687	16.9
168.09274	4.5
169.10132	18.3
170.10918	6.8
171.08051	1.8
171.11690	19.0
172.12523	1.7
173.09641	7.3
173.13275	9.7
175.11179	8.9
175.14890	2.9
177.09123	3.2
177.12805	1.7
178.07881	1.2
179.08540	6.9
179.10770	1.3
180.09351	3.8
181.10162	10.4
181.12177	6.2
182.10883	6.9
183.08170	1.1
183.11700	18.5
184.12486	2.9
185.09671	4.1
185.13252	7.9
187.11183	5.5
187.14891	2.8
189.12727	9.0
191.08617	1.3
191.10730	1.5
191.14326	4.5
192.09392	3.0
192.11342	0.9
193.10184	8.4
193.11961	1.8
194.10907	5.2
195.11719	12.0
195.13673	1.4
196.08893	1.0
196.12500	2.7
197.09547	1.7
197.13263	14.2
198.13866	0.9
199.11183	5.0
199.14804	4.5
201.12756	3.7
201.16478	1.0
203.08640	1.3
203.14313	9.9
205.10156	2.5
205.12048	1.2
206.10934	2.7
207.11737	9.7
207.13855	10.1
208.12531	4.2
209.09819	1.9
209.13297	13.8
209.15411	5.3
210.10535	1.5
210.14079	2.5
211.11206	4.7
211.14851	6.5
213.12801	3.9
213.16335	1.1
215.10797	1.3
215.14255	4.4
217.10208	2.5
217.12248	2.0
217.15962	1.8
218.10970	1.0
219.11713	4.7
219.13731	1.6
220.12566	3.0
221.13303	7.9
221.15329	41.1
222.14053	2.3
223.11234	2.9
223.14833	7.8
224.11806	1.3
225.12897	4.4
225.16318	4.8
227.14310	2.0
229.10202	1.5
229.12302	1.9
229.15964	2.1
231.11725	2.8
231.13847	1.6
232.12524	3.7
233.13261	5.9
233.15356	34.7
234.14003	1.6
235.14905	4.7
235.16910	1.3
237.12723	1.9
237.14624	1.7
237.16486	3.4
239.14438	2.1
239.17995	1.2
241.15916	2.6
243.11832	1.4
243.14043	1.0
245.13298	3.5
246.14168	1.3
247.14874	4.9
247.17021	2.5
249.16412	4.1
251.14311	1.8
253.15981	1.5
255.17603	1.7
257.19028	1.7
258.14096	1.6
259.14844	4.1
259.17224	1.9
261.16452	3.2
261.18805	1.4
263.14331	1.2
263.17972	3.1
265.19614	1.3
267.17487	2.1
269.19110	2.9
271.17194	1.4
273.16214	1.7
273.18750	1.2
274.19424	1.7
275.17822	1.4
277.15759	1.3
277.19586	1.1
279.17596	2.0
281.19000	9.6
283.20694	1.3
285.18756	1.5
286.19339	2.9
287.20132	3.6
289.19434	1.8
291.17429	1.1
293.18961	1.1
295.20679	1.3
296.33417	0.9
299.20450	4.3
303.20972	1.0
311.20206	1.7
312.20987	2.0
315.20959	1.1
325.22113	1.4
329.22668	1.2
349.21582	3.1
351.23434	1.3
352.24393	1.2
355.24167	1.5
364.23880	2.2
365.24768	2.9
373.25320	3.7
377.24753	2.3
389.24234	1.1
391.26318	4.2
401.27292	1.0
415.28427	1.5
441.30115	3.9
446.71436	0.9
471.32724	1.3
489.33688	4.5
493.33459	4.4
507.34729	78.2
520.35455	1.1
563.38678	1.6
581.39838	6.0
599.40942	100.0
600.41449	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03924	1.7
55.05519	3.8
57.07074	7.8
59.05013	3.1
65.03924	1.2
67.05506	6.5
69.03429	6.5
69.07063	4.5
71.08630	3.3
77.03907	0.8
79.05492	9.0
81.07060	13.9
83.04973	3.3
83.08601	1.3
85.06540	3.3
85.10157	2.0
87.04478	0.7
89.06042	5.2
91.05481	14.5
93.06509	1.2
93.07048	19.8
95.04970	4.7
95.08083	0.9
95.08616	13.3
97.06511	2.2
103.05457	1.1
105.04505	0.9
105.07032	23.6
107.04880	0.7
107.08605	12.4
109.00529	0.6
109.06544	5.0
109.09583	0.5
109.10155	6.1
111.08056	1.6
115.05429	1.6
117.07044	4.4
119.04978	0.9
119.08582	25.9
121.06510	5.3
121.10140	15.0
123.07217	0.8
123.08070	12.1
123.11692	1.1
125.06018	4.2
125.09638	0.9
128.06195	2.5
129.06998	5.2
130.07785	1.1
131.08568	10.2
133.06456	2.5
133.08563	1.8
133.10121	11.8
135.08066	10.6
135.11676	4.3
137.05980	0.7
137.09619	14.1
139.07520	2.2
141.06964	2.2
142.07787	6.5
143.07516	0.8
143.08565	10.4
144.09340	2.7
145.06508	0.9
145.10121	15.2
147.08051	23.6
147.11713	3.7
149.09615	5.1
149.13187	0.7
151.07538	10.2
151.11137	1.1
152.06161	0.7
153.06940	1.2
153.09053	0.8
154.07811	1.0
155.08566	5.0
156.09357	5.9
157.08977	1.1
157.10141	15.6
158.10876	1.4
159.08047	3.6
159.11691	10.4
160.08800	0.7
161.09622	6.0
161.13286	4.9
163.11203	7.9
165.06889	1.3
165.09119	50.7
167.08517	2.2
167.10640	1.1
168.09335	2.2
169.10141	8.4
170.10936	2.8
171.08041	1.1
171.11688	10.3
172.08798	1.0
173.09622	4.6
173.13260	3.3
174.10327	0.7
175.11192	2.6
175.14838	1.8
177.09090	1.9
177.11218	0.9
177.12758	1.2
179.08502	1.9
179.10712	0.9
179.14230	0.8
180.09340	1.2
181.10117	3.9
181.12233	8.8
182.10928	2.2
183.11717	10.2
184.12399	0.7
185.09590	2.2
185.13297	6.7
187.11191	3.1
187.14799	2.0
189.12738	3.9
191.10635	4.3
191.14308	1.4
192.09364	0.8
193.10187	2.8
193.12047	0.7
194.10939	1.9
195.11678	4.6
195.13574	1.1
196.12448	2.1
197.09711	0.9
197.13295	4.1
199.11220	3.1
199.14880	1.1
201.12651	1.4
203.14316	18.1
203.17276	0.7
206.10979	1.2
207.11650	2.9
207.13802	5.4
208.12466	1.4
209.13231	5.8
209.15320	1.8
211.11139	1.8
211.14830	5.3
213.12747	2.0
215.14224	0.9
219.11716	0.7
219.13744	0.7
220.12540	0.9
221.15366	100.0
222.15933	0.7
223.14871	2.9
225.12685	1.6
225.16385	1.5
227.14316	1.3
227.17920	0.9
229.12141	0.8
229.15877	1.5
231.13863	1.5
232.12497	0.7
233.13214	1.6
233.15367	2.3
233.77771	0.8
235.14726	2.1
235.16862	0.8
237.12761	1.0
237.16440	1.7
239.14314	1.5
239.17853	1.3
241.15967	0.7
243.13794	0.9
245.13370	0.9
247.14583	1.4
247.16963	15.3
249.16449	1.1
251.14262	0.9
251.17897	1.1
253.15945	0.8
254.16652	0.7
259.14767	0.8
259.17108	0.7
261.16241	0.8
261.18643	1.2
263.17892	0.7
267.17426	0.6
269.18979	1.2
271.17001	0.8
273.16180	0.8
281.19116	1.9
283.20700	0.7
285.18442	1.4
286.19254	1.3
287.20126	9.5
299.20093	6.2
301.21591	1.8
307.20483	0.7
309.18445	1.2
311.20068	2.0
313.21671	2.2
319.78040	0.6
325.21631	1.9
327.23203	1.7
347.23685	0.7
353.99655	0.7
365.24854	4.4
373.24973	1.0
389.24683	0.8
391.26315	10.0
413.27045	1.9
419.29446	4.2
427.28442	7.4
453.29733	2.2
507.34695	6.3
519.34760	3.1
523.54919	0.7
543.34918	0.7
581.40173	2.6
599.40930	54.7
600.41254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.4
53.03923	1.4
55.01849	0.7
55.05507	3.4
57.07080	5.4
59.04998	2.5
65.03914	1.0
67.05504	7.5
69.03097	0.6
69.03428	7.3
69.07069	2.6
69.22376	3.7
69.22792	0.9
71.04981	0.7
77.03896	0.6
79.05088	0.5
79.05492	8.3
81.03400	0.5
81.06608	0.7
81.07056	11.8
83.04984	2.8
83.08596	1.2
85.06084	0.4
85.06540	3.3
91.04920	0.5
91.05479	12.6
93.07039	18.7
95.04975	5.4
95.08603	11.3
95.30326	0.4
97.06542	3.9
103.05434	1.8
105.07030	22.6
107.08590	11.8
109.06509	6.3
109.09608	0.4
109.10162	4.3
111.04408	0.5
111.08068	1.2
115.05418	1.3
116.06233	0.4
117.07014	4.7
119.08581	25.8
121.06495	4.9
121.10142	12.3
122.20393	0.4
123.07225	0.7
123.08070	10.8
123.11706	0.7
125.06004	3.1
125.09603	0.5
128.06174	2.1
129.06995	5.6
130.07762	1.9
131.08562	8.7
132.09418	0.5
133.06468	1.5
133.10117	12.1
135.08057	11.0
135.11682	3.2
137.05956	1.3
137.09616	11.8
139.07553	1.7
141.06963	2.5
142.07764	6.3
143.07498	0.8
143.08562	9.6
144.09335	2.3
145.06485	0.7
145.10123	14.9
147.08044	21.3
147.11714	3.1
148.08817	0.5
149.09618	3.3
149.13255	0.5
151.07545	9.3
153.07004	0.8
153.09035	0.7
154.07748	1.0
155.08554	5.8
156.09320	5.0
157.06499	0.6
157.10120	15.7
158.07208	0.6
158.10915	1.0
159.08063	3.3
159.11694	10.0
161.09598	4.6
161.13266	4.5
162.10376	0.7
163.11177	8.2
165.06888	1.3
165.09109	49.7
166.07771	0.7
167.08522	2.1
168.09364	2.6
169.10130	8.6
170.10948	2.7
171.08110	0.9
171.11684	8.8
172.08862	0.7
173.09612	3.5
173.13307	3.0
174.10388	1.3
175.11205	3.1
175.14821	1.8
177.09096	1.9
177.12724	0.8
179.08575	1.8
179.10715	0.8
179.14340	0.5
180.09273	1.1
181.10239	3.4
181.12207	6.6
182.10881	1.8
183.11679	9.6
184.12372	0.7
185.09683	1.1
185.13243	6.6
186.10402	0.6
187.11185	3.0
187.14825	1.9
188.11848	0.5
189.12743	4.0
191.10735	2.9
191.14304	1.2
192.09320	0.5
193.10112	1.9
193.12105	0.8
194.10916	1.1
195.11705	4.2
195.13759	1.6
196.12474	1.9
197.09604	1.0
197.13272	4.2
198.10521	0.4
198.13998	0.7
199.11134	2.6
199.14874	1.2
201.12717	1.7
203.14313	16.7
206.10904	1.2
207.11690	2.7
207.13797	6.2
208.12456	1.3
209.09547	0.6
209.13335	4.5
209.15211	0.8
210.13899	0.7
211.11195	1.2
211.14816	5.4
212.11867	0.7
213.12766	2.5
215.14311	1.4
217.15926	0.5
219.11780	1.1
219.13765	0.6
221.15356	100.0
222.13882	1.0
222.15811	1.1
223.11124	1.0
223.14857	1.8
225.12692	1.9
225.16342	0.9
227.14262	1.1
227.18051	0.6
229.12337	1.0
229.15887	1.7
231.11667	0.5
231.13806	1.6
233.13284	1.1
233.15401	1.7
235.14813	1.1
237.12776	1.0
237.16443	1.2
239.14317	0.7
239.17914	0.7
240.15115	0.6
241.16005	0.8
243.13828	0.8
243.17509	0.6
245.13268	0.6
247.14954	0.7
247.16953	16.3
249.16496	0.9
251.14301	1.1
251.17874	0.8
253.16016	0.6
255.13849	0.5
255.17519	0.8
259.14706	0.6
261.16183	0.6
261.18613	0.8
263.17969	0.8
265.15839	0.6
267.17413	0.8
269.19061	0.8
271.17010	1.0
273.16086	0.8
281.19000	1.9
285.18701	1.1
286.19318	1.8
287.20062	6.6
293.19180	0.6
293.51447	0.5
299.20117	5.3
301.21564	2.4
303.20682	0.6
309.18469	0.9
311.20078	1.6
313.21683	1.8
325.21701	1.7
327.03793	0.5
327.23270	2.3
335.20074	0.6
347.23834	0.4
365.24799	5.0
373.25452	1.4
391.26230	8.3
413.26944	1.0
419.29349	3.7
427.28476	6.1
453.29953	1.8
473.08578	0.5
489.55667	0.5
507.34692	6.1
519.34674	3.0
543.34827	0.8
581.40063	2.4
599.40930	54.1
600.40887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.03438	2.0
57.07080	96.3
59.04718	3.0
59.05002	56.1
62.94596	1.5
67.05483	1.6
69.07052	3.9
71.08633	100.0
71.15559	3.9
79.05468	1.6
81.07052	2.9
83.08622	4.1
85.10187	92.4
87.04476	3.6
89.06030	16.3
90.39986	1.5
91.05463	2.7
91.91866	1.6
97.10138	3.2
99.11746	10.1
101.09675	2.6
103.07601	4.2
105.07023	2.5
107.08605	1.8
107.46497	1.6
117.09151	18.3
125.13548	1.5
131.07025	1.6
133.08604	11.0
133.10159	2.1
141.16379	6.5
151.09718	2.4
174.76814	1.6
175.13252	1.8
191.12791	3.8
199.20592	20.4
209.13988	2.6
257.24719	25.6
267.17667	2.0
277.60318	1.7
315.28903	1.6
452.42654	1.7
538.26935	3.9
598.29321	13.4
598.48773	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	599.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01870	1.2
57.03438	1.2
59.24770	0.7
67.05490	0.9
69.03429	1.7
69.52953	3.3
69.53375	1.6
70.06602	4.0
72.08141	2.2
79.05478	1.6
81.03426	1.4
84.08137	1.8
85.02905	2.6
85.79818	0.7
86.09707	2.1
87.04443	0.9
91.05454	0.8
93.07054	0.7
95.04980	1.3
96.08157	1.0
97.02881	2.1
103.92801	0.7
107.04957	100.0
108.05273	1.2
109.02928	0.8
109.10148	0.8
110.07151	1.2
120.08061	1.2
121.02875	1.7
121.06469	1.0
121.46689	0.6
123.04446	1.7
131.04858	1.6
135.04388	0.8
136.07587	1.0
147.04398	1.7
147.08070	1.1
149.05954	1.2
151.03941	1.4
161.05998	0.7
163.03911	2.5
168.95209	0.6
173.05980	1.0
175.03926	3.1
175.24873	0.7
177.05493	1.2
181.05005	1.6
184.49161	0.7
185.05928	0.7
187.03877	2.1
187.07799	0.7
189.05481	1.6
191.03375	0.8
193.05013	2.9
197.06017	0.8
201.05544	1.6
205.04977	3.8
207.06543	1.2
213.05544	1.7
217.04942	4.0
219.03030	0.9
219.06575	1.4
221.04562	1.4
223.06007	1.2
229.04953	2.0
231.06543	2.3
235.06058	2.9
241.04951	2.3
243.06519	1.1
245.07832	1.0
247.06036	6.1
255.06479	1.0
259.06042	7.0
271.06024	3.0
275.08994	0.7
277.07205	2.1
283.05975	2.2
285.07446	1.3
287.05435	1.3
289.07080	1.7
295.05991	1.1
299.09067	2.4
301.06964	4.2
311.09103	1.3
313.07080	3.1
317.10345	1.0
323.09183	0.9
325.07184	2.1
329.10199	2.7
341.10229	4.6
341.87625	0.7
343.08017	1.6
353.10275	6.5
365.10248	4.5
377.10104	1.2
383.11298	7.2
389.10159	1.8
395.11176	7.1
401.10452	0.7
407.11182	6.6
413.12488	1.1
419.11224	6.2
425.12134	3.4
431.13306	7.9
443.13266	3.1
449.12354	5.8
461.13065	2.2
467.13428	2.3
479.13477	2.9
485.14496	2.2
491.13101	1.5
497.14520	4.7
509.14374	1.2
527.14825	1.8
599.32574	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	598.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00975	0.6
52.12588	0.6
52.81576	0.5
55.05517	2.0
57.03438	2.5
57.07077	100.0
58.06608	0.6
59.05003	35.7
67.05518	1.9
67.13247	0.6
69.03941	0.6
69.07074	1.8
71.08633	70.9
81.07079	1.0
83.08617	3.2
83.81232	0.5
85.10183	61.7
87.04483	1.9
89.06027	17.9
91.05469	0.9
93.07083	0.7
95.08649	0.8
97.10166	3.2
99.11729	14.2
99.12331	1.0
100.07634	0.6
101.06055	0.9
101.09679	3.5
105.07056	1.2
107.07074	0.8
111.11741	1.5
113.13293	4.8
117.09138	14.2
117.09905	1.0
119.08620	0.9
121.10178	0.7
123.11725	0.7
131.08560	0.7
133.08615	7.0
133.10170	0.9
147.10167	1.4
151.09688	0.9
155.17944	8.8
175.13338	1.2
177.11258	4.8
177.99055	0.7
195.12305	5.4
213.22137	18.3
229.41292	0.7
235.15538	1.6
253.14336	0.8
253.16396	3.0
254.24944	0.7
271.26306	20.1
271.29044	1.0
293.19754	0.9
311.20822	1.3
329.30585	1.6
369.25021	0.9
516.68115	0.6
598.49255	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	598.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61581	0.8
60.04525	1.9
67.05518	1.9
69.07096	1.4
70.06596	3.2
71.49530	1.1
72.08165	1.5
74.50826	0.8
75.05631	1.0
79.05515	1.6
81.03440	1.3
81.07059	1.7
84.08147	2.0
86.09710	100.0
91.05505	2.0
93.07031	1.3
95.04940	0.9
95.08616	1.3
97.02946	0.9
98.09705	10.0
99.05603	3.6
105.07085	1.1
107.04992	1.6
109.06573	0.9
109.10192	0.9
110.07203	1.1
117.06654	1.6
119.04943	1.6
120.08069	1.3
121.06562	1.0
127.05041	6.3
127.12371	1.1
131.27322	1.0
137.05978	1.4
139.05043	2.4
143.11803	15.9
143.12820	1.3
144.07704	1.3
145.06049	5.2
154.15941	3.7
155.11833	3.6
156.07718	2.5
156.53642	1.0
166.06097	1.7
167.07066	1.4
167.11891	2.3
171.11313	8.0
183.11391	2.8
184.07169	6.1
185.12848	6.4
195.11314	5.3
199.18109	1.4
202.08197	1.5
211.18073	20.4
212.14014	1.3
213.10045	1.2
213.12379	4.6
222.12468	1.3
228.13533	2.4
239.17491	8.8
240.13496	3.4
241.09441	1.9
245.10460	0.9
252.13490	7.3
258.14612	2.0
259.10330	1.6
266.18701	1.0
269.16049	4.3
270.14499	5.8
279.14490	1.0
284.19839	1.3
287.17297	2.0
296.19702	1.6
297.15689	2.9
315.16727	3.7
326.18283	2.1
327.16656	1.4
337.22305	1.4
341.21826	1.9
352.26089	1.1
353.21832	1.0
354.17798	3.1
355.23557	2.9
365.21869	2.1
372.18829	1.5
382.24573	1.8
383.22842	5.4
400.25659	2.6
410.23892	3.1
426.30606	1.6
428.25128	2.3
439.26572	1.6
440.25037	3.1
449.25058	2.9
457.27902	5.0
467.26175	14.8
485.27032	7.4
496.31619	5.2
511.32333	1.1
522.69843	1.0
525.33929	1.8
535.32697	2.1
552.34906	3.4
553.33466	3.8
562.33289	5.4
570.36139	11.9
580.34570	20.8
598.35480	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	596.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11275	2.8
53.03946	4.2
55.01850	5.0
55.05263	2.7
55.05511	18.0
55.67226	2.6
56.05029	7.1
57.03425	9.6
57.07077	5.7
58.05873	2.7
58.99583	47.8
59.04990	3.5
60.04506	6.2
61.01169	4.4
63.64819	2.4
65.03916	3.2
67.05503	40.1
69.03417	6.3
69.07071	27.7
69.24134	3.0
69.89321	6.9
69.89715	5.3
70.02921	3.2
70.06591	27.7
71.04990	17.8
72.08147	10.6
73.02908	4.4
74.00688	2.9
74.06065	3.2
76.02223	42.3
76.03992	9.1
79.05489	26.3
80.05020	3.1
81.03411	6.3
81.06596	5.5
81.07055	90.8
83.04958	6.5
83.06105	10.1
83.08607	15.8
84.04501	28.0
84.08141	12.8
85.01138	3.1
85.02888	10.6
85.06511	13.1
86.09700	15.0
86.99055	18.0
87.02676	8.7
87.04466	5.8
88.02200	9.2
91.05471	31.8
93.07047	32.3
95.04960	9.5
95.08604	100.0
97.01107	2.7
97.02888	28.0
97.06525	23.1
97.10173	6.5
99.04410	5.4
99.05542	7.0
99.08069	9.3
101.07078	3.2
102.05535	6.4
105.07022	33.7
107.04928	3.5
107.08611	18.4
109.02924	4.7
109.06469	4.5
109.07688	3.1
109.10142	16.0
110.07176	3.1
111.02670	5.6
111.08067	6.4
113.04249	4.5
113.09690	2.8
114.03760	4.6
116.01675	99.3
116.07069	5.0
117.07024	4.6
119.04915	9.7
119.08585	40.5
120.08096	11.4
121.02848	9.0
121.10138	13.8
123.04400	10.0
123.08060	7.9
123.11674	3.2
125.04181	3.5
127.03914	5.6
129.06590	15.5
129.10207	6.4
130.04996	11.7
131.08562	3.7
133.10106	30.3
135.11684	17.1
136.07567	7.5
137.04214	3.2
137.09624	5.2
137.13243	8.7
139.03848	3.1
141.04773	3.3
141.09052	4.5
142.03195	29.7
144.01137	38.3
145.06094	6.8
147.04414	8.0
147.11702	4.0
149.13249	8.3
159.11667	4.4
161.13255	69.7
162.02197	94.5
163.03830	3.3
163.09669	3.3
167.07050	3.6
170.02635	5.4
177.03302	4.8
177.12830	3.3
178.15891	3.2
179.04805	7.5
179.14316	58.6
186.07629	8.3
187.05435	4.3
191.14281	3.7
197.15337	23.4
204.08675	5.2
207.06572	7.9
215.16457	3.0
218.04831	15.2
234.04688	3.1
237.13037	5.3
245.05994	4.8
253.17867	7.1
255.14105	6.3
271.19058	81.8
272.06415	4.9
272.16742	17.3
273.15128	3.6
277.19162	2.9
283.06018	12.9
284.06393	16.6
295.05878	7.5
296.06302	8.5
300.16245	13.7
302.07776	3.3
307.05994	4.2
308.06317	5.6
309.07285	6.4
310.07980	4.6
313.07138	16.9
313.26678	2.9
314.07327	21.5
325.07077	8.5
326.07422	9.6
329.17679	19.6
330.26514	4.3
337.07114	6.3
338.07312	11.9
340.15784	5.3
346.20337	3.9
347.18817	26.3
350.07324	6.0
350.96863	3.3
358.16843	6.6
362.07306	4.2
364.21274	5.2
368.08377	4.0
379.07977	4.5
380.08493	7.3
382.22012	3.2
392.08173	3.7
398.09525	3.4
401.21188	5.1
404.08374	3.1
410.09457	6.5
414.19226	4.8
416.10495	5.8
431.21658	8.1
432.20535	28.2
434.11581	11.0
446.09668	3.4
447.10059	2.9
449.23123	44.7
450.21527	10.8
458.11365	10.0
467.24258	74.8
476.10297	4.5
500.10492	4.6
503.24100	26.1
504.23303	5.6
515.23431	2.9
521.25098	39.0
531.13232	3.1
542.13043	3.8
560.13031	5.0
578.15430	10.4
578.27203	28.3
596.27948	24.2
597.21893	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	595.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01853	1.6
55.05517	3.3
57.03447	1.7
57.66352	1.5
65.03939	2.3
67.05499	3.5
69.03422	2.7
69.07079	2.2
70.06591	9.9
70.40524	3.1
71.05017	1.6
71.48641	1.3
72.08147	5.0
79.05500	2.8
81.03406	4.6
81.07047	4.0
83.04980	1.9
83.08601	1.7
84.04510	3.8
84.08127	4.5
85.02887	4.8
85.06508	2.1
86.09692	7.9
86.65096	1.4
91.05476	21.5
93.07030	4.4
95.04957	10.1
95.08611	3.8
97.02909	2.0
99.04454	4.1
103.05524	1.6
105.05598	1.6
105.07022	3.2
107.04929	2.1
107.08567	3.5
109.02862	2.9
109.10152	3.1
111.08066	1.5
119.04946	31.2
119.08602	2.2
120.08104	5.0
121.02885	7.0
121.10131	2.8
123.04369	2.4
125.75742	1.2
127.03882	1.8
131.04843	1.5
132.02046	2.2
133.10091	4.3
135.04407	2.1
136.07625	2.4
139.07541	1.6
145.02866	2.8
147.04405	28.3
149.02312	1.5
149.09639	1.7
149.13191	1.6
153.09073	4.0
157.03943	2.6
163.03944	7.7
167.07054	2.8
173.13179	1.9
175.03917	47.2
179.06973	2.3
191.14359	4.6
203.03325	2.0
207.06538	100.0
209.15323	9.9
253.08775	1.8
271.06046	1.6
283.06003	11.2
284.06836	3.1
287.05350	1.5
294.05237	2.1
295.05969	14.0
297.07458	1.9
307.05975	4.8
308.06726	3.2
309.07556	2.9
313.07077	18.3
321.07758	3.3
325.07111	7.9
337.07037	9.4
349.07117	4.3
354.47018	1.6
361.07001	2.5
367.08456	1.8
369.11862	6.9
379.08154	6.5
391.08136	3.4
397.09274	3.2
403.08258	2.0
409.08975	5.3
415.10205	4.0
427.10107	4.4
433.11188	5.7
439.10269	3.2
455.35101	1.6
457.11075	10.3
475.12167	2.3
481.11258	2.6
499.12378	2.3
511.11746	2.3
523.12457	1.9
541.13263	3.1
559.13910	1.9
578.18152	2.3
583.39349	1.7
592.24323	1.6
595.22693	4.0
595.33545	7.9
619.57239	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	595.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01877	1.1
55.05519	1.5
63.82343	0.7
65.03937	1.7
67.05512	1.5
68.99819	0.7
69.03436	1.7
69.07080	1.0
70.06592	4.6
71.49422	1.1
77.03922	1.2
79.05492	1.7
79.51521	0.7
81.03428	3.2
81.07056	3.3
84.08144	0.8
85.02903	2.8
86.09708	2.3
89.03921	1.0
91.05477	23.0
93.07053	1.6
95.04946	1.1
95.08625	1.6
97.02902	1.2
97.06535	4.1
103.05459	2.4
105.07029	0.9
107.04932	2.0
107.08602	1.5
109.02885	2.3
109.06521	2.0
116.07131	1.2
116.61317	0.7
119.04948	29.7
119.08583	1.9
121.02885	6.1
121.06448	0.9
121.10168	1.7
123.04430	1.5
123.08092	0.9
127.03881	0.9
128.13344	0.8
131.04912	1.2
132.02068	1.1
133.02811	0.8
133.10144	1.0
135.04437	2.1
135.11755	1.0
136.07634	1.0
137.05997	0.9
145.02800	1.5
145.10146	1.0
147.04419	30.2
147.11769	1.0
149.02356	2.3
149.05981	1.2
151.03891	1.0
151.07597	1.8
153.05429	1.0
157.03966	2.5
157.10095	0.8
161.05937	0.8
161.13274	1.1
163.03926	2.5
163.11176	1.4
165.05441	1.0
167.07056	8.3
167.19109	0.8
175.03908	46.3
177.01802	0.8
177.05481	1.6
179.03528	1.1
179.07018	2.7
181.04948	4.3
187.03860	1.0
189.01875	1.2
191.14401	1.5
201.05351	0.9
203.03368	2.3
207.06534	100.0
207.13866	1.6
208.06947	0.9
209.08116	2.8
209.15411	1.2
217.05101	1.0
267.06534	1.7
268.07486	1.4
271.06015	2.9
279.06393	1.3
281.08261	0.8
283.06073	10.2
284.06647	1.0
285.07364	1.0
294.05417	0.8
295.06100	7.2
295.09244	1.3
296.06711	1.5
297.07690	2.5
307.06015	2.7
308.06860	2.2
309.07541	2.7
313.07010	9.3
321.07654	6.6
323.09216	1.6
325.07034	20.7
326.07544	1.4
329.06552	1.6
333.07431	1.2
337.06934	4.8
347.09097	0.9
349.07135	2.4
351.08731	3.0
353.06473	0.8
355.08002	1.6
361.06979	1.4
367.08136	1.4
369.11996	4.1
375.08545	1.3
379.08084	5.3
391.08121	1.4
395.08456	0.9
397.08850	1.0
403.08197	1.6
409.09158	2.6
415.10452	1.5
416.14688	1.7
421.08954	1.3
427.10318	2.2
433.11627	1.7
439.10004	1.3
445.12543	2.8
457.11188	4.6
475.13699	2.2
481.11401	1.5
499.13431	3.0
523.12390	1.7
529.14819	1.1
541.13770	1.7
559.15057	1.2
577.16846	1.7
587.74329	0.8
595.21350	1.2
595.34015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.1
55.01842	0.9
55.05468	0.6
57.03384	0.5
62.29305	0.6
65.03905	0.9
67.05450	1.6
69.03390	0.9
69.07018	1.0
69.58945	0.5
70.06539	1.6
70.08691	1.3
70.09080	1.8
72.08125	0.7
74.13251	0.5
74.47666	0.5
79.05454	0.9
81.03367	2.2
81.07027	1.0
83.04925	0.6
84.08107	1.1
85.02840	2.5
85.03294	0.7
86.09634	1.7
91.05480	5.4
93.03363	1.8
93.07012	0.6
95.04915	0.9
95.08552	0.9
97.02844	1.0
97.06491	0.7
97.10186	0.5
98.21078	1.4
103.05418	2.1
105.06956	1.1
107.04951	3.2
107.08533	0.8
109.02887	3.6
111.04424	0.7
115.05370	0.7
119.04945	11.6
120.08064	0.8
121.02866	11.9
121.06466	1.4
121.10113	0.6
123.04421	0.6
127.03767	0.6
131.04909	3.1
133.02859	0.9
133.06451	0.7
133.10164	1.0
135.04385	1.0
135.11621	0.8
137.05898	2.2
139.03836	1.2
143.04898	0.7
145.02792	1.6
147.04422	5.4
149.05948	1.1
151.03825	1.3
151.07550	0.9
159.04359	1.3
161.02353	2.8
161.05905	1.0
165.01823	0.8
167.06998	2.1
171.04341	0.8
175.03923	7.7
177.01868	5.3
177.05437	1.5
179.03354	5.4
181.04932	2.0
187.03830	0.9
189.01845	5.0
189.05455	1.1
191.03378	1.4
195.02902	11.3
197.04416	0.7
199.03894	2.2
201.01903	0.7
201.05453	0.8
203.03398	11.8
207.02908	6.5
207.06525	11.4
213.05174	0.5
215.03401	1.4
217.04979	6.8
219.02911	0.6
221.04387	2.5
225.03929	0.7
227.03383	1.9
231.02834	0.7
243.02968	3.0
245.04404	0.8
251.07034	1.0
255.02869	3.8
267.06506	1.8
268.07248	3.7
271.05966	0.9
271.10553	0.6
273.03891	2.1
279.06586	3.5
279.74811	0.6
283.06012	5.9
284.06845	0.8
287.05643	0.8
293.08093	1.1
294.05280	1.0
295.06015	100.0
296.06668	5.1
297.07614	5.3
306.09467	0.7
307.06052	10.1
307.09506	0.7
309.04300	1.0
309.07474	3.7
313.07169	3.2
317.08127	1.6
319.06192	1.1
319.09918	0.6
321.07581	24.0
322.08090	0.8
323.05521	0.6
323.09079	1.2
325.07077	73.9
326.07465	0.8
333.07468	1.8
335.05719	0.7
335.09140	17.4
337.07010	4.6
345.07428	2.8
347.09134	1.3
349.07098	29.5
355.07977	0.9
356.39554	0.6
361.07086	21.2
363.08685	3.4
367.08005	1.6
369.11810	0.6
373.07083	7.4
379.08148	19.0
391.08170	23.1
403.07941	0.7
409.09164	20.6
415.10147	0.8
416.14828	1.3
421.08698	0.7
427.10254	9.0
433.11932	1.8
439.10303	1.4
445.12878	5.8
457.12204	4.8
475.13983	6.7
481.11002	1.0
499.13925	14.6
511.13080	1.3
523.13470	1.1
529.14972	4.6
541.14740	3.1
559.15918	9.1
577.16705	6.5
595.20020	1.1
595.33215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
51.05941	0.9
53.13248	0.8
61.02925	1.9
69.03432	4.7
70.62931	1.0
70.63277	1.8
75.34547	0.8
81.03423	3.3
85.02908	10.5
91.05505	1.0
97.02907	3.4
102.40145	0.9
109.02872	2.5
119.04938	2.7
121.02853	8.0
127.03917	1.3
129.29504	0.8
132.51921	0.9
145.02841	2.0
145.04977	1.9
149.02318	1.8
153.01807	0.8
163.03931	2.6
165.01851	7.8
167.03473	2.1
168.85616	0.8
177.01791	1.9
183.02879	1.2
187.03880	1.4
191.03230	1.0
195.02910	1.7
251.87317	0.9
255.06706	1.4
256.07379	1.4
267.06497	8.5
270.05328	2.6
271.06012	16.9
275.97559	0.8
281.08087	5.7
283.06012	72.3
284.06760	16.3
285.07581	1.9
295.06049	16.1
295.09369	2.0
296.06372	0.8
297.04105	1.0
297.07516	4.2
305.08032	1.6
307.06079	1.9
308.06833	2.7
309.07559	17.8
313.07056	100.0
314.07404	1.7
321.07492	1.9
323.05411	1.5
323.09088	12.4
325.07153	1.7
333.07532	2.2
337.07059	37.8
343.07980	2.0
349.07089	6.6
351.08667	2.4
361.07010	5.5
367.03760	1.5
367.08194	23.0
379.08160	16.5
397.09164	21.0
415.10236	27.5
433.11298	46.2
434.11322	0.9
475.12134	2.8
595.16431	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	595.1656
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
55.01883	1.7
57.03424	3.0
61.02927	2.4
65.03968	2.3
69.99512	6.8
85.02904	6.8
89.85700	1.9
97.02893	1.9
103.03920	2.2
109.02890	2.6
119.04961	10.0
121.02861	45.1
131.04979	2.0
145.02856	3.9
149.02388	2.2
159.04388	2.0
161.05908	1.8
163.03900	4.5
173.02397	4.0
176.01126	2.1
177.01869	10.1
179.03403	3.6
187.03763	3.1
189.01840	12.6
190.02687	2.4
191.03362	4.9
195.02861	6.4
197.06133	2.5
201.01755	3.3
203.03387	16.4
205.05034	2.8
207.02969	9.7
211.03928	2.1
215.03470	3.6
217.04962	4.5
219.02910	6.3
221.04497	3.3
229.05064	4.1
243.02808	2.3
253.05128	2.1
255.02892	4.8
267.06512	5.4
268.07361	7.5
279.06494	7.0
280.07410	3.8
281.08078	6.4
283.06128	8.8
284.06717	4.0
285.03830	2.9
293.08026	5.4
294.05209	22.8
295.06027	93.4
295.09357	3.9
296.06702	7.6
297.07559	9.8
307.06015	50.3
307.09491	4.0
308.06766	17.5
309.07544	18.5
313.07025	5.2
319.06018	6.7
319.09531	2.9
320.06894	4.9
321.07562	33.5
322.08350	13.9
323.05786	3.7
323.09143	7.2
325.07059	100.0
329.07944	3.2
333.07660	11.4
335.05667	3.2
335.09134	15.1
336.06229	5.1
336.10016	2.2
337.07053	64.4
337.11127	3.6
345.07733	4.4
346.08282	3.0
347.09222	11.4
349.07089	29.9
351.08649	20.1
355.08069	20.5
357.07288	3.2
361.07050	18.8
361.10919	3.5
363.08447	5.9
365.10211	8.2
367.08182	6.4
373.07159	7.0
375.08658	11.1
379.08154	52.1
387.08597	3.4
389.10416	4.3
391.08090	30.0
393.09802	2.8
403.08081	26.5
409.09213	41.7
415.08820	3.5
421.09119	29.1
427.10275	40.0
439.10278	33.3
445.10510	4.5
457.11346	79.3
463.10019	5.0
469.09616	3.1
475.12399	12.3
481.11069	20.6
487.10291	5.0
493.11240	4.6
499.12378	18.7
505.11182	5.3
511.12491	19.5
523.12433	23.4
529.13104	8.3
541.05585	2.6
541.13434	28.6
559.14368	23.3
577.15131	7.0
621.37457	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	595.1662
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.7
55.01857	0.6
55.05489	0.9
56.05034	0.4
57.03408	1.3
58.99554	0.5
61.02922	0.8
64.55578	0.3
65.03916	0.4
67.05473	1.3
68.99798	0.5
69.03440	3.3
69.07022	0.5
70.06581	3.7
71.04961	0.6
72.08146	0.9
73.02898	0.7
73.28921	0.4
75.82560	0.3
76.02209	0.9
79.01811	0.7
79.05460	0.8
81.03422	2.2
81.07066	1.9
84.04453	0.5
84.08113	0.7
85.02460	0.5
85.02907	8.2
85.06512	0.4
86.00670	0.4
86.09705	2.3
87.04422	0.5
91.05482	2.1
93.07001	1.2
95.04944	0.6
95.08582	1.7
95.28583	0.4
97.01096	0.6
97.02897	2.5
97.36979	0.4
99.04449	0.4
103.03931	0.7
105.07022	0.7
107.04960	0.6
107.08571	0.8
109.02861	1.7
109.06515	0.6
109.10160	0.5
111.02676	0.4
116.01636	0.5
116.07084	0.6
119.04923	3.2
119.08569	0.6
120.08105	0.9
121.02869	8.2
121.06561	0.5
121.10114	0.5
123.04423	3.6
127.03885	1.6
127.08659	0.4
127.50466	0.3
129.10233	0.5
133.10101	0.7
135.04390	0.8
135.11635	0.8
136.07521	0.6
137.05980	0.6
139.03934	0.5
145.02835	1.7
145.04959	1.2
147.04446	2.3
149.02289	0.5
149.13206	1.0
153.01797	1.1
155.08134	1.5
157.06453	0.6
159.11655	0.7
161.09428	0.4
162.02209	0.9
163.03879	1.7
165.01825	2.0
165.05467	0.7
167.03333	0.9
167.06966	0.6
171.02856	0.7
171.11539	0.5
175.03862	1.8
177.01840	1.1
177.05518	0.6
177.12798	0.6
179.03453	0.4
179.04836	0.7
181.04860	0.6
183.02853	0.5
183.14897	0.7
187.03844	0.6
189.01750	0.4
189.05371	0.5
191.03429	0.9
193.04948	1.4
195.02934	2.2
205.04922	1.1
207.02771	0.5
207.06517	2.8
211.07487	0.8
213.05476	1.7
215.03467	0.5
217.05040	2.0
219.02808	0.4
227.07065	0.7
228.07867	0.4
233.04431	1.0
239.07108	0.5
241.05034	0.5
243.02888	1.0
243.06503	2.1
254.15019	0.9
255.06598	2.1
256.07251	3.7
257.04291	0.6
258.05344	2.1
259.06079	1.2
261.03937	1.4
267.06607	1.9
269.17447	0.7
270.05225	1.1
270.17795	0.4
271.06024	18.8
273.22223	0.4
275.05423	0.5
279.06491	0.8
280.07544	0.5
281.07996	1.0
283.06006	35.6
284.06781	21.2
285.07422	1.9
286.04727	7.1
287.05432	0.8
289.06982	0.5
291.23090	0.5
293.08002	0.5
295.06030	14.2
296.06616	0.9
297.04272	0.7
297.07526	6.6
299.05698	0.6
301.07071	23.9
307.06015	2.3
308.06717	2.1
309.04135	0.7
309.07501	5.6
311.05487	2.1
313.07056	100.0
314.07309	1.5
319.05899	0.5
321.07532	1.6
321.14587	0.4
323.05490	1.3
323.09067	7.6
325.07037	5.4
327.08533	0.7
333.07455	0.7
335.05399	0.6
337.07068	17.9
343.08115	2.9
349.07098	2.0
351.08685	3.4
355.08151	1.1
361.07104	1.3
365.10257	0.5
365.26593	0.6
367.08145	6.2
375.08554	0.5
379.08084	6.3
383.28354	0.5
391.08038	1.2
397.09167	10.4
403.08105	0.5
409.09094	1.4
415.10257	15.1
421.09109	0.8
427.10181	1.2
430.21033	0.8
433.11316	36.2
434.11227	0.5
439.10117	1.0
445.09314	0.5
447.21786	0.7
448.22021	1.7
457.11453	2.7
463.12128	2.1
475.12424	6.5
480.32034	0.9
481.11218	1.0
499.10764	0.8
505.11545	0.6
511.12518	0.6
541.12976	0.9
559.13202	0.6
577.14966	2.1
595.16467	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	595.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.6
68.99795	3.9
71.49015	4.2
76.36907	2.5
77.03931	3.2
81.60712	2.6
91.05453	14.2
95.04982	3.0
105.03407	3.2
118.06540	9.1
119.04934	29.3
121.02861	11.3
123.04435	100.0
127.03922	12.3
131.04907	4.7
132.08131	4.5
135.04404	11.0
137.02365	4.4
139.03850	8.6
144.08080	6.0
146.06003	32.0
147.03250	3.7
147.04407	70.3
149.02330	5.6
151.03946	4.4
163.03911	19.0
165.05470	33.9
173.05933	3.1
173.91087	2.4
175.03912	4.7
177.05498	9.0
179.03462	4.2
187.03925	7.1
188.07066	51.8
188.08621	4.7
189.05492	2.8
191.03389	11.0
193.04993	20.0
201.05479	3.8
203.03407	10.1
205.05025	6.3
205.09732	16.4
213.05501	3.5
215.03362	6.6
217.05014	9.3
223.02370	3.0
229.05013	10.1
231.02869	7.2
233.04437	26.7
243.02956	9.8
245.04448	8.9
247.06007	18.3
256.76935	2.9
257.04428	11.3
259.02408	4.0
261.03897	24.9
269.04422	3.5
271.02866	2.9
271.06064	9.8
273.04092	3.0
275.05569	2.8
283.06171	12.6
287.05530	11.8
289.07089	4.5
291.05029	3.9
295.06149	8.2
297.07785	3.5
299.05573	3.6
307.05975	7.2
313.07068	11.0
321.07632	4.0
325.07083	11.0
337.07126	10.9
349.07001	4.7
351.08463	3.0
361.07172	3.4
365.93195	2.6
379.08054	8.6
391.08215	5.0
403.08029	4.0
407.07724	12.0
409.09021	9.8
419.07608	9.8
421.08972	3.7
425.08606	20.2
427.10339	6.2
433.11133	5.4
437.08466	15.8
457.11050	9.2
523.11890	4.0
595.16144	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	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	7.2
55.05519	26.8
57.03429	14.9
57.07066	13.5
58.59443	3.8
67.05502	52.6
69.03418	5.1
69.07063	9.8
70.06573	10.9
71.04963	6.6
71.46760	3.8
71.49143	5.0
79.05494	31.7
79.67953	4.0
81.03420	69.1
81.07059	43.0
83.04956	7.5
83.08627	21.0
84.08128	4.5
86.09688	8.5
91.05489	30.9
93.07052	20.0
95.04980	27.0
95.08596	13.1
97.02909	4.6
97.10155	18.9
105.07026	22.5
107.04941	18.4
107.08588	19.2
109.06506	15.5
109.10143	22.8
111.04436	5.3
111.08063	9.2
116.07069	9.4
117.06986	6.3
119.08554	20.0
121.06489	14.0
121.10129	17.3
123.08054	6.6
123.11703	4.6
125.09618	17.5
129.07011	11.6
131.08521	12.7
133.06506	4.7
133.10114	16.3
135.08035	7.4
145.06516	7.4
145.10161	6.4
147.08051	10.0
147.11633	7.1
149.09636	6.9
151.11235	4.9
157.10103	14.0
161.09438	4.7
163.11211	6.4
169.10216	4.5
175.11160	6.9
184.07297	15.6
187.11198	5.1
191.14316	5.0
193.12250	22.4
201.13045	5.7
201.14880	14.0
219.13770	8.5
229.14337	11.1
233.15424	7.6
243.15950	8.7
253.14394	5.5
267.15881	45.4
271.15341	8.4
308.45471	3.8
339.23117	5.3
349.21622	8.1
367.22836	20.5
385.23746	35.6
397.25858	42.0
403.24646	13.8
441.26328	5.5
459.21231	7.6
459.27408	100.0
477.28528	71.9
478.28860	4.7
491.30038	13.7
509.30887	5.2
579.41528	4.6
594.32471	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45991	0.3
70.49886	0.3
72.18488	0.3
85.13449	0.3
110.45806	0.3
164.41748	0.4
187.75204	0.3
195.09058	0.4
221.10805	0.3
387.15848	0.4
388.16556	0.4
389.17773	1.1
401.17719	0.7
402.18387	1.1
403.19293	3.5
404.19962	1.3
405.21048	1.7
415.19455	0.7
416.20178	1.2
417.16721	0.9
417.21332	3.9
418.16858	0.4
418.22012	1.8
419.22336	3.5
429.21008	0.6
430.17624	1.1
430.22617	0.4
431.18167	7.9
431.23541	0.5
432.19385	1.4
432.23984	0.6
433.24179	6.8
434.24597	0.9
445.19958	10.8
446.20798	5.0
447.21655	4.4
459.21542	3.3
460.22601	12.3
461.23343	10.4
463.21783	0.4
473.23706	2.0
474.24216	0.6
476.26022	0.7
477.27148	0.5
487.24857	1.0
489.26379	0.7
491.24911	0.5
492.25168	1.0
505.21927	4.6
515.24622	0.3
519.23584	0.7
533.25488	41.6
534.25684	0.9
561.24420	0.3
564.23291	0.7
565.28101	0.8
575.27087	0.4
593.27594	100.0
594.28088	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	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.71224	1.9
70.10532	0.4
71.73524	0.4
95.97027	0.3
109.74158	0.4
189.18822	0.5
211.01128	0.4
243.63397	0.4
389.17850	0.9
390.18503	0.4
402.18167	0.7
403.19498	2.2
404.19937	0.7
405.20871	1.5
416.20404	0.8
417.16196	0.7
417.21402	2.6
418.21512	1.1
419.22400	2.7
431.18393	6.0
432.19061	1.0
433.24265	4.0
434.24585	0.8
439.04163	0.4
445.19885	6.5
446.20764	3.1
447.21872	3.8
459.21909	2.7
460.22598	7.7
461.23322	6.2
473.23587	0.8
476.25604	0.6
477.22540	0.7
491.24649	1.1
492.25687	0.6
505.21954	4.1
519.23981	0.7
533.25500	17.5
534.26074	0.7
564.23267	0.6
593.27582	100.0
594.27808	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	593.1657
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
51.02375	0.5
53.03948	1.1
55.01872	1.7
55.05513	0.6
55.78460	0.3
60.25589	0.4
63.65598	0.3
65.03940	1.4
67.05502	2.5
68.99804	1.2
69.03422	1.3
69.07088	0.8
70.06590	2.1
71.23961	0.6
72.08163	0.8
77.03899	0.8
79.01856	0.4
79.05499	1.9
81.03419	1.4
81.07040	3.0
83.04972	1.1
83.08611	0.5
84.04488	0.4
84.08154	1.2
85.02898	1.4
85.06550	0.7
86.09703	2.2
87.00807	0.6
91.05470	2.9
93.03399	0.9
93.07036	1.2
95.04961	4.0
95.08579	1.7
97.02899	1.3
97.06534	0.4
99.04483	0.5
99.08101	0.6
105.03381	2.1
105.04524	0.6
105.07022	0.4
107.04955	2.8
107.08581	1.0
109.02882	4.0
109.10146	1.5
111.04457	2.5
116.99150	0.4
119.04930	3.8
119.08574	0.5
120.08109	0.9
121.02869	0.8
121.06523	0.5
121.10143	1.1
123.04430	65.3
123.11673	0.6
127.03904	1.5
129.10245	0.7
135.04420	4.7
135.11716	0.7
137.02344	0.6
137.05974	1.5
139.03905	96.9
140.04242	0.5
141.06993	0.8
143.04944	0.7
145.02853	0.6
147.04408	14.6
149.06021	0.5
149.13246	0.9
151.03903	100.0
152.04317	0.7
153.05449	2.0
153.07063	0.3
161.05984	3.3
163.03918	9.3
165.05487	10.7
165.06883	0.6
169.05005	3.1
169.06329	0.7
173.06010	1.9
175.03911	1.8
175.07565	0.8
177.05478	0.7
179.03316	0.7
179.07048	1.4
181.04973	2.0
187.03949	0.4
187.07516	0.9
189.05479	1.2
193.04947	6.0
193.06520	0.6
197.05984	0.9
199.07469	0.5
203.06696	0.4
205.08598	0.6
207.06529	6.7
211.07529	0.5
211.57805	0.5
215.07028	2.0
217.08578	1.0
219.06482	0.5
225.05508	0.4
229.08635	0.4
239.06966	0.8
243.06493	1.3
249.07602	0.5
267.06464	0.6
271.05930	0.7
273.07626	2.7
285.07544	4.9
289.07068	34.1
291.08633	22.7
291.11172	0.3
291.26746	0.4
301.07062	19.8
302.07513	0.4
303.08640	43.4
375.70798	0.4
423.10681	4.0
441.11819	28.4
442.12256	0.6
453.11703	1.7
590.74219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
57.03426	0.6
59.05000	20.1
67.05490	1.0
67.34367	0.6
69.03437	0.7
70.06594	4.4
71.49973	0.9
72.08157	1.5
73.02895	0.7
73.06545	1.8
81.03419	0.9
81.07058	1.1
82.06605	0.5
83.60797	0.6
84.04455	0.7
84.08142	1.8
85.02914	0.8
86.09692	4.0
87.04466	10.4
88.03963	0.6
89.06027	100.0
93.07051	0.6
95.08602	1.0
101.06010	0.8
102.05539	0.6
103.06969	0.5
103.07548	3.3
105.07046	0.8
105.50323	0.5
107.07080	1.8
107.08588	0.8
109.02916	1.3
109.06487	0.7
109.10123	1.0
110.07198	1.2
117.09135	1.6
119.04939	1.1
120.08105	1.4
123.04455	3.9
124.04775	0.9
127.03886	0.6
129.10201	0.6
130.04990	0.6
130.06500	1.2
130.08611	1.2
131.07011	4.0
133.08601	66.0
139.03905	1.9
144.41599	0.7
145.10109	0.8
147.04420	2.6
147.10150	1.4
148.04788	1.3
151.03902	12.3
152.04239	4.1
161.11737	1.0
165.05505	2.0
166.05846	1.2
172.75943	0.6
175.09680	2.2
177.05528	1.3
177.11227	23.9
193.08609	9.9
194.08911	5.5
207.06554	1.1
221.13795	4.5
239.15019	1.2
247.10854	2.0
248.10954	1.3
265.16446	1.5
283.17673	1.7
301.15497	1.2
302.15778	1.7
303.08713	1.9
304.08960	1.9
309.18918	0.7
327.20062	1.6
345.13287	2.4
346.13770	3.0
371.22852	1.7
415.25455	1.8
459.28067	10.1
477.50320	0.7
517.32196	2.5
575.35992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71130	1.1
55.05500	1.2
56.56910	0.9
57.03418	4.8
59.05001	100.0
69.03416	2.7
69.07052	1.1
69.58828	1.0
70.06589	9.3
70.12140	1.0
71.39098	1.9
72.08160	2.8
80.67885	0.9
81.03391	1.6
81.07036	1.3
83.04929	1.0
84.04507	1.7
84.08130	4.0
85.02908	7.9
86.09690	4.8
87.04452	3.0
89.06030	56.9
95.04989	1.6
97.02876	2.2
103.03953	3.8
103.07564	4.0
105.07037	1.2
107.07062	1.4
109.02893	1.3
110.07157	1.3
117.08293	1.5
117.09132	30.0
120.08085	3.0
123.04420	10.7
127.03895	2.0
129.10246	1.8
133.08604	47.7
136.07561	2.0
137.06071	1.2
139.03902	9.8
147.04375	2.9
147.10158	1.4
151.03929	6.4
151.09662	1.7
161.11734	1.7
163.03889	1.4
175.13293	11.8
177.11227	10.8
183.14905	1.1
191.12711	1.8
195.12280	3.4
221.13858	2.4
239.14897	55.8
245.04414	1.8
265.53424	0.9
279.17834	2.1
289.07053	2.6
291.08545	1.5
297.19086	18.4
299.05527	1.5
301.06989	1.7
303.08557	4.8
355.23288	13.6
413.27457	23.8
424.53452	1.2
478.72629	1.1
536.85760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01863	6.0
55.05510	28.6
57.03423	4.8
61.02932	7.5
61.03177	1.4
67.05506	39.0
69.03443	7.8
69.07069	7.5
69.36888	6.4
69.37317	5.4
70.06580	2.1
70.38660	1.4
71.04974	4.0
73.02895	2.1
79.05486	22.8
81.03407	6.4
81.07059	30.6
83.04986	4.1
83.08614	20.0
85.02905	9.7
86.09698	2.1
91.03934	4.0
91.05481	26.1
93.07050	19.4
95.04977	10.5
95.08618	14.1
97.02873	6.2
97.06524	4.1
97.10168	36.9
105.07024	10.1
107.04969	7.7
107.08601	17.7
109.06494	4.6
109.10166	14.9
111.04406	1.6
111.08051	3.3
112.86908	1.5
117.06985	6.7
119.08585	11.4
120.08103	1.7
121.06487	2.7
121.10117	7.7
123.08053	6.3
123.11757	2.6
124.99990	1.8
125.09628	32.0
129.07014	3.8
131.08566	11.3
133.06444	2.6
133.10127	13.7
135.08047	9.2
135.11713	3.8
137.09596	6.3
143.08543	2.9
145.10109	5.0
147.08034	3.1
147.11600	2.1
149.09601	7.4
151.11162	4.2
153.09077	5.5
157.10117	2.5
159.08054	2.7
159.11659	2.4
161.09578	2.7
161.13362	2.2
163.11148	2.2
169.10033	2.1
171.10175	3.3
171.11629	3.2
173.11736	1.8
173.13206	1.6
177.09097	3.8
179.10695	1.4
183.11717	1.6
184.07401	7.5
187.11197	1.8
189.11220	24.2
189.12791	2.8
193.12155	1.7
203.84413	1.7
205.12181	1.7
209.11705	4.3
223.13306	6.5
227.12787	19.6
237.14789	2.3
275.20059	1.9
285.18588	7.8
298.26581	1.5
303.19589	20.2
321.20593	11.0
327.35989	1.7
339.21582	2.4
377.23224	42.4
395.24261	100.0
396.24506	2.0
400.27243	1.6
413.25339	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	592.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.5
53.03954	0.7
55.01871	6.6
68.99789	1.0
69.03417	0.9
69.07043	0.6
69.55766	4.4
70.06594	11.8
72.08162	1.2
72.57826	0.7
76.02209	0.9
81.03410	0.7
84.04487	0.7
84.08125	1.1
85.02877	1.1
86.09731	0.9
91.05452	1.0
93.07048	0.8
95.04949	0.7
96.04493	35.5
101.40237	0.6
107.04950	1.1
114.05534	100.0
119.04955	2.7
121.06518	2.7
122.06036	1.0
123.04424	13.3
125.09669	0.5
127.03928	0.8
130.06546	0.8
135.04402	1.6
136.07591	0.9
139.03914	1.8
140.04242	1.2
147.04391	7.4
149.05986	4.8
156.09056	0.7
159.04424	1.4
161.05998	1.5
165.05461	4.5
177.05473	62.8
179.04884	1.2
207.06520	2.2
216.10239	0.8
260.09299	1.2
278.10309	0.7
311.09610	0.7
318.10895	0.9
318.33698	0.6
329.06262	1.0
329.10199	21.1
358.13913	0.6
386.15775	0.7
412.13879	2.1
430.15002	42.9
431.15390	0.9
592.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.5
53.03954	0.7
55.01871	6.6
68.99789	1.0
69.03417	0.9
69.07043	0.6
69.55766	4.4
70.06594	11.8
72.08162	1.2
72.57826	0.7
76.02209	0.9
81.03410	0.7
84.04487	0.7
84.08125	1.1
85.02877	1.1
86.09731	0.9
91.05452	1.0
93.07048	0.8
95.04949	0.7
96.04493	35.5
101.40237	0.6
107.04950	1.1
114.05534	100.0
119.04955	2.7
121.06518	2.7
122.06036	1.0
123.04424	13.3
125.09669	0.5
127.03928	0.8
130.06546	0.8
135.04402	1.6
136.07591	0.9
139.03914	1.8
140.04242	1.2
147.04391	7.4
149.05986	4.8
156.09056	0.7
159.04424	1.4
161.05998	1.5
165.05461	4.5
177.05473	62.8
179.04884	1.2
207.06520	2.2
216.10239	0.8
260.09299	1.2
278.10309	0.7
311.09610	0.7
318.10895	0.9
318.33698	0.6
329.06262	1.0
329.10199	21.1
358.13913	0.6
386.15775	0.7
412.13879	2.1
430.15002	42.9
431.15390	0.9
592.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.05516	16.1
57.03439	10.0
57.07080	37.8
64.97256	1.5
65.03916	1.7
67.05505	60.5
69.07066	16.6
70.62194	1.7
70.62516	2.5
71.05002	2.4
71.08636	24.4
79.05497	30.6
81.07058	58.2
83.08610	14.5
85.06525	2.4
85.10179	11.6
89.05959	1.3
91.05489	16.3
93.07050	41.2
95.04967	2.2
95.08608	56.7
97.06528	1.9
97.10167	5.8
103.07592	1.6
105.07021	14.4
107.08601	26.9
109.10162	26.1
117.07018	7.3
119.08562	13.6
121.10149	22.5
123.08007	1.7
123.11723	13.3
131.08562	16.2
133.10126	11.0
135.11670	17.7
137.13258	2.6
145.10136	11.7
147.11707	9.2
149.13261	11.6
159.11693	8.8
161.13260	4.2
163.14809	6.5
173.13263	9.9
175.14760	2.2
177.16393	2.4
187.14883	4.0
206.51587	1.7
221.19615	1.6
233.22726	2.5
239.23708	5.0
243.21039	11.3
257.24719	2.5
261.22153	66.1
277.21527	2.2
279.23196	3.0
291.22968	1.6
299.23593	3.2
309.78870	1.5
313.27377	100.0
317.24820	13.0
335.25818	62.9
418.30719	1.6
517.45569	2.2
573.48962	19.9
591.49542	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.05505	19.0
56.00260	2.5
57.03430	11.5
57.07078	46.5
62.57468	2.3
65.03926	4.1
67.05508	73.3
69.07069	18.5
69.35579	10.9
69.36009	10.4
71.04980	2.6
71.08636	30.7
75.43346	2.4
79.05498	41.6
81.07063	79.9
83.04990	2.8
83.08627	18.1
84.29327	2.5
85.10194	15.5
89.73315	2.6
91.05483	24.2
93.07046	45.5
93.59080	3.0
95.04968	5.1
95.08608	72.5
96.08873	2.8
97.10158	8.0
98.21489	5.0
105.07037	20.0
107.08592	34.4
109.10143	34.8
111.08054	3.7
117.07029	8.2
119.08590	15.1
121.10147	27.2
123.11698	18.1
131.08556	15.5
133.10139	14.5
135.11702	22.4
137.13203	6.3
145.10133	13.1
147.11703	10.8
149.13245	16.4
159.11714	10.0
161.13263	11.2
163.14839	5.5
173.13245	13.1
175.14786	3.6
185.13210	4.7
187.14848	7.2
209.61983	2.9
219.17549	2.7
233.22659	4.6
233.77495	2.5
239.23738	4.5
243.21162	15.1
259.20544	3.3
260.21033	3.4
261.22147	78.2
263.11716	2.5
313.27377	100.0
314.27460	4.2
315.28122	4.2
316.69641	2.8
317.24817	17.1
335.25806	66.0
499.44824	3.4
573.48688	22.4
574.49701	2.9
591.49243	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	591.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
55.01872	33.1
55.05513	46.9
57.03421	15.4
57.07055	6.5
57.60556	3.1
60.32426	3.1
65.03920	3.8
67.05508	77.2
69.03419	6.5
69.07069	44.2
71.04984	7.5
71.49564	3.4
79.05492	55.4
81.03425	17.0
81.06599	4.8
81.07060	79.3
83.04986	12.8
83.08627	29.2
85.06533	4.6
91.05481	80.4
93.06501	4.9
93.07046	67.4
95.01337	4.4
95.04963	16.0
95.08606	55.5
97.02869	9.0
97.06534	40.8
97.10158	8.9
99.00806	12.8
99.04491	5.0
103.69807	3.6
105.07027	85.1
107.04967	29.1
107.08575	43.3
109.02877	11.8
109.06522	9.2
109.10136	18.2
111.08101	5.5
117.06993	21.1
119.04928	5.4
119.08591	54.0
121.06504	12.0
121.10131	16.7
122.45811	3.5
123.04442	12.4
123.08061	13.2
123.11687	4.3
125.09630	7.9
129.06990	8.9
131.08553	19.2
133.06448	4.6
133.10129	63.8
134.20859	3.3
135.08012	7.7
135.11678	20.9
137.09601	9.5
139.03877	5.8
139.07535	4.6
143.08546	11.0
145.06459	5.2
145.10139	34.2
147.08058	9.7
147.11652	18.0
149.09607	11.5
149.13275	6.5
151.11189	11.2
155.08591	5.5
157.10098	5.4
159.11673	11.0
161.09602	20.3
161.13283	6.6
163.11186	35.1
165.09195	4.1
171.11632	5.5
173.09592	3.8
173.13248	5.2
175.11198	4.7
177.12720	4.8
179.10722	8.5
179.14331	9.9
181.12230	6.0
189.09068	5.3
207.10184	3.5
217.04909	5.1
223.13191	4.3
225.11198	8.0
227.12759	40.7
245.04332	8.4
253.14304	4.0
257.04520	4.5
257.19101	9.1
269.04517	6.0
273.18588	7.0
275.20071	100.0
281.13849	5.4
283.15353	17.0
287.05475	12.5
291.19562	65.7
293.21103	8.5
296.82043	2.9
299.05362	9.0
299.14877	63.8
313.27307	8.3
335.25735	4.3
349.23651	23.0
365.23056	19.6
421.09103	11.3
573.34253	88.4
591.33752	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	591.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.05029	0.4
67.05472	0.9
68.05032	0.4
69.03423	0.4
69.07063	0.6
70.02936	1.2
70.06581	1.4
71.01794	0.7
72.08152	0.6
74.02112	0.3
74.02443	2.8
79.05474	0.7
81.03394	0.3
81.07042	0.9
83.04957	0.4
84.08124	1.2
85.02880	0.3
85.47710	0.3
86.09672	0.8
87.06448	0.3
88.03963	0.7
91.05470	0.8
93.07042	0.4
94.06543	0.6
95.04945	0.4
95.08610	0.5
96.08118	1.3
97.02883	0.4
105.03336	0.4
105.07024	0.8
106.06534	0.9
107.08608	0.5
109.10151	0.4
110.07171	0.3
115.05431	0.6
117.05741	0.6
117.06971	0.4
118.06544	3.3
119.04971	0.4
119.08498	0.3
120.08073	0.3
121.10056	0.4
123.04427	1.9
128.07062	0.5
129.06996	0.6
129.10268	0.4
130.06531	5.7
130.08604	2.0
131.08528	0.3
132.04440	0.9
132.08089	2.3
135.04301	0.4
139.03896	0.7
142.06494	0.4
142.08633	0.9
143.07292	1.0
143.08412	0.4
144.08060	2.3
145.08841	0.5
146.06018	10.1
147.04401	1.2
150.12793	0.9
151.03891	4.2
154.06499	2.9
155.07283	1.1
156.06891	0.4
156.08080	1.3
157.07613	1.7
157.08850	0.7
158.04817	0.5
158.06030	7.4
158.08374	3.1
158.09651	7.6
159.06752	0.4
159.09155	2.5
160.07567	2.3
160.11211	6.5
165.05463	0.7
167.07301	3.5
168.08066	3.8
169.07599	4.7
169.08897	1.5
170.06026	0.9
170.08362	2.4
170.09689	1.4
171.06807	0.6
171.09177	4.8
172.11189	2.5
174.12830	3.2
175.08672	0.5
177.05441	0.6
179.08600	0.3
180.08130	0.5
181.08896	1.2
182.08351	2.8
182.09668	0.5
183.06834	1.6
183.09113	1.6
184.07668	0.7
184.11244	12.4
185.07138	1.5
186.07796	2.6
186.09163	6.6
186.12770	1.1
188.07133	2.6
188.10699	6.4
193.08620	0.4
194.09654	1.0
195.10477	0.4
196.09531	0.5
196.11226	9.8
197.08546	0.3
201.13919	2.1
202.12244	2.9
203.08159	0.7
205.09724	0.6
210.12811	0.5
211.12312	7.8
212.10703	10.1
212.12781	0.6
213.13863	21.9
214.12228	0.5
215.08202	0.5
219.10201	3.4
229.13362	21.1
230.11787	1.4
231.14902	2.5
239.11694	1.8
239.15479	1.1
240.10266	1.5
255.14897	0.4
257.12839	15.1
258.11230	1.2
275.13895	100.0
276.14301	1.7
283.14487	0.6
301.15558	1.4
306.10059	0.4
348.15897	1.0
371.14908	2.5
377.18350	0.5
395.37067	0.3
421.17554	2.6
439.18634	2.3
529.23401	0.4
556.19836	0.5
573.22382	2.7
591.23322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03459	1.8
55.01861	0.6
55.05508	2.0
56.05032	1.0
57.03426	0.6
57.07066	1.2
60.04506	1.0
67.05508	1.5
68.49508	0.6
69.07057	1.8
70.06602	2.8
71.04969	0.8
71.50687	0.8
72.08157	5.8
73.02898	0.6
74.02436	6.2
79.05463	0.7
81.03387	0.8
81.07034	2.1
82.06579	4.8
83.04962	0.6
84.04488	0.6
84.08138	7.7
85.02895	1.0
86.09700	2.1
87.04494	0.7
88.03984	3.7
95.04952	1.4
96.08131	4.5
98.09705	4.3
103.05457	0.9
109.02846	1.0
109.10161	0.9
115.05486	1.6
117.05640	0.6
118.06554	1.7
119.04945	1.7
120.08114	1.3
123.04426	7.2
124.07587	0.8
127.03951	0.7
128.04900	0.7
128.07062	1.6
130.06525	39.8
130.08632	19.0
132.04449	8.8
132.08099	3.9
134.06042	0.7
135.04337	0.8
137.06007	0.7
139.03899	5.4
142.06471	1.3
142.08646	5.2
144.08093	1.7
146.06006	10.8
147.04408	4.6
148.07565	2.1
149.05988	1.0
151.03896	25.5
155.06108	1.1
156.06810	0.9
156.08040	1.0
157.07590	4.7
158.06010	66.6
159.09177	1.3
160.07582	13.7
163.03865	1.4
165.05513	2.7
167.07220	1.0
168.08089	1.3
169.07613	4.8
169.08922	0.7
173.05957	0.8
173.08252	0.6
173.72722	0.6
174.09148	0.8
175.08635	6.0
176.07040	1.4
177.05470	2.1
183.09227	0.9
184.11183	1.4
185.07094	0.5
185.10806	0.7
186.05515	2.1
186.09140	1.5
187.03899	0.5
188.06992	0.8
188.10727	0.8
194.09639	1.0
196.07652	0.9
201.06639	0.9
202.10635	0.7
202.12357	1.2
203.08141	4.0
204.06557	1.7
211.12291	1.3
212.10710	2.3
213.13850	1.3
217.08748	0.7
219.10153	21.5
227.08179	0.5
229.13350	36.5
230.11693	0.8
257.12820	6.2
264.10403	0.8
275.13889	100.0
276.14194	1.2
280.09372	0.5
283.05933	1.5
292.09665	5.6
301.07095	1.0
303.08713	1.2
307.10864	0.9
313.07047	0.8
352.83981	0.5
353.59497	0.6
369.02853	0.8
371.14816	7.3
377.18637	2.0
400.32825	0.7
439.18686	1.0
469.52609	0.6
529.23395	0.6
540.80524	0.6
547.24341	1.3
573.13342	1.0
573.22357	18.7
574.22760	1.1
591.23438	15.4
592.23962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51160	0.3
51.87453	0.3
55.01865	1.3
65.03934	0.8
68.99799	1.9
69.24833	0.3
69.76167	0.4
69.76453	1.7
79.05478	0.4
83.04966	0.9
93.03403	0.8
95.04948	0.5
97.02878	0.6
107.04981	0.7
109.02898	0.5
111.04458	3.9
123.04434	11.3
127.03920	0.4
131.04900	0.6
135.04414	9.4
139.03905	100.0
140.04189	0.3
144.08086	1.1
145.06511	0.4
147.04391	1.8
151.03903	8.2
153.06987	1.6
157.06506	0.7
159.04393	0.9
161.05986	1.2
163.03908	10.9
163.05261	0.7
165.05499	1.3
169.06491	0.8
173.06003	0.9
175.03935	0.6
179.03389	4.5
181.06418	1.6
185.05986	1.3
187.03926	1.8
189.05467	1.4
191.03413	0.5
197.05981	0.9
199.07547	0.7
201.02422	0.3
201.05516	0.8
203.03412	1.0
207.06555	0.5
209.06055	1.2
213.05476	1.7
215.03510	0.8
217.04994	1.2
227.07034	1.2
229.05023	1.7
237.05472	1.2
241.04958	1.4
245.04454	2.7
255.06555	4.0
257.04501	1.3
259.06061	1.2
265.04892	0.5
269.04431	1.8
271.05994	1.6
273.07590	1.6
283.02936	0.8
283.06018	14.0
287.05515	4.5
289.07086	1.3
291.08624	3.8
299.05453	3.6
301.07074	13.4
303.08548	1.9
311.05530	0.9
421.09192	5.6
433.09378	0.3
439.10172	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	591.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43970	0.3
51.02366	0.4
51.51131	0.3
55.01876	1.9
57.73378	0.3
59.67374	0.3
65.03921	1.0
66.27808	0.3
67.01859	0.6
67.05499	0.7
68.99780	2.5
69.83551	2.0
71.19434	0.3
71.98240	0.4
75.08501	0.3
77.36464	0.4
79.05482	0.7
83.04961	0.8
93.03394	0.7
95.04977	0.4
97.02882	0.7
105.03432	0.4
107.04949	1.0
109.02848	1.0
111.04440	3.9
115.05434	0.5
119.04883	0.4
120.93905	0.3
121.02884	0.6
122.35008	0.4
123.00832	0.4
123.04423	11.8
128.06178	0.3
131.04955	0.9
131.69284	0.4
133.02826	0.5
133.06479	0.4
135.04414	9.7
135.05432	0.6
139.03897	100.0
140.04280	0.5
141.06982	0.8
143.04884	0.4
145.06577	0.5
147.04388	1.6
149.02330	0.6
149.05853	0.4
150.62337	0.3
151.03908	4.5
152.06256	0.7
153.06992	1.4
155.04861	0.3
157.06523	0.7
159.04404	1.3
161.02379	0.8
161.05994	1.3
161.78244	0.4
163.03899	10.1
163.05251	0.7
167.04935	0.6
169.06398	0.6
171.04381	0.5
171.08012	0.4
173.05980	1.1
175.03865	1.8
177.05469	0.6
179.03391	8.5
181.05083	0.6
181.06445	1.8
185.06013	1.5
187.03882	2.8
187.07211	0.4
189.05472	4.7
191.03342	0.9
193.05028	0.6
195.04407	0.5
197.06003	0.8
198.48227	0.5
199.03806	0.7
199.07620	0.8
201.05409	1.7
203.03398	2.7
209.06029	1.1
213.05452	2.7
215.03296	2.8
215.06964	0.8
217.04938	3.6
227.03392	0.5
227.06985	1.0
229.04906	2.5
231.06532	0.4
237.05426	1.0
241.04929	2.7
245.04448	9.0
255.06520	4.3
257.04446	3.7
259.05994	4.7
265.04971	1.0
269.04416	4.3
271.06024	5.2
273.07489	0.8
281.04492	0.7
283.06003	19.4
287.05478	12.6
291.08658	0.7
299.05493	8.7
301.07062	12.9
303.08701	0.5
311.05533	3.0
411.10532	1.9
421.09164	16.0
421.14893	0.8
433.09152	1.1
439.10202	5.5
451.10382	0.6
585.55658	0.4
597.63055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
54.90562	1.4
55.01861	1.7
55.05513	17.9
57.03437	10.3
57.07079	44.4
65.03917	3.1
65.91206	1.2
67.05507	41.9
69.07074	16.2
71.04996	2.0
71.08635	29.7
75.38675	1.3
78.08587	1.6
79.05074	2.5
79.05499	31.8
81.07063	47.4
83.08612	13.2
85.06537	2.1
85.10192	15.4
89.06004	2.0
91.04919	2.6
91.05486	50.1
93.06484	2.9
93.07052	39.4
95.04968	3.6
95.08612	41.9
97.06522	3.5
97.10176	6.2
99.08023	2.0
103.07550	1.5
105.07037	49.5
107.06141	1.5
107.08607	20.5
109.10166	16.6
111.08086	2.6
111.11747	1.9
115.05425	1.5
117.07019	14.6
119.08587	48.6
121.10155	15.2
123.11703	6.0
125.13309	1.7
128.06287	1.7
129.07027	8.8
130.07854	1.6
131.08578	17.0
133.10139	44.1
135.08102	1.9
135.11685	13.6
137.09659	2.1
137.13249	2.5
143.08524	8.6
145.10123	25.3
147.11700	44.3
149.09618	2.8
149.13284	12.0
157.10133	9.2
159.11705	17.7
161.13260	38.7
163.11224	2.0
163.14850	3.9
171.11697	11.7
173.13274	9.8
174.61102	1.7
175.11195	2.2
175.14822	20.0
185.13287	9.8
187.14890	3.0
189.12852	2.3
199.14828	7.2
203.14360	1.6
213.16382	3.0
217.19395	3.2
231.17416	1.9
231.21033	8.7
239.23685	4.6
241.19513	39.0
257.24899	2.7
259.20581	92.3
260.20966	1.7
277.21426	3.5
313.27371	100.0
315.23145	7.6
333.24252	50.2
333.28262	2.8
383.01031	1.5
497.43137	1.8
571.47626	7.4
589.48315	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01874	2.5
55.05275	1.8
55.05513	37.3
55.47379	2.4
57.03434	8.2
57.07079	14.3
60.30996	1.8
62.40128	2.0
65.80093	2.4
67.05506	88.4
68.53748	1.9
69.07072	44.7
71.04990	3.1
71.08636	5.8
71.21593	3.7
79.05495	47.1
79.05921	3.8
81.07059	100.0
83.05005	2.6
83.08615	31.1
85.06542	3.8
85.10213	3.0
91.05486	24.1
93.07047	64.6
95.08611	80.6
97.06558	4.9
97.10169	12.2
99.08102	3.1
105.07037	23.0
107.08591	40.2
109.06510	2.9
109.10156	36.6
111.08101	4.2
111.11768	6.3
115.53707	2.1
117.07043	8.5
119.08563	20.2
119.39877	2.1
121.10146	32.6
123.11713	18.7
131.08551	19.6
133.10155	19.5
135.11694	25.9
137.13260	6.6
139.11145	2.5
144.09489	2.2
145.10114	10.8
147.11716	12.5
149.13214	14.6
157.10110	3.0
159.11665	10.3
161.13316	6.7
163.14879	8.4
173.13274	10.7
175.14816	2.7
177.16380	2.9
187.14864	4.3
201.16475	3.2
219.21143	2.9
222.32687	2.2
233.22623	3.4
237.22179	2.5
241.19543	2.7
243.21111	5.4
247.20667	3.3
259.20508	3.3
261.22159	34.4
279.06506	2.2
299.31210	2.1
311.25809	40.0
311.29276	3.0
313.27509	3.1
317.24982	4.9
321.24576	3.0
325.27597	4.4
333.24438	2.3
335.25876	35.7
337.27307	2.5
375.19562	2.3
497.43829	6.6
515.44855	6.2
571.47174	29.2
589.48358	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.05514	17.2
57.03434	11.0
57.07078	41.3
63.38414	1.9
67.05187	3.1
67.05508	35.8
69.07066	18.8
69.45596	4.1
69.45986	15.8
71.04956	2.7
71.08636	27.4
79.05078	2.9
79.05499	40.8
81.06604	2.5
81.07057	46.0
83.08620	12.1
85.06515	2.3
85.10180	16.9
89.06003	2.4
91.05479	44.5
93.07041	38.7
95.08610	50.1
97.10173	7.0
99.08042	3.0
103.05466	2.5
105.07037	56.9
107.08601	23.4
109.10178	17.2
117.07032	11.8
119.08583	52.3
121.10156	17.5
123.11704	6.1
129.07004	8.4
131.08571	18.8
133.10144	45.8
135.11662	16.0
137.13249	2.7
143.08553	7.7
145.10156	16.1
147.11685	46.7
149.09613	2.5
149.13261	9.9
156.15242	2.3
157.10127	10.4
159.11726	15.1
161.13255	34.7
163.14767	3.6
171.11667	12.8
173.13266	10.8
175.14867	13.8
185.13228	10.3
187.14809	4.7
199.14766	5.5
227.86617	2.3
231.21075	10.6
239.23746	4.4
241.19524	38.6
251.28889	2.5
259.20578	95.1
277.21527	4.0
313.27371	100.0
315.23117	7.7
326.71320	2.8
333.24274	50.1
406.98727	2.2
571.47046	7.3
589.48785	13.2
614.50867	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	589.4827
Annotation	Tripoxyrollin
Peak:m/z	Relative Intensity
53.03954	4.4
55.05268	2.8
55.05512	29.2
57.03433	9.8
57.07085	12.5
65.03963	2.3
65.61736	2.0
67.05506	78.4
69.07069	36.2
69.56350	11.6
70.97595	2.0
71.05008	5.5
71.08632	6.5
79.05495	44.7
81.07061	86.0
81.07538	4.6
83.04985	2.8
83.08613	22.4
85.06557	3.8
85.10199	2.7
86.42882	2.3
91.05475	22.4
93.07043	53.7
95.08608	71.7
97.06554	7.1
97.10182	9.4
105.07037	21.8
107.08595	33.7
109.10156	32.3
111.08076	6.2
111.11710	2.5
117.07024	7.0
119.08586	17.9
121.10154	29.2
123.11700	12.6
125.09756	2.8
131.08577	11.7
133.10135	16.1
135.11697	20.7
137.13307	6.5
145.10117	10.2
147.11716	9.0
149.13278	13.1
151.14876	2.1
159.11745	9.0
161.13312	9.9
163.14915	5.6
173.13298	8.9
177.16400	3.5
187.14914	4.5
189.16301	2.0
203.17953	2.7
222.79434	2.4
227.15950	2.0
237.22293	3.7
243.21211	5.6
247.20615	2.4
259.20590	2.7
261.22134	32.1
277.21747	2.5
279.23294	4.1
308.29492	3.6
311.25821	41.1
313.27316	2.4
317.24796	4.8
325.27457	3.1
325.31915	2.4
335.25784	23.9
335.29379	2.5
371.92966	2.8
479.42154	2.4
497.43738	7.1
515.44574	6.8
571.47363	26.1
589.48352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22894	1.3
53.03942	2.3
55.01868	2.0
55.05512	23.5
57.03440	12.8
57.07076	55.2
59.05008	1.3
65.03940	2.0
67.05506	48.5
68.05833	1.7
69.06737	2.1
69.07072	22.9
70.07820	6.1
71.05001	3.1
71.08632	40.0
73.06599	1.5
79.05495	36.4
81.03401	2.4
81.07058	58.4
81.91547	1.4
83.04967	3.2
83.08623	19.0
85.06532	3.3
85.10178	19.2
89.06016	3.2
89.55950	1.5
91.04910	2.0
91.05482	46.4
93.07046	42.8
95.04968	4.2
95.08611	53.7
97.06517	2.6
97.10173	12.2
99.08078	4.4
105.07035	49.4
107.08590	25.2
109.06478	3.0
109.10155	25.4
111.11731	1.8
117.07001	11.6
119.06117	1.5
119.08585	47.3
121.06548	1.8
121.10142	24.3
123.11687	9.0
124.33500	1.4
125.09682	1.3
127.08680	4.0
129.06985	8.5
130.07800	1.9
131.08574	16.3
133.10141	36.6
135.11696	18.4
137.05946	2.9
137.13226	3.4
138.11452	1.6
139.11134	1.5
141.06601	3.7
143.08595	7.5
143.09598	1.3
145.10112	18.7
147.08102	1.8
147.11691	40.6
149.09631	3.1
149.13255	13.2
151.11211	2.2
157.10129	6.9
157.13458	1.7
159.11697	16.5
161.13264	33.0
163.11194	3.2
163.14844	4.8
168.98759	1.6
169.68945	1.3
171.11700	11.7
173.13249	12.2
175.14824	14.4
175.49908	1.6
177.05452	2.6
177.12831	2.6
179.14314	2.1
185.13278	9.3
187.14890	3.2
189.12823	2.5
189.16386	2.0
191.14410	1.3
199.14783	4.6
213.16397	3.5
215.17918	2.3
217.19502	2.7
231.20996	7.2
239.23741	5.3
241.19527	31.3
257.24765	2.0
259.20584	77.6
275.20102	2.2
277.18585	1.8
277.21515	9.0
289.17542	1.7
292.52301	1.4
313.27377	100.0
314.27634	1.7
315.23276	3.3
333.24234	42.6
351.25043	2.3
362.37982	1.3
497.43570	2.5
571.47485	8.9
589.48804	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	589.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01876	8.8
55.05508	35.0
57.03437	6.7
65.03931	3.4
67.05503	60.3
68.51689	1.7
69.03423	7.4
69.07069	25.9
70.46332	1.8
71.04974	2.4
79.05491	70.9
81.03415	12.8
81.07056	58.4
83.04985	12.4
83.08618	11.5
85.06525	2.3
91.05478	55.5
93.07040	55.3
93.62302	1.7
95.04966	23.8
95.08603	30.5
97.02893	6.8
97.06518	9.1
97.10165	21.4
99.08094	2.3
101.82969	1.9
105.04496	3.2
105.07027	41.0
107.04955	9.4
107.08587	23.2
109.06515	8.3
109.10135	9.7
111.04410	3.1
111.08039	3.8
115.05437	4.1
117.06316	2.4
117.07038	14.8
119.08583	30.5
121.06512	6.4
121.10153	7.9
123.04414	2.1
123.08044	16.1
123.11696	5.7
123.12513	1.7
125.09646	15.5
125.14327	1.6
128.06230	2.8
129.06979	12.9
130.07739	2.0
131.08580	15.1
131.65950	1.9
133.06483	5.5
133.10127	15.8
135.08075	6.4
135.11760	3.8
137.09627	3.8
141.06999	2.3
143.08588	10.2
144.09224	2.2
145.10121	14.4
147.08057	5.8
147.11681	26.0
149.09618	3.5
155.08545	2.2
157.10147	3.9
159.08084	2.0
159.11711	4.4
159.18407	1.8
161.09654	5.7
161.13222	9.7
163.11174	5.3
165.09158	1.9
169.12282	4.2
171.11687	18.5
173.09630	1.9
173.13258	2.4
175.11169	4.5
183.11787	2.7
185.13199	2.2
187.11391	1.9
187.13306	4.1
189.11223	8.3
189.12831	7.3
193.12097	2.0
203.14388	1.9
205.12224	2.3
207.13783	16.2
223.13240	12.2
227.12791	8.3
245.18993	3.4
249.14819	4.3
273.18494	23.3
275.20145	4.7
279.15921	4.4
281.17453	39.0
291.19537	100.0
329.86493	2.0
347.22116	3.3
365.23267	18.3
553.34692	2.8
571.36255	76.3
589.36023	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	589.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.00294	4.2
53.03953	6.3
55.01878	6.4
55.05511	23.2
57.03436	2.0
57.07049	2.0
59.04985	3.7
67.05506	30.2
68.33297	1.4
69.03419	8.5
69.07071	19.4
71.04978	4.3
71.49425	2.1
71.49796	2.1
75.09489	1.4
75.21702	1.5
79.05495	28.5
81.03420	7.0
81.06597	2.3
81.07059	35.6
81.48810	1.3
83.04962	5.9
83.08632	13.0
83.51540	1.3
84.08109	1.5
85.06518	1.7
86.09717	1.5
88.14764	1.1
91.05482	36.8
93.07046	27.8
95.04962	11.3
95.08613	11.1
95.33055	1.2
97.02898	13.1
97.06519	5.0
97.10164	9.8
99.00818	9.5
103.05459	3.2
105.07027	27.3
107.04951	10.6
107.08620	14.2
109.02891	10.9
109.06530	5.2
109.10180	9.8
111.04446	1.6
111.08076	4.0
115.03934	3.1
115.05446	2.3
117.07051	7.0
119.04941	1.7
119.08579	18.5
121.06507	7.4
121.10142	6.2
123.04418	3.1
123.08075	5.5
123.11681	1.7
125.09627	5.1
127.03911	1.7
128.06244	3.0
129.06970	3.9
130.08685	1.3
131.08603	8.9
133.06511	3.6
133.10136	29.4
135.08049	5.3
135.11690	4.0
137.05994	1.7
137.09631	2.6
139.07564	1.8
141.06969	2.4
143.08566	7.1
145.06511	1.8
145.10135	7.1
147.08072	7.2
147.11696	4.9
149.09644	2.7
149.13225	2.4
151.11192	6.6
157.10146	3.8
159.11693	3.8
161.09628	13.4
163.11208	3.6
165.09093	3.3
169.10153	3.6
171.08107	2.3
171.11673	2.7
175.11214	2.6
177.12793	2.8
179.10661	6.0
184.07359	2.0
189.09142	5.5
189.11211	2.9
193.12422	1.4
197.11763	1.9
199.11090	1.3
205.12323	1.9
207.10135	2.9
223.13263	16.9
225.11269	8.8
227.12709	3.2
245.18893	1.6
273.18497	18.0
281.13828	5.0
291.19559	100.0
292.19839	2.7
299.14926	4.2
329.20953	1.5
347.22159	4.5
365.23315	1.9
508.20233	1.5
514.71527	1.4
571.32416	2.8
589.33624	69.5
590.34534	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	588.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01180	0.3
55.05506	0.4
56.05040	2.1
57.95967	0.3
60.04511	0.3
60.33611	0.2
64.97903	0.2
69.07067	6.5
69.56985	1.7
70.06590	2.2
72.08152	0.7
74.06078	3.0
81.13638	0.2
84.04506	1.1
84.08156	0.7
85.02911	0.3
86.09704	100.0
87.10026	0.4
95.08591	0.4
97.02923	0.3
97.07603	0.3
98.06054	0.6
102.05543	0.5
116.07112	0.7
120.08112	0.5
126.05515	7.0
126.97501	0.3
127.03938	0.3
130.05035	0.9
144.06532	0.6
148.06047	3.0
153.06612	1.2
153.75970	0.3
157.13359	3.9
164.59828	0.3
169.09763	1.1
185.12898	1.0
197.09210	16.1
199.18073	1.4
215.10258	5.2
224.14818	0.3
227.17554	1.7
228.38576	0.3
228.78853	0.3
238.15448	0.5
243.71039	0.3
261.14450	6.6
282.18127	0.9
300.19168	14.5
310.17535	0.5
328.18674	25.1
329.18915	0.4
374.22937	0.6
441.27216	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	587.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03940	5.8
54.01670	0.9
54.75595	0.9
55.01877	9.2
55.05233	1.7
55.05510	25.7
57.03437	2.0
57.07078	37.1
59.04991	1.2
63.33886	1.0
65.03928	3.7
67.05503	54.9
69.03429	1.5
69.07068	41.9
69.42286	7.3
71.04988	3.0
71.08629	22.8
74.79062	0.9
77.03922	1.0
79.05493	38.3
81.03410	8.1
81.07055	69.5
83.04982	9.6
83.08621	16.1
85.06547	2.9
85.10181	12.7
91.05480	54.0
93.07044	39.5
93.07639	1.6
95.01330	11.8
95.04961	10.1
95.08604	57.2
97.06529	20.7
97.10148	8.6
99.04453	1.1
99.08095	1.3
103.05507	1.8
105.04523	2.0
105.07032	72.3
107.04954	18.1
107.08593	20.5
109.06496	6.2
109.10144	15.5
111.08101	3.7
111.11726	1.4
115.05486	1.3
117.07011	15.6
119.08579	40.6
121.06522	3.8
121.10146	10.1
123.04419	2.7
123.08082	4.6
123.11707	5.6
125.09618	1.6
127.07574	1.0
128.06215	1.8
129.07025	3.6
130.07816	1.7
131.08569	25.6
133.06458	1.0
133.09122	2.2
133.10132	45.1
135.08061	4.9
135.11673	7.9
137.06003	1.5
137.09621	3.9
137.13200	1.6
139.07570	1.1
141.06938	1.1
143.06018	1.0
143.08553	3.7
145.06511	2.3
145.10124	23.6
147.08131	1.4
147.11687	18.4
149.09586	7.6
149.13258	3.5
151.07555	1.8
151.11217	1.8
155.08575	1.9
157.10172	3.8
159.11705	16.4
161.09705	2.0
161.13295	5.9
163.11174	4.3
163.14816	1.4
165.09167	2.6
165.12733	1.1
169.10158	1.9
171.11751	3.6
173.13219	4.7
175.11238	1.6
177.12695	5.2
179.14285	18.8
183.11688	3.2
185.13216	1.3
187.11200	2.4
189.12721	1.3
191.14444	1.0
193.12167	1.1
197.13292	3.5
201.16425	1.2
205.12234	1.9
215.17963	1.1
219.13766	1.4
219.17465	7.9
223.13226	1.2
229.19507	2.4
233.15462	1.3
239.17979	3.1
239.23732	2.9
241.14417	1.8
247.20757	3.0
257.19028	12.2
259.20605	1.2
275.20056	100.0
293.21094	8.5
313.27533	4.4
331.22916	1.2
349.23773	2.4
587.46674	90.8
588.46832	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	587.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18347	2.4
55.05504	9.1
57.03433	5.1
57.07078	98.3
58.04219	16.5
59.04999	35.5
66.88450	2.6
67.05508	14.7
68.06259	2.0
69.07069	7.8
69.25891	17.9
71.04971	2.7
71.08631	100.0
72.05781	21.0
73.02924	11.5
73.06558	24.8
79.05489	7.5
81.03409	2.3
81.07063	16.5
82.07829	3.4
83.04982	2.1
83.08616	5.8
85.10184	89.1
87.04475	25.4
88.05240	5.6
89.06030	48.1
90.01917	70.4
91.05480	5.8
93.07057	8.2
95.04973	8.0
95.08607	12.9
97.06525	2.6
97.10162	6.9
99.11753	10.2
101.06013	4.6
101.43323	1.9
102.06786	2.5
103.07584	20.8
103.95406	2.3
105.07067	3.5
107.08603	5.3
109.10131	2.2
116.08344	5.9
117.09139	19.2
119.08571	4.8
121.10130	3.2
123.04424	8.8
129.07036	2.6
131.07040	5.5
131.08594	3.6
132.71863	2.1
133.08594	27.0
133.10155	2.4
135.11682	2.0
138.13988	4.6
140.15654	1.8
141.16360	6.1
145.10144	4.2
147.10162	4.8
149.11726	2.0
155.08478	2.4
161.11746	5.6
165.11252	2.5
168.83540	1.7
169.15918	7.5
175.09729	2.4
177.11272	9.2
178.07022	8.9
179.12794	3.3
180.12392	2.3
198.19835	3.8
199.20596	8.5
208.15346	5.1
209.13831	3.4
222.09773	15.7
222.17044	4.3
235.13313	9.2
243.23186	6.0
252.18025	2.5
266.12411	3.9
266.19583	4.8
267.17892	4.7
268.17606	3.0
282.18985	3.5
296.20654	8.2
297.18970	2.1
309.16888	4.2
312.20270	3.9
312.40991	1.9
324.23712	3.8
335.25656	6.1
348.31195	5.5
349.25812	2.2
372.18610	8.1
436.36298	18.6
452.36191	3.8
480.38855	2.7
496.38333	3.7
564.34790	2.1
569.38409	5.6
587.40729	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	587.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.5
55.01863	7.5
55.05515	27.1
57.03443	10.1
57.07066	4.9
65.03930	4.9
67.05505	85.7
69.03432	3.7
69.07067	17.9
69.90932	11.0
71.01348	7.6
71.04994	3.8
71.08597	3.6
75.48110	2.1
79.05492	64.2
81.03420	30.5
81.06598	4.3
81.07057	68.3
83.04977	7.7
83.08616	13.9
85.06544	2.7
87.04473	3.3
89.06020	4.1
91.04905	3.2
91.05475	40.3
93.07050	56.7
95.04971	63.0
95.08607	48.3
97.06525	6.9
97.10139	11.9
98.25047	2.0
103.05459	2.7
105.04526	3.2
105.07035	31.9
107.04955	14.2
107.08590	29.2
109.02855	13.6
109.06506	7.7
109.10146	18.8
111.08074	4.1
117.07026	15.7
119.08593	21.4
121.06532	6.9
121.10140	20.4
123.04434	69.0
123.08039	6.1
123.11668	3.4
125.05936	2.1
125.09654	6.7
129.07008	13.8
130.07776	3.6
131.04939	2.2
131.08559	20.5
133.06537	4.1
133.10106	9.1
135.04480	2.3
135.08029	7.0
135.11690	24.7
137.05960	5.0
139.03830	2.7
143.08556	9.1
145.06525	4.4
145.10123	21.0
147.08054	8.2
147.11711	13.0
149.09624	3.7
149.13246	5.1
153.09113	8.1
155.08557	3.5
157.10097	6.0
159.11661	4.7
161.09665	2.7
161.13232	6.2
163.11174	20.9
163.14949	2.6
171.11694	10.6
173.09625	11.5
173.13213	5.7
181.09995	2.8
182.54271	2.2
183.11763	3.1
187.49706	2.5
189.11259	2.9
189.12735	11.5
191.10707	6.7
193.10213	2.4
197.13237	3.0
199.11154	4.9
207.13835	16.9
217.12256	11.6
223.13263	3.3
227.12701	2.9
235.13284	90.9
238.25502	2.5
243.20865	2.7
253.14270	3.0
261.22086	9.1
275.19980	2.5
290.19492	2.3
291.15906	2.5
309.16959	51.6
335.25827	100.0
477.33612	3.7
495.34656	4.2
513.35364	3.3
569.38348	55.1
587.40112	12.6
589.38086	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01868	8.0
55.05513	24.4
57.03441	12.1
57.07065	4.5
59.04990	4.1
65.03929	6.3
67.05506	90.6
69.03431	4.4
69.07078	17.1
69.30689	16.2
71.01359	5.1
71.04982	3.8
71.08631	2.8
77.03933	2.5
79.05495	63.5
80.57340	2.4
81.03419	32.4
81.07054	67.0
81.07533	3.5
82.18607	2.0
83.04983	6.2
83.08614	13.4
91.05482	45.0
92.24218	2.4
93.07043	57.1
95.04971	66.4
95.08607	44.7
97.02898	2.1
97.06563	5.8
97.10165	9.5
103.05487	2.6
105.07031	31.0
107.04960	14.8
107.08589	34.5
109.02896	14.7
109.06515	7.1
109.10167	21.5
111.08093	5.9
117.07026	16.2
119.08578	21.3
121.06503	6.1
121.10155	20.5
123.04425	69.0
123.08041	3.6
123.11735	4.8
125.09653	5.5
128.06279	2.9
129.07019	11.2
131.08542	21.6
133.06526	2.6
133.10136	14.7
135.08054	8.5
135.11682	15.1
137.06015	3.6
137.09557	2.3
137.13275	2.1
143.08574	9.1
145.06529	5.7
145.10146	21.8
147.08054	9.5
147.11722	11.2
149.09575	4.7
149.13242	7.1
153.09087	6.1
155.08534	5.9
157.10159	6.6
159.08040	2.6
159.11699	6.5
160.16240	2.3
161.13263	7.2
163.11198	21.9
169.10092	2.7
171.11685	7.7
173.09650	8.2
173.13264	5.9
175.11115	2.8
175.14803	4.1
177.12793	3.5
177.16487	2.6
187.14833	3.4
188.54015	2.0
189.12695	13.9
191.10692	7.7
195.11710	2.3
196.89452	1.8
197.13319	2.4
199.11217	4.7
205.12170	3.0
207.10146	2.1
207.13770	18.4
217.12245	12.0
219.13786	2.7
235.13284	91.7
243.20900	2.8
253.14444	4.7
261.22067	9.7
265.18155	2.2
273.14673	2.3
291.16049	3.3
309.16971	54.7
335.25803	100.0
477.33511	3.7
495.34973	3.1
551.37134	4.7
569.38397	49.6
587.39661	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01859	8.1
55.05273	2.3
55.05513	30.4
57.03434	13.3
57.07057	4.9
58.38665	1.7
59.05010	1.8
65.03925	6.9
65.67829	1.9
67.05506	91.5
69.03434	2.6
69.07063	17.9
69.34905	16.3
71.01335	7.0
71.04967	5.2
71.08614	3.5
77.03915	2.3
79.05490	66.7
81.03416	36.5
81.07056	70.7
83.04965	6.8
83.08614	10.8
85.06544	3.3
87.47205	1.8
89.06012	2.7
91.05477	45.1
93.07043	56.0
95.04381	3.7
95.04971	73.3
95.08608	47.3
96.63332	2.2
97.06514	5.2
97.10147	8.8
101.90591	1.8
103.05451	3.5
105.06396	3.2
105.07030	35.1
107.04965	18.1
107.08598	31.7
109.02861	15.4
109.06504	7.7
109.10152	22.4
111.08064	5.4
115.05444	2.9
117.07024	18.1
119.08586	23.9
121.06499	8.4
121.10147	22.0
123.04431	81.2
123.08039	4.4
123.11689	6.6
123.65614	1.9
125.09628	8.1
127.03917	2.0
128.06232	4.2
129.06966	11.5
130.07721	2.0
131.04961	2.5
131.08577	19.2
133.06499	3.9
133.10117	13.4
135.08041	6.5
135.11691	21.3
137.05969	5.3
139.03960	2.3
139.11156	2.4
143.08575	10.6
145.06500	7.5
145.10133	25.1
145.36414	2.1
147.08018	7.1
147.11713	12.1
149.06013	2.0
149.09605	3.1
149.13268	6.3
153.09097	8.7
155.08556	3.8
157.10115	6.9
159.08005	2.4
159.11717	8.8
161.09645	2.9
161.13222	3.6
163.11183	22.4
165.12715	3.9
169.10022	3.1
171.08052	3.6
171.11699	9.4
173.09601	9.1
173.13217	3.3
177.12711	2.2
181.10284	2.4
187.14905	3.6
189.11211	3.7
189.12750	11.3
191.10669	5.2
195.11794	2.4
199.11157	4.9
207.11951	3.1
207.13777	16.9
211.14856	2.1
217.12221	13.9
227.12608	2.3
235.13287	100.0
243.21156	3.2
253.14346	6.4
261.22119	11.1
273.14902	3.3
309.13440	3.2
309.16980	60.0
311.20099	2.3
333.05859	1.9
335.25784	100.0
459.32376	3.9
477.33463	5.1
495.34909	3.8
542.73840	1.9
551.37140	3.8
567.61298	2.7
569.38336	62.1
587.39496	18.4
590.53339	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	586.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	1.9
61.69550	1.0
63.70411	0.9
66.31098	1.2
69.07066	1.5
70.02950	1.5
70.06594	1.4
70.43768	3.4
72.04519	5.2
73.02907	1.9
77.87869	1.0
85.02897	1.7
85.06541	3.5
86.09706	1.3
89.10196	1.0
90.05559	39.8
95.04973	2.1
96.42821	1.0
98.02391	6.0
100.03962	1.2
103.07584	2.2
105.07010	1.3
116.03452	6.5
118.06551	3.9
119.18307	0.9
121.51257	0.9
124.07592	4.8
142.08549	2.5
144.08061	3.0
145.39693	1.1
146.06027	12.6
147.06450	2.2
163.03923	4.1
166.08693	1.4
170.06023	1.1
184.09679	9.3
188.07054	18.7
189.07442	2.5
202.10760	14.6
205.06873	1.2
205.09718	5.3
206.10165	1.1
220.11801	100.0
221.12120	1.4
223.69423	1.0
252.41779	1.0
286.07489	1.4
404.33109	1.0
473.39673	1.1
538.42426	1.2
561.23419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.05515	20.9
57.03425	5.1
57.07069	11.2
64.23293	2.4
67.05505	66.2
69.07066	20.2
69.83546	11.9
70.06566	3.8
71.08639	4.9
71.60735	2.9
79.05492	37.7
81.07058	61.0
83.08618	12.0
85.06552	3.3
91.05479	35.3
93.07050	49.9
95.04954	5.6
95.08611	58.1
97.06545	3.8
97.10187	7.2
105.07031	33.1
107.08582	25.3
109.10161	25.1
111.08041	3.8
117.07012	10.5
119.08604	28.3
121.10142	25.8
123.11708	11.1
129.07054	6.8
131.08571	22.2
133.10112	27.5
135.08029	3.9
135.11700	19.0
137.13297	3.4
138.39375	2.9
143.08597	8.8
145.10126	18.1
147.11690	17.5
149.09697	3.6
149.13251	6.9
151.07558	8.0
157.10133	8.9
159.11703	18.0
161.13231	11.9
163.14906	3.5
166.82152	3.6
169.10135	6.3
171.11699	9.9
173.13251	13.6
175.14893	6.2
185.13251	5.3
187.14880	8.4
197.13197	4.5
199.14816	3.3
201.16478	4.7
206.50026	3.1
206.61356	2.7
213.16446	4.6
215.17836	4.3
231.17366	4.5
233.18974	3.1
243.21129	4.5
259.20410	4.6
261.22131	8.1
275.19934	4.9
307.22653	8.3
309.24295	5.5
311.29254	3.5
312.29675	4.9
327.26675	4.4
335.25772	8.4
337.27264	5.0
475.33676	2.9
475.39856	3.7
493.40228	8.6
511.41711	4.4
549.42004	2.9
562.82892	3.5
567.43958	15.7
584.55902	4.1
585.36090	5.7
585.44861	100.0
585.55969	18.4
586.46393	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	585.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07818	0.9
55.05500	2.2
55.38816	1.1
61.02934	5.7
67.05505	4.2
69.03419	1.1
69.59547	6.7
69.89640	0.9
70.06598	4.2
71.05010	1.4
73.02901	2.1
79.05490	3.9
81.03440	2.0
81.07045	4.8
84.04514	1.4
85.02896	3.7
88.86833	1.1
91.03964	3.2
91.05497	3.2
91.80450	1.2
93.07044	4.2
95.08612	2.7
97.02895	3.9
105.07027	2.5
107.08622	1.8
108.08173	1.5
109.10150	1.5
119.08527	1.6
121.10220	1.2
128.11525	1.2
131.08604	1.3
133.10098	1.9
134.09682	2.1
149.10748	1.4
171.48953	1.1
183.09196	2.4
183.30878	1.1
190.10863	1.3
197.10738	3.0
209.10759	8.6
210.11388	2.2
211.08701	1.7
211.12334	4.2
212.09526	2.4
212.13268	1.5
223.08685	1.4
223.12254	2.0
225.10304	4.7
226.10974	1.8
227.11807	4.3
229.13446	1.4
237.10229	6.6
238.11079	3.4
239.11827	6.2
240.12651	3.2
242.10463	1.7
253.13420	3.7
255.11481	1.8
255.14954	1.9
269.12888	4.0
271.10941	2.0
271.14493	8.9
273.12396	2.1
279.11417	1.7
281.12869	1.8
284.11575	1.6
285.12311	2.0
286.13153	3.9
287.13800	3.5
297.12314	38.5
299.13901	40.1
300.14581	1.5
301.15341	1.4
313.13080	1.3
314.13104	1.6
316.14386	3.4
328.14478	2.4
329.14990	1.2
330.16119	3.8
331.16901	4.0
332.17834	1.5
344.17590	13.8
345.18777	1.4
346.19257	1.7
360.20944	4.3
376.22763	1.1
390.18130	2.9
403.18939	1.7
404.19861	5.8
419.21982	2.4
437.19995	1.2
451.20975	1.4
462.20319	16.7
463.21106	6.2
464.22375	1.7
525.25024	1.3
567.26068	2.0
585.27039	100.0
586.27814	1.6
614.63983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35419	1.3
55.05508	5.2
57.03425	2.7
57.07079	100.0
58.04211	5.4
59.05006	45.4
65.03922	1.6
67.05490	5.6
69.07053	3.0
71.08634	72.6
71.50037	1.9
72.05770	2.8
73.02932	2.7
73.06543	2.6
75.23883	1.4
79.05482	3.1
81.07044	6.1
83.08604	4.3
85.06522	1.8
85.10187	54.9
86.07315	3.0
87.04454	5.3
87.08099	2.1
88.05264	1.6
89.06035	8.5
90.01917	19.1
91.05497	3.1
93.07044	6.7
95.08598	6.1
97.06512	2.6
97.10150	2.7
99.11734	11.9
101.09640	5.7
103.07599	2.8
105.07017	5.9
107.08576	4.6
109.10168	4.8
113.13281	4.3
117.09131	13.8
119.08589	8.3
121.10150	4.1
123.08101	1.5
123.89455	1.6
131.08566	5.1
133.08562	4.1
133.10103	4.4
135.90730	1.5
143.08621	3.6
144.08923	1.7
145.10114	4.3
147.11670	2.1
152.15570	2.3
155.17937	6.5
157.10152	3.5
159.11699	3.6
173.13165	2.2
175.14761	3.1
178.07156	2.4
183.11630	3.0
183.17447	4.2
193.14296	1.7
195.11581	1.6
209.13226	1.6
213.16475	1.8
213.22163	10.8
221.13329	1.6
221.15388	2.9
222.09776	4.0
222.15695	2.5
226.59674	1.8
240.10840	2.7
251.18454	2.4
271.26352	9.9
370.90530	1.7
371.44864	1.4
408.29343	1.6
434.38397	3.6
493.35721	2.7
505.35953	4.2
559.55609	2.2
585.42212	10.7
585.56177	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
57.03430	2.3
57.07076	100.0
59.05000	54.9
67.05507	3.9
69.03424	1.5
69.07068	5.0
69.42941	9.6
70.06599	1.9
70.90356	1.1
71.08632	98.0
74.57788	1.1
79.05485	4.1
81.07056	9.5
83.04959	1.4
83.08617	4.5
85.10182	92.3
87.04453	1.4
89.06032	29.3
91.05467	6.0
93.07050	9.2
95.08614	5.8
97.10155	2.5
98.21530	1.2
99.11723	11.0
101.09669	4.7
103.07598	2.1
105.07035	16.7
106.07315	1.2
107.04917	1.1
107.08610	6.6
108.08925	1.1
109.06509	1.2
109.10164	4.2
115.07623	1.8
117.06988	3.0
117.09132	19.0
119.08591	13.1
121.10129	7.3
123.08099	1.7
125.22832	1.2
129.06960	2.2
131.08598	4.8
133.08614	10.5
133.10094	9.6
135.11766	1.9
137.09616	1.5
141.16376	11.0
142.07809	1.6
143.08556	3.2
145.10133	8.3
147.10199	2.5
147.11699	3.9
151.07544	1.6
155.08519	1.7
157.10120	5.2
159.11697	7.1
161.13274	2.0
165.09085	2.4
169.10109	3.3
171.11754	3.3
173.13206	3.4
177.11226	7.5
183.11688	3.7
185.13188	1.6
188.15189	1.2
195.12186	4.3
197.13292	1.5
199.20572	22.4
209.13231	2.2
211.14761	1.3
221.13309	2.8
221.15372	2.9
222.15694	2.2
223.14769	2.4
225.16403	1.9
235.15302	3.0
239.17863	1.4
253.16451	5.2
257.24753	29.2
263.17990	1.4
274.39484	1.2
275.83704	1.3
300.29044	2.3
311.20572	3.2
311.29388	7.8
315.28961	1.5
390.20959	1.5
403.29984	1.7
418.62183	1.3
446.61493	1.3
541.40210	1.7
584.41565	5.1
584.55951	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22814	2.6
51.27240	2.5
53.03946	4.1
53.05647	1.8
55.05503	8.0
57.07087	13.0
59.04993	3.9
65.03958	3.2
67.05516	14.9
69.03436	4.5
69.07052	9.8
69.16841	5.0
69.17242	20.1
71.08638	5.9
77.03931	2.7
79.05497	22.2
81.07065	24.6
83.04984	2.7
83.08601	4.4
85.06536	7.1
85.10184	3.4
89.06044	7.3
91.05485	32.2
93.07042	39.6
95.04960	7.9
95.08618	23.5
97.06538	5.8
105.07036	59.7
107.08604	36.8
109.06518	8.5
109.10177	13.8
115.05453	3.5
117.07014	19.8
119.08585	69.2
120.09399	4.3
121.06507	4.0
121.10133	23.3
123.08076	11.7
123.11649	3.5
125.06008	4.8
128.06227	9.5
129.07013	16.2
130.07788	3.9
131.08595	32.8
133.08548	3.2
133.10130	37.4
135.08067	12.1
135.11731	13.1
137.05946	2.6
137.09601	9.4
138.80476	2.5
141.07011	6.9
142.07777	16.3
143.08578	34.3
144.09348	8.5
145.10127	54.5
147.08052	18.5
147.11673	15.7
149.09608	10.3
149.13261	3.2
151.07547	6.3
154.07826	3.2
155.08607	14.2
156.09352	15.4
157.08914	1.7
157.10136	50.1
158.10902	9.3
159.08028	6.6
159.11690	29.2
161.09633	7.8
161.13303	7.0
163.11186	8.2
165.06955	3.4
165.09129	31.5
166.07944	2.6
167.08556	7.4
168.09396	5.6
169.10158	20.7
170.10924	9.2
171.11713	27.2
172.12511	7.9
173.09637	5.0
173.13278	16.2
175.11188	14.8
175.14835	10.4
177.12799	6.4
179.08620	3.8
180.09351	4.3
181.10097	11.5
181.12177	9.6
182.11014	6.0
183.11681	19.9
184.12527	3.9
185.09618	4.6
185.13254	15.0
186.14029	2.6
187.11165	5.1
187.14792	9.5
189.12776	8.5
190.13539	6.5
191.14392	2.9
193.10114	5.9
193.12259	7.2
194.10902	5.6
195.11720	16.5
195.13365	2.3
196.12407	4.6
197.13252	14.6
199.11188	5.6
199.14864	5.3
201.12761	4.9
201.16333	4.5
203.14349	18.5
205.10207	4.4
207.11688	8.1
207.13805	7.2
208.12581	4.7
208.14558	5.9
209.13312	13.7
211.11252	4.1
211.14812	8.9
213.12735	3.5
213.16487	3.5
217.15840	3.4
219.13835	2.8
220.12253	2.8
221.13275	6.9
221.15361	58.1
222.13963	3.2
223.14749	12.5
224.15442	2.9
225.16418	4.9
227.14352	2.4
233.13383	4.1
234.16151	10.3
235.14803	7.5
237.12802	4.9
237.16319	4.5
239.17950	3.1
241.15889	4.3
243.17462	2.8
245.15453	3.3
247.16907	8.0
249.16396	5.8
251.14339	3.9
251.17990	3.8
255.17455	2.7
263.18018	4.8
269.15543	3.3
271.17102	5.1
281.18973	3.2
291.17465	3.8
296.21249	3.2
299.20050	9.4
305.18884	2.9
309.18546	2.7
311.29324	4.2
312.24524	3.3
313.21729	3.7
319.20584	3.4
322.29510	2.6
325.21613	7.1
337.21539	9.2
352.24008	70.3
365.24664	14.1
398.28152	7.9
404.30826	7.5
412.29712	20.7
425.30338	6.7
438.31250	10.9
489.33383	9.0
491.35159	11.0
492.35602	5.5
504.35986	100.0
569.40027	3.8
584.41998	20.7
584.56177	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	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.05502	8.7
55.47609	2.5
57.07079	16.5
59.04987	6.8
67.05498	16.1
67.60764	2.5
68.12195	3.2
69.03435	6.7
69.07059	10.7
69.51713	3.3
70.06600	7.8
70.24571	5.4
70.24940	5.4
71.04986	2.8
71.08617	5.7
79.05486	20.0
80.06284	5.2
81.03421	9.2
81.07047	41.3
83.04976	5.4
83.08603	8.4
83.50695	3.6
85.06535	5.8
85.10183	4.9
89.06023	22.5
91.05479	36.6
93.07037	38.1
94.07915	3.3
95.04956	16.0
95.08618	30.9
97.06541	3.3
97.86493	2.6
102.09145	3.7
105.07030	70.6
105.07700	6.3
106.07833	4.7
107.08589	32.2
109.06506	12.0
109.10170	15.0
111.08080	3.5
111.11691	3.0
115.05480	5.8
116.43073	2.7
117.07017	17.1
119.08582	82.3
121.06498	7.0
121.10156	24.7
123.08052	23.7
123.11684	3.4
125.05992	4.3
128.06241	8.5
129.07001	16.8
130.07800	8.7
131.08563	44.0
132.09335	8.1
133.08598	12.5
133.10126	36.2
135.08044	13.8
135.11697	8.8
137.09604	9.8
141.07008	9.5
142.07823	17.5
143.08557	39.9
144.09314	13.7
145.10118	65.7
147.08038	18.6
147.11700	12.6
149.09612	9.8
151.07538	9.2
155.08566	17.5
156.09322	14.3
157.10130	51.9
158.10901	13.3
159.08034	5.4
159.11682	33.3
161.09662	9.1
163.11197	10.6
165.07004	3.2
165.09138	35.6
167.08507	6.9
168.09305	4.4
169.10123	16.1
170.10893	7.2
171.11702	23.7
172.12482	7.7
173.09660	4.9
173.13199	13.1
175.11188	18.0
175.14870	6.1
177.11224	7.2
177.12680	3.7
179.08559	6.6
180.09369	4.7
181.10141	12.3
181.12224	9.3
182.10921	5.9
183.11681	20.0
184.12463	4.1
185.13313	16.5
187.11124	6.4
187.14874	7.4
189.12747	5.9
190.13571	7.1
191.14290	3.5
193.10156	7.7
193.12297	12.3
194.10851	6.2
195.11678	16.4
195.13412	2.5
196.12402	5.0
197.13196	19.0
198.13959	3.2
199.11136	3.4
199.14929	4.4
201.12807	4.4
203.14342	18.5
207.11702	7.7
207.13814	8.6
208.12636	2.9
208.14632	8.0
209.13269	12.3
211.11281	4.4
211.13240	7.4
211.14914	9.0
213.12767	6.1
215.14426	3.8
219.11710	5.1
219.13766	4.4
220.12527	3.8
221.13248	7.1
221.15334	55.8
223.14799	7.2
225.16405	3.2
229.15910	3.9
234.16159	6.9
235.14859	5.7
237.12740	6.9
237.16273	3.3
239.18008	3.7
247.14613	3.8
247.16971	9.6
249.16432	3.3
261.16150	2.8
273.18695	3.2
274.19318	9.9
283.20587	3.4
283.26352	2.8
285.16827	6.5
286.19202	4.7
287.19983	8.7
299.20123	6.9
300.20810	7.4
300.28839	4.8
311.29587	7.4
325.21548	14.7
337.21701	11.4
339.29068	4.6
352.23962	85.1
365.24847	15.1
366.25494	10.6
371.22543	6.1
385.19922	3.0
404.30890	5.0
412.29617	8.3
425.30667	7.2
431.28775	3.9
438.31329	9.5
475.17596	3.3
490.33786	3.4
491.35434	13.4
492.35614	5.0
504.36002	100.0
547.54034	3.0
549.41473	9.8
566.41284	3.2
584.41791	16.1
584.56207	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.02324	2.2
55.05514	18.3
57.07075	52.9
57.54764	2.7
59.05003	18.8
61.26640	2.1
65.03951	5.4
67.05501	26.1
69.03431	5.8
69.07064	13.9
69.45630	9.5
69.46059	9.8
70.06559	3.6
71.08630	41.6
73.02907	17.6
75.19221	2.3
78.04705	2.5
79.05493	30.8
80.06279	5.3
81.07057	57.3
83.04996	4.0
83.08623	10.1
85.06554	6.7
85.10188	29.1
87.04501	5.4
88.07643	3.1
89.06019	13.7
91.05476	66.7
92.05786	3.4
93.07039	71.8
94.07351	4.6
95.04961	38.2
95.08604	36.9
96.08918	3.8
97.06522	5.9
97.10163	3.5
98.21537	2.6
99.11668	2.6
99.43856	2.5
102.09247	2.7
103.03960	7.0
103.05435	5.5
105.07030	100.0
106.07323	4.7
107.08599	44.2
108.08884	4.3
109.06509	8.5
109.10159	21.2
110.10445	3.2
115.05466	8.6
116.06231	5.1
117.07005	25.9
119.08572	91.1
120.08830	2.5
120.09415	2.6
121.06498	5.7
121.10157	37.5
122.10416	3.0
123.08080	22.8
123.11716	7.2
125.09616	2.8
128.06216	18.9
129.07011	25.1
130.07770	8.7
130.18893	2.7
130.37402	2.4
131.08572	52.6
132.09320	9.8
133.06432	5.2
133.08568	6.7
133.10123	43.4
134.10872	2.4
135.08044	8.5
135.11693	16.9
137.09613	6.2
138.10402	9.5
141.07019	12.7
142.07776	24.2
143.08562	67.2
144.09256	10.9
145.10120	79.3
146.10539	7.7
147.08083	12.8
147.11694	26.7
149.09633	9.9
151.11096	4.3
153.06981	6.9
154.07756	4.3
155.08583	30.9
155.17975	3.4
156.09337	18.8
157.10123	58.7
158.10771	8.7
159.08032	5.9
159.11676	34.4
160.08783	3.1
160.12175	4.0
161.09624	7.9
161.13287	10.4
163.11234	4.5
165.06999	9.3
165.09134	4.6
166.07782	5.4
167.08578	16.4
167.10706	8.3
168.09317	6.2
169.10123	37.5
170.10832	8.8
171.11688	32.2
172.12311	5.0
173.13243	27.6
174.13641	3.0
175.11148	6.1
175.14832	4.2
177.11226	4.6
178.07718	3.7
179.08556	14.0
180.09294	11.3
181.10109	24.7
182.10860	12.7
183.11688	37.2
184.12267	7.0
185.13274	11.7
187.11168	4.8
187.14873	6.6
189.12769	7.7
191.14288	9.6
192.09357	6.1
193.10152	14.6
193.11678	2.4
194.10847	9.0
195.11688	29.0
196.12393	9.2
197.13261	24.5
198.13828	5.0
199.11127	4.4
199.14809	14.4
201.12820	3.7
203.14314	6.1
205.10213	5.9
206.10835	6.4
207.11697	21.9
207.13638	5.2
208.12454	9.6
209.13246	22.8
210.13875	5.6
211.11270	2.9
211.14816	18.2
215.14430	4.4
217.10193	5.2
217.15868	4.1
219.11607	7.2
220.12480	4.4
221.13251	12.8
221.15398	9.5
222.13768	5.3
222.15762	4.9
223.14705	17.1
224.15398	4.1
225.16275	14.3
227.14310	3.8
229.10106	3.2
229.15710	3.0
231.11746	5.9
232.12338	5.8
233.13213	9.0
233.15332	4.0
235.14822	11.0
236.15471	3.3
237.16412	9.4
239.18036	4.8
245.13197	7.5
246.14099	3.6
247.14786	8.5
247.17104	3.0
249.16321	8.4
250.17108	4.4
251.14125	3.4
251.17982	7.5
253.19298	3.1
257.19122	5.4
259.14771	3.7
261.16425	9.2
262.16882	2.7
263.17972	8.0
265.19510	4.3
267.17517	3.3
273.16412	5.9
275.17999	6.1
277.19431	4.1
283.20459	4.2
283.26233	3.4
295.20502	3.6
300.29034	7.9
301.19354	3.1
303.20871	3.2
305.22705	2.9
311.29474	8.4
316.54681	2.9
321.22189	3.1
323.23676	11.5
331.24152	3.1
335.23706	3.6
337.25198	5.6
341.12747	2.7
347.23596	3.6
354.25616	5.0
415.29916	3.4
428.30792	3.8
446.31693	4.6
492.35504	8.5
566.40521	8.5
584.42096	36.1
584.56055	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	584.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.01866	0.2
55.05507	0.4
57.03433	1.2
67.05486	0.2
69.03419	0.5
69.15219	1.7
69.15648	0.7
70.06593	1.3
71.04996	8.2
72.08128	0.4
73.02912	0.5
78.64868	0.2
79.05470	0.4
83.04969	1.0
84.08141	0.5
85.02907	8.7
86.09692	0.8
91.05482	1.1
94.02193	0.2
95.04952	0.4
97.02882	0.4
98.21507	0.6
99.04436	0.6
103.05447	0.3
104.10754	0.3
105.07036	0.8
107.04961	1.4
109.02895	0.3
111.04418	0.6
114.05480	0.3
115.05447	1.5
116.06290	0.3
117.05492	0.4
117.07017	1.1
117.67856	0.2
120.08094	0.5
127.03919	0.2
128.06198	1.7
129.05533	1.3
129.07030	4.2
129.10242	0.4
130.07726	0.3
131.04941	0.4
131.08568	5.9
131.93396	0.2
133.06491	0.7
133.10126	0.7
136.06184	0.5
136.07512	0.4
137.05951	0.5
141.06992	1.8
142.07816	0.3
143.08574	1.5
144.05717	1.9
145.06497	2.6
145.10095	0.5
146.07248	0.7
147.04407	0.4
147.06474	0.6
147.08009	0.3
149.00571	0.4
153.01822	1.2
153.06984	0.8
155.06010	0.4
155.08565	0.5
157.06485	2.7
158.07281	1.4
159.08058	9.3
161.05980	0.7
161.09598	2.8
163.06064	1.5
163.07338	0.4
167.07036	0.9
169.06459	0.8
169.07645	0.8
170.07243	1.8
171.08038	2.1
172.05194	0.6
173.06032	1.7
173.09628	1.3
174.06737	1.0
175.07573	0.8
176.01733	0.3
177.05486	0.3
178.06262	0.5
181.08540	0.7
182.15468	0.3
184.07352	0.3
185.06004	0.3
186.06769	0.4
187.07539	8.1
188.08194	0.3
189.05492	0.6
189.09100	4.3
190.06369	0.4
191.07036	0.6
192.07787	0.6
193.08620	0.5
196.13313	0.3
198.06718	0.5
199.07536	1.2
201.05602	0.3
201.09122	2.5
203.07025	1.0
204.07820	4.6
205.08681	1.2
206.09424	0.5
207.10220	0.7
208.04301	0.3
209.02719	0.4
216.07799	1.4
217.08553	0.9
218.09419	0.6
219.10182	3.1
221.08141	0.3
221.11723	2.2
231.10167	3.0
233.11723	8.8
234.08852	0.6
237.11223	0.7
247.09743	0.3
249.11221	100.0
250.11667	1.1
251.12773	5.2
254.04881	1.9
261.11108	0.4
267.12259	3.1
349.30457	0.3
359.14987	0.7
377.16019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
53.03948	2.7
53.83274	1.1
55.01874	1.4
55.05513	12.0
57.07080	9.0
57.19232	1.1
59.05000	2.9
65.03938	2.8
67.05508	16.9
67.91692	1.1
69.03421	5.8
69.07063	11.6
79.05489	16.1
81.07063	27.5
83.04988	5.1
83.08627	6.5
85.02855	1.3
85.06551	5.5
91.05482	30.0
93.07048	33.7
95.04980	9.1
95.08606	23.5
97.06531	3.7
103.05466	2.4
105.04546	1.5
105.07030	45.2
107.08592	34.0
107.09307	1.8
109.06516	7.3
109.10162	16.6
111.08115	2.3
115.05489	4.3
116.06258	1.7
117.07027	11.9
119.08581	62.2
121.06503	4.7
121.10144	25.7
123.08066	10.4
123.11756	3.4
125.06014	3.7
128.06241	6.8
129.07027	10.2
130.07788	7.4
131.08568	25.0
132.09317	1.2
133.06512	2.1
133.07719	1.3
133.10129	35.9
134.10936	1.4
135.08034	7.9
135.11685	13.1
137.09625	9.3
139.07568	2.4
139.11163	2.9
141.07010	4.7
142.07791	12.6
143.08566	20.8
144.09358	5.3
145.06438	1.7
145.10126	36.9
147.08044	11.7
147.11696	12.1
149.09595	7.5
149.13307	1.5
151.07539	11.4
151.11221	2.0
153.07019	2.4
153.09155	1.6
154.07822	2.2
155.08556	11.2
155.10651	1.8
156.09363	10.2
157.10139	26.1
158.10938	3.8
159.08049	2.9
159.11702	24.7
160.08890	1.3
160.12343	1.4
161.09641	4.4
161.13258	7.0
163.11165	5.6
165.07028	3.6
165.09117	18.6
166.07750	1.8
167.08549	6.4
167.10736	1.8
168.09373	2.9
169.10118	18.0
170.10977	4.6
171.11671	18.6
172.12492	2.3
173.09641	4.7
173.13275	12.9
175.11258	3.0
175.14795	9.0
176.08817	1.1
177.09155	2.6
179.08504	6.4
180.09329	3.0
181.10104	9.5
181.12260	3.6
182.10979	4.9
183.11681	16.6
184.12407	1.2
185.09579	3.3
185.13220	8.1
187.11209	2.0
187.14737	7.6
189.12790	4.9
191.14369	3.4
193.10127	5.7
193.11919	1.4
194.10982	4.9
195.11742	12.0
195.13602	2.2
196.12473	4.4
197.13260	12.5
199.11259	3.5
199.14957	5.6
201.12798	2.7
201.16411	6.4
203.14310	9.2
205.10207	2.3
206.10936	2.6
207.11728	7.8
207.13831	6.3
208.12520	3.6
209.13297	15.2
209.15195	1.9
211.11215	3.1
211.14784	7.6
213.12820	1.8
213.16412	2.0
215.14401	2.1
217.15976	2.7
219.11751	2.6
219.17477	2.3
221.13283	5.5
221.15318	33.5
222.14066	2.0
223.14862	6.5
225.12753	2.2
225.16495	4.8
227.14433	2.2
231.11826	1.6
233.13229	4.7
233.15427	2.9
234.14021	1.7
235.14888	5.3
237.12849	2.4
237.16447	2.7
239.14290	1.7
239.17946	2.4
245.13332	1.6
246.14095	1.4
247.14856	2.8
247.17142	2.5
249.16487	3.5
251.17937	2.2
253.15921	1.3
260.15948	1.3
261.16348	2.9
263.18021	2.6
265.19531	2.9
267.17514	1.3
271.14658	1.7
273.16351	1.6
275.17874	2.6
277.19479	1.7
281.18869	2.2
283.20581	5.4
285.18741	2.5
285.21973	1.4
287.20120	3.9
293.19080	1.4
297.22455	2.0
299.20193	2.9
307.20627	1.4
309.22229	1.6
347.23669	1.3
364.24219	2.4
375.26773	2.9
377.24762	1.6
385.27560	2.2
397.75061	1.1
399.29022	4.1
425.30389	4.6
477.33801	2.6
491.35226	100.0
504.36160	2.6
514.20276	1.4
565.40466	3.7
583.41486	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49640	2.0
53.03937	5.3
55.05514	21.0
55.16943	2.4
57.07072	21.1
57.84087	2.4
59.04989	6.4
59.65223	2.1
65.03956	5.9
67.05505	28.8
69.03424	8.6
69.07062	23.4
71.08640	6.6
79.05495	24.8
81.07055	34.3
83.04974	7.9
83.08615	9.5
85.06556	6.7
85.10169	3.6
89.06049	3.6
90.13309	2.2
91.05481	52.9
93.07043	60.5
95.04977	12.5
95.08607	31.9
97.06550	6.1
103.05456	5.5
104.13233	2.7
105.04485	2.9
105.07029	82.7
105.07696	4.7
107.03055	2.4
107.08591	49.0
109.06544	7.6
109.10159	26.6
111.08101	5.4
115.05466	5.4
116.06219	2.5
117.07019	21.6
119.08585	100.0
121.06520	7.0
121.10145	46.8
123.08022	14.9
123.11716	6.1
125.06013	6.3
126.55121	2.5
128.06223	13.9
129.07013	22.3
130.07799	9.3
131.08565	44.5
133.06563	2.8
133.08594	3.7
133.10130	44.3
135.08061	11.3
135.11685	17.1
137.09650	13.4
139.11172	2.6
141.06996	14.8
142.07770	25.4
143.08563	55.0
144.09354	8.2
145.06519	2.4
145.10124	68.2
146.10881	3.0
147.08022	14.4
147.11707	17.8
149.09639	9.0
151.07539	14.5
153.07022	8.1
154.07761	5.7
155.08551	24.3
156.09341	21.1
157.10135	71.1
158.10907	12.4
159.08092	5.7
159.11697	26.9
161.09644	8.7
161.13277	9.3
163.11188	8.3
165.07018	11.0
165.09128	32.0
166.07835	4.6
167.08548	13.1
167.10655	15.8
168.09279	6.3
169.10127	32.8
170.10938	10.8
171.11682	32.7
172.12457	3.8
173.09596	3.3
173.13287	26.6
175.11215	3.6
175.14856	10.2
179.08563	19.0
180.09372	4.8
181.10109	19.8
181.12254	8.9
182.10907	11.4
183.11688	32.8
184.12434	4.8
185.13300	21.5
187.11246	2.8
187.14891	7.2
189.12746	5.2
191.08635	3.7
191.14340	8.3
192.09319	7.2
193.10164	20.3
194.10966	14.7
195.11673	27.5
196.12511	6.8
197.13258	19.5
198.13846	4.2
199.14813	19.2
201.16469	4.3
203.14328	11.6
205.10204	6.9
206.10966	8.6
207.11728	22.5
207.13824	8.0
208.12497	8.3
209.13249	30.8
209.15126	4.0
210.14030	3.6
211.14862	16.0
213.12872	3.4
213.16475	4.5
215.14479	3.4
217.10178	6.0
217.15938	10.7
218.10825	3.7
219.11673	11.8
220.12537	8.5
221.13274	17.1
221.15442	51.8
222.14003	8.0
223.14767	15.3
224.15387	2.7
225.16397	7.3
227.14406	3.9
229.15961	2.7
231.11719	9.3
231.17381	2.6
232.12465	6.6
233.13232	13.2
233.15260	4.6
234.14076	4.4
235.14864	11.2
236.15553	2.7
237.12698	3.8
237.16470	10.0
239.14246	2.7
239.18111	2.8
244.12431	5.0
245.13255	9.7
246.14139	4.9
247.14871	9.3
247.17166	4.6
248.15933	3.4
249.16391	13.5
250.17279	4.1
251.17986	5.7
252.81789	2.8
253.19518	2.4
257.13358	5.1
257.19122	8.7
258.13803	2.9
259.14850	7.3
260.15570	6.0
261.16455	12.3
263.18097	7.6
265.19553	12.4
269.19128	4.7
272.15607	2.8
273.16428	4.5
275.17871	15.2
277.19662	4.8
281.19061	2.3
283.20648	18.7
285.16220	3.3
287.20383	4.6
288.18625	2.8
289.19534	7.5
296.59210	2.5
300.21030	4.2
301.19345	3.6
303.20886	2.9
307.20493	3.2
309.22110	3.3
315.21075	2.9
331.24191	6.1
349.25421	7.3
361.24997	2.7
368.22650	2.6
375.26974	5.6
403.29926	3.9
491.35065	6.5
565.40240	17.2
583.41473	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.05508	15.3
57.07082	14.2
59.04993	5.3
62.05965	2.5
65.03947	6.3
67.05508	27.5
69.03427	8.3
69.07076	25.7
69.45905	19.4
77.03899	2.5
79.05499	29.9
81.07060	40.1
83.04984	8.2
83.08629	10.0
85.06546	10.3
91.05479	49.4
93.07050	60.3
95.04962	11.1
95.08620	41.1
97.06547	4.6
103.05465	5.7
105.07034	82.4
106.24433	3.7
107.08611	49.9
109.06535	7.5
109.10156	24.7
115.05455	3.9
117.07030	21.5
119.08582	91.0
121.06515	7.4
121.10149	49.9
123.08068	15.7
123.11691	3.1
125.06007	3.5
128.06235	15.4
129.06998	18.9
130.07791	8.1
131.08574	44.9
133.10127	42.7
134.07353	2.6
135.08099	13.0
135.11674	15.6
137.09642	11.3
141.06985	8.9
141.20131	2.7
142.07784	29.1
143.08556	54.2
144.09335	9.6
145.10124	57.1
147.08051	15.2
147.11650	14.7
149.09637	11.8
151.07541	19.3
153.06993	6.0
153.09116	3.3
154.07753	4.1
155.08600	21.9
156.09366	22.7
157.10126	60.7
158.10918	10.4
159.08154	5.9
159.11682	30.8
161.09679	7.0
161.13280	11.0
163.11182	7.5
165.06985	6.1
165.09123	29.3
167.08578	10.6
167.10748	9.1
168.09294	13.9
169.10133	30.8
170.10938	9.3
171.11699	37.7
173.09610	4.6
173.13281	27.6
175.11136	5.1
175.14857	8.2
179.08516	21.2
180.09293	6.2
181.10123	17.6
181.12253	7.7
182.10933	9.5
183.11705	36.3
184.12488	6.2
185.13220	21.0
187.11281	3.2
187.14803	8.6
189.12744	8.2
191.08693	3.0
191.14371	8.2
192.09338	4.3
193.10182	14.6
194.10878	12.6
195.11702	29.3
196.12485	6.6
197.13229	19.1
198.14082	3.4
199.11151	3.9
199.14798	19.7
201.16446	5.3
203.08485	4.8
203.14342	15.0
204.09473	4.2
205.10144	5.8
206.10928	10.3
207.11745	22.1
207.13799	7.1
208.12447	10.8
209.13261	32.3
209.15160	4.0
210.14082	3.6
211.14824	10.5
213.16467	4.8
215.14136	3.9
217.10255	4.4
217.15857	14.0
218.10953	7.7
219.11714	7.5
220.12566	3.4
221.13264	18.2
221.15414	68.2
222.14049	6.0
223.14893	17.7
225.12891	3.2
225.16397	7.6
227.14270	3.4
230.10872	3.8
231.11711	9.1
231.17538	3.4
232.12503	6.8
233.13257	11.0
233.15395	5.8
234.14178	4.0
235.14832	12.7
237.16472	7.5
239.18066	6.9
241.15845	2.8
245.13324	10.4
246.14070	7.5
247.14798	10.5
247.17029	3.6
248.15685	2.7
249.16443	9.5
250.17226	3.4
251.14633	2.5
251.17877	5.2
257.13113	2.7
257.18906	6.5
258.14053	3.5
259.14813	4.5
260.15552	5.7
261.16479	10.6
263.18030	5.8
265.19577	8.1
269.19116	4.3
271.14737	2.9
273.16403	7.2
275.17917	13.4
276.44031	2.5
277.19547	5.0
279.17322	3.0
281.19196	2.9
282.20023	2.6
283.20453	18.7
287.17691	3.6
289.19513	4.9
291.17816	3.0
295.20602	3.6
297.22272	3.6
300.20740	2.9
313.21603	3.4
315.21027	3.0
331.24231	6.1
335.23660	3.3
347.23669	3.6
349.25266	8.2
357.26245	3.0
375.26871	5.7
403.30066	6.0
452.09140	2.9
491.35297	7.6
503.34961	3.8
547.39288	4.9
565.40405	21.1
583.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05511	14.3
55.65730	1.8
57.07067	11.0
59.04992	5.2
65.03928	4.4
67.05501	20.6
69.03425	7.3
69.07074	17.0
69.21877	15.5
71.08611	1.8
71.54201	1.6
72.30326	1.6
77.03926	1.7
79.05488	26.3
81.07053	29.3
83.04969	8.1
83.08604	8.5
85.06544	6.2
85.10181	2.3
91.04903	2.6
91.05479	45.0
93.07045	50.0
95.04971	8.9
95.08604	37.4
97.06538	4.1
103.05457	4.8
105.04542	2.9
105.07032	69.5
107.08597	41.2
109.06521	9.5
109.10163	18.9
111.08098	4.4
115.05472	6.1
116.06204	2.6
117.07011	15.9
119.08583	80.1
121.06499	6.7
121.10148	42.7
123.08077	19.0
123.11728	5.8
125.06017	2.7
125.09647	2.3
128.06198	13.4
129.06985	17.5
130.07751	7.8
131.08563	33.0
133.06505	3.2
133.10129	38.3
135.08070	8.5
135.11676	13.8
137.09610	12.8
141.07008	8.5
142.07768	25.3
143.08571	38.5
143.09703	1.9
144.09291	8.2
145.10127	50.3
147.08054	18.6
147.11702	14.9
149.09647	7.1
149.13289	3.4
151.07558	16.1
153.07018	5.1
153.09105	2.1
154.07803	4.4
155.08543	19.0
156.09351	17.3
157.10126	46.5
158.10869	8.2
159.08047	4.3
159.11682	28.4
159.12886	2.4
160.12495	1.8
161.09648	5.8
161.13239	8.2
163.11186	8.6
165.07007	7.1
165.09111	34.5
166.07764	1.5
167.08572	11.6
167.10678	13.1
168.09340	9.2
169.10127	28.0
170.10948	9.6
171.11699	33.8
172.63826	1.7
173.09673	2.1
173.13242	26.0
175.11171	4.4
175.14790	7.9
178.07919	1.6
179.08548	16.0
180.09361	8.6
181.10123	16.1
181.12234	5.9
182.10918	7.7
183.11690	25.4
184.12474	4.2
185.13261	19.0
187.11253	2.5
187.14838	7.8
189.12794	6.5
191.14297	10.3
192.09366	4.5
193.10115	15.2
193.12013	2.4
194.10899	9.5
195.11707	23.2
196.12474	6.6
197.13245	20.3
199.14784	18.9
201.16383	4.3
203.14276	17.0
205.10194	5.8
206.10951	6.8
207.11731	19.0
207.13802	5.6
208.12326	7.9
209.13268	24.8
209.15201	1.9
210.14059	4.5
211.14790	11.9
213.12799	1.9
213.16386	3.2
215.14371	3.7
217.10098	3.8
217.15854	11.3
218.10880	3.8
219.11723	9.3
220.12485	4.2
221.13243	16.9
221.15408	67.9
222.14049	4.6
223.14832	15.3
224.15617	2.8
225.12769	1.8
225.16435	6.2
227.14380	2.0
230.10980	2.2
231.11783	4.7
231.17461	3.9
232.12511	4.3
233.13268	12.3
233.15408	5.9
234.14027	4.3
235.14796	10.2
236.15497	3.0
237.16293	7.4
239.17992	3.9
243.11772	4.9
243.17453	2.0
244.12457	3.7
245.13255	6.3
246.14101	4.7
247.14850	9.8
247.17099	2.6
248.15529	3.5
249.16414	7.7
251.17992	4.5
253.15930	1.9
253.19534	3.7
255.17422	3.0
257.13318	2.9
257.19067	6.0
258.13983	4.4
259.14896	5.6
260.15607	5.7
261.16394	8.4
262.17139	2.9
263.14401	1.5
263.17889	7.4
265.19489	7.6
269.19046	4.7
271.14716	2.3
273.16489	5.3
275.17914	12.4
276.18686	2.9
277.16000	1.6
277.19516	4.6
279.17496	2.6
279.20877	3.2
281.13385	1.6
281.18991	3.9
283.14767	2.5
283.20505	12.1
287.17654	3.1
287.20416	2.3
289.19525	4.6
291.21167	3.5
295.20654	5.2
297.22147	5.4
300.20898	2.3
301.19135	2.0
303.21091	2.1
305.22409	1.8
307.20526	2.8
315.21143	2.3
317.64490	1.9
319.20563	2.0
331.24338	4.9
335.23810	2.5
347.23663	2.7
349.25314	6.6
352.24249	1.8
361.25275	2.7
365.24805	1.9
375.26920	7.9
403.30038	6.6
418.87228	1.7
475.45230	1.7
479.46066	1.6
491.35104	6.5
503.35190	6.6
509.34549	2.1
547.39459	2.6
565.40350	25.1
568.38666	2.0
583.41431	100.0
584.42010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.05510	12.1
57.07075	10.5
59.05000	3.5
62.54660	1.3
65.03923	4.2
67.05502	18.6
69.03423	5.9
69.07067	14.3
69.50086	9.8
70.59776	1.3
72.82276	1.6
79.05492	18.3
81.07061	24.4
83.04985	8.5
83.08620	7.3
85.06547	6.8
87.67720	1.7
91.05486	35.9
93.07042	44.9
95.04965	6.4
95.08611	34.2
97.06522	3.3
97.10118	1.7
98.21554	2.9
103.05476	4.0
105.04509	1.7
105.07030	64.8
107.08593	36.4
107.09308	2.3
109.06531	7.1
109.10162	17.3
111.08114	1.9
115.05451	4.0
117.07009	13.6
119.08582	62.7
121.06519	4.0
121.10143	35.9
123.08070	13.9
123.11709	6.5
125.06010	2.9
125.09611	2.6
127.08540	1.5
128.06232	10.9
129.07025	12.8
130.07805	4.8
131.08574	27.2
133.10135	33.3
135.08054	9.6
135.11702	12.6
137.09634	11.5
139.11269	1.8
141.06978	8.9
142.07767	24.1
143.08551	33.1
144.09346	6.6
145.10129	44.7
147.08037	17.6
147.11705	9.6
149.09627	6.0
149.13269	3.4
151.07529	14.1
153.06981	2.4
153.09094	1.7
154.07779	3.3
155.08551	14.3
156.09361	15.1
157.10135	44.1
158.10910	7.4
158.52794	1.6
159.08026	3.2
159.11710	27.3
161.09633	5.3
161.13281	6.1
163.11214	6.5
165.07008	6.4
165.09102	32.7
166.07849	2.3
167.08545	10.5
167.10664	8.2
168.09390	7.4
169.10101	25.4
170.10913	7.8
171.11682	25.5
172.12442	1.8
173.09657	4.6
173.13274	22.0
175.11226	3.1
175.14832	8.5
177.09106	1.9
177.12781	2.1
179.08580	11.6
180.09325	6.0
181.10152	12.8
181.12247	5.5
181.93767	1.5
182.10945	6.2
183.11693	24.7
184.12480	4.4
185.13277	15.9
187.11200	2.6
187.14838	6.4
189.12816	5.7
189.16437	2.6
191.14255	7.9
192.09323	4.1
193.10144	14.2
194.10887	10.8
195.11667	19.8
196.12503	6.0
197.13245	17.4
198.14087	2.3
199.11195	3.2
199.14848	14.2
201.12715	2.5
201.16449	3.7
203.08521	1.6
203.14326	15.0
205.10156	5.3
206.10959	5.8
207.11711	15.9
207.13811	5.9
208.12521	5.6
209.13290	22.7
209.15218	1.6
210.14064	2.9
211.14838	10.6
213.12813	1.7
213.16418	4.8
215.14384	2.4
217.10207	3.1
217.15871	8.9
218.10899	3.3
219.11734	7.2
220.12538	5.9
221.13283	13.4
221.15410	59.8
222.14024	4.1
223.14841	11.5
224.15555	2.9
225.12863	1.8
225.16515	4.9
227.14302	3.1
231.11711	5.5
231.13808	1.9
231.17511	4.2
232.12520	3.7
233.13258	10.3
233.15421	3.9
234.14114	3.6
235.14857	8.7
235.16951	1.8
236.15504	2.2
237.12827	2.0
237.16354	7.8
239.18027	3.7
241.15945	2.4
243.11729	3.2
244.12665	2.3
245.13271	5.6
246.14197	3.7
247.14735	7.3
247.17029	1.9
248.15672	2.8
249.16374	9.3
250.17310	2.3
251.17992	6.5
255.17653	2.5
257.13239	2.6
257.19119	6.4
258.13943	1.8
259.14893	5.0
260.15649	4.4
261.16299	7.9
262.17258	2.0
263.18018	5.5
265.19638	7.2
267.17340	1.7
269.19061	3.5
271.14810	2.3
271.20636	2.0
273.16528	4.4
274.17151	2.0
275.17822	9.3
277.19501	4.8
279.21045	2.4
281.19174	2.7
283.14490	1.8
283.20581	13.5
285.16251	3.1
286.19452	2.6
287.17667	2.6
287.20389	3.0
289.19476	3.1
291.21115	2.3
293.18988	2.9
295.15036	2.1
295.20554	4.7
297.22226	4.8
299.20230	2.2
300.20987	2.5
301.19324	2.5
313.19110	2.4
317.22650	3.2
328.58563	1.5
329.22687	2.4
331.24307	6.6
333.22269	2.9
335.23853	2.1
349.25256	8.0
357.25641	2.8
361.25192	2.1
365.25055	2.7
375.26880	6.7
403.30005	6.5
491.35266	5.7
503.35178	6.1
547.39502	2.9
565.40497	22.4
583.41437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05503	8.8
56.73371	1.9
57.06853	1.5
57.07079	14.6
57.99165	1.8
59.04989	8.8
66.03164	1.9
67.05509	16.5
69.03421	4.9
69.07078	15.8
70.09614	8.8
71.04977	2.3
71.08634	5.2
73.72890	2.0
79.05495	17.5
81.07057	26.3
83.04980	4.1
83.08609	6.6
85.06535	4.9
85.10167	5.1
87.04431	3.6
91.05485	27.2
93.07050	41.6
95.04962	6.1
95.08617	30.3
97.06519	4.0
98.21549	2.5
103.05503	3.7
105.04570	2.0
105.07039	50.2
107.08592	34.1
109.06522	8.0
109.10167	20.0
111.08083	2.6
115.05447	4.3
117.07040	14.0
119.08582	61.8
120.09442	2.2
121.06505	4.5
121.10149	28.4
123.08066	18.0
123.11715	4.1
125.06038	2.6
128.06244	8.6
129.07024	12.6
130.07797	4.3
131.08569	21.9
133.06491	2.9
133.10133	35.4
135.08080	13.9
135.11696	19.2
137.09601	13.1
141.06993	3.8
142.07809	12.0
143.08568	23.3
144.09348	8.2
145.10135	46.4
147.08052	17.4
147.11679	13.3
149.09569	5.4
151.07538	17.9
153.06952	2.5
155.08600	9.9
156.09354	10.9
157.10143	36.0
158.10869	3.6
159.08086	3.0
159.11690	25.0
161.09656	5.5
161.13268	8.6
163.11209	8.1
165.07016	2.8
165.09116	45.9
166.07986	2.4
167.08574	5.6
168.09343	6.3
169.10135	18.9
170.10959	4.5
171.11710	23.1
173.09637	4.4
173.13304	11.7
175.11223	2.5
175.14815	12.6
179.08571	4.7
180.09355	4.2
181.10156	7.2
181.12234	5.9
182.10907	5.0
183.11725	19.7
185.13210	11.3
187.11150	2.4
187.14851	9.4
189.12793	7.7
193.10176	4.4
194.10950	7.1
195.11717	12.5
197.13313	12.9
199.14836	4.0
201.16412	3.9
203.14296	15.3
205.15778	4.0
206.10925	4.2
207.11771	7.7
207.13667	3.7
208.12422	3.3
209.13271	18.2
211.14822	6.8
213.16312	2.5
219.17581	2.2
220.12547	3.6
221.13339	7.6
221.15356	81.6
223.14839	7.6
232.12570	2.3
233.13232	4.6
233.15387	2.9
235.14825	8.2
237.16588	2.4
247.14861	4.5
247.17119	2.4
249.16364	4.6
251.18156	2.4
263.17792	2.5
265.19498	5.6
267.17407	2.6
283.20438	5.3
283.26453	2.7
284.26694	4.8
287.20227	3.8
303.20535	2.0
349.25183	3.7
375.26944	3.2
399.29083	2.6
425.30670	2.7
473.34314	2.9
491.35217	41.2
503.34937	2.8
515.48029	2.5
539.51471	2.3
565.40442	8.6
583.41443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57933	0.9
51.80516	0.8
53.03936	2.7
55.05506	6.4
57.07078	6.3
59.04999	3.4
65.03952	0.9
67.05499	13.2
69.03438	6.7
69.07069	5.8
69.22961	9.5
71.08630	0.9
71.91862	0.9
79.05499	11.1
81.03440	1.0
81.07062	14.4
81.52222	1.0
83.04970	2.3
83.08608	2.6
84.09018	0.8
85.06526	3.8
85.10215	0.9
91.05485	20.1
92.40504	0.8
93.07043	29.7
95.04980	4.9
95.08611	25.4
105.04577	1.1
105.06319	1.8
105.07030	35.8
107.04926	2.3
107.08595	15.6
109.06542	5.2
109.10162	8.4
115.05425	1.9
117.06997	6.0
119.08576	27.7
119.09373	2.0
121.06519	4.0
121.10140	20.7
123.08058	17.3
123.11743	2.3
125.05945	1.1
128.06192	4.8
129.07007	5.9
130.07797	3.6
131.08568	12.6
133.06467	2.0
133.10124	14.0
135.08067	7.8
135.11676	6.1
137.09607	9.2
141.07004	3.7
142.07779	10.9
143.08569	17.0
144.09338	3.8
145.06479	1.2
145.10124	18.6
147.08038	18.0
147.11679	5.6
149.09636	3.9
151.07544	21.6
151.08685	1.7
153.07002	1.8
154.07796	1.7
155.08505	6.2
156.09344	10.0
157.10138	23.6
158.10867	2.8
159.08102	1.6
159.11693	11.5
160.12518	1.2
161.09610	3.3
161.13255	6.2
163.11182	4.0
165.06995	3.4
165.09117	31.6
165.10550	1.7
166.07756	0.9
167.08598	5.0
167.10721	1.6
168.09392	2.8
169.10126	10.7
170.10931	6.6
171.11694	14.2
173.09727	1.6
173.13234	9.9
175.11195	2.7
175.14777	2.6
177.09129	1.6
177.12808	1.2
179.08617	5.5
180.09370	2.9
181.10127	6.4
181.12222	2.1
182.10970	4.0
183.11682	10.7
184.12485	1.7
185.13258	11.0
187.11215	1.1
187.14917	2.9
189.12770	3.7
189.14342	1.0
191.14319	1.8
192.09264	2.1
193.10190	7.5
194.10881	5.1
195.11693	9.3
196.12479	3.2
197.13260	10.7
199.14845	3.2
201.12746	1.2
201.16437	1.1
203.14325	13.8
205.10170	1.4
206.10922	2.6
207.11723	6.0
207.13841	7.9
208.12521	3.7
209.13292	13.1
209.15193	1.9
210.14000	2.1
211.11188	1.4
211.14835	2.7
213.12778	1.6
213.16425	2.7
215.14290	1.6
217.10185	2.2
217.15894	0.9
218.10889	1.6
219.11725	2.8
219.13814	1.0
219.17503	3.6
220.12485	2.3
221.13293	7.7
221.15343	60.5
222.13979	1.7
223.14804	5.9
225.12781	1.4
225.16393	3.5
227.17953	1.1
229.16051	1.3
231.11688	1.3
231.13773	1.3
231.17397	2.1
232.12460	1.8
233.13277	4.4
233.15421	1.3
234.14076	1.9
235.14835	5.5
236.15605	1.2
237.16360	2.7
239.17999	1.8
243.17561	1.2
245.13254	2.4
246.14001	2.2
247.14897	3.1
247.17081	1.5
248.15323	1.5
249.16443	2.7
250.17049	1.1
251.17996	2.5
253.19559	2.7
257.19025	1.2
259.14777	2.4
261.16403	2.8
263.17914	3.3
265.19522	2.4
267.17523	1.2
271.20596	2.3
275.17896	2.3
277.19586	2.3
279.21066	2.4
281.18643	0.9
283.20502	4.5
287.20270	1.8
289.19666	1.8
293.19232	1.1
295.20648	4.0
297.22229	3.9
299.20251	2.0
301.19397	1.7
303.21066	1.2
309.22168	1.1
315.21179	1.4
317.23053	1.0
329.22681	1.3
333.22070	1.0
348.24423	1.6
349.25284	2.8
352.23978	2.7
357.25851	3.8
365.24887	2.3
375.26920	7.1
375.87827	1.0
403.29932	9.7
430.98999	1.0
491.34177	1.5
503.35239	5.9
509.34277	3.0
525.54388	1.0
547.39313	2.5
565.40369	28.7
583.41455	100.0
584.42010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05512	7.8
57.07066	8.0
59.04994	3.7
66.15441	1.2
67.05512	14.8
69.03420	5.3
69.07085	6.3
79.05490	13.8
80.62187	1.1
81.07047	15.9
81.07468	1.4
83.04962	2.9
83.08605	4.1
85.06528	2.6
91.05486	22.7
93.06482	2.5
93.07045	30.8
95.04961	3.6
95.08607	26.6
95.11089	1.3
96.08776	1.4
97.06546	2.9
97.10163	1.0
103.05471	2.4
105.04533	1.8
105.07029	39.6
107.08592	21.9
109.06546	4.3
109.10159	10.1
111.08093	2.1
115.05491	1.4
116.06249	1.4
117.07026	6.2
117.66829	1.2
119.08583	34.2
121.06497	4.9
121.10139	21.8
123.08070	18.5
123.11734	1.4
125.06011	2.3
128.06241	5.2
129.07008	6.7
130.07771	3.1
131.08565	16.2
133.06511	2.4
133.10129	22.3
135.08063	7.8
135.11690	6.0
137.09627	11.1
139.11203	2.1
141.06996	2.4
142.07770	10.2
143.08577	19.6
144.09360	3.7
145.06436	1.4
145.10130	23.4
147.08055	18.9
147.11707	6.9
149.09639	3.8
149.13329	1.5
151.07542	17.6
153.07033	1.8
155.08580	11.1
156.09361	10.5
157.10124	29.8
158.10918	2.3
159.08064	3.6
159.11670	14.4
161.09666	4.1
161.13301	6.2
163.11211	4.0
165.07002	2.8
165.09132	35.2
167.08565	4.9
167.10681	1.9
168.09378	4.7
169.10139	10.2
170.10912	4.9
171.11728	17.9
172.12395	1.3
173.09535	1.9
173.13252	8.1
175.11247	2.0
175.14809	2.7
177.09210	1.4
177.12788	1.3
179.08565	6.4
180.09332	2.7
181.10150	9.5
181.12148	1.5
181.22350	1.3
182.10912	6.7
183.08112	1.2
183.11697	14.4
184.12384	1.7
185.09653	1.4
185.13245	13.1
187.14877	3.4
189.12790	5.8
191.14389	3.0
192.09404	3.2
193.10143	6.7
194.10907	4.9
195.11662	14.7
196.12543	4.4
197.13261	13.5
198.14011	1.5
199.11244	1.5
199.14859	6.5
201.16357	2.1
203.14294	16.6
205.10214	1.8
206.10982	3.9
207.11720	10.1
207.13864	7.5
208.12436	4.3
209.13293	16.2
210.13956	1.9
211.14690	7.1
212.15327	1.5
213.12740	1.4
213.16325	3.5
215.14270	1.5
217.10173	1.8
217.15845	1.6
218.10957	1.7
219.11784	3.9
220.12523	4.0
221.13293	6.2
221.15349	57.7
222.13930	1.8
222.15822	1.8
223.14772	8.2
224.15466	1.4
225.16298	3.1
227.14453	1.9
231.11720	2.8
231.17503	1.5
233.13289	5.2
233.15355	1.7
234.14008	3.0
235.14803	6.5
237.16364	6.0
239.18018	2.6
243.11678	2.4
245.13356	3.5
246.14099	2.5
247.14880	3.0
247.17097	1.6
248.15550	2.2
249.16405	4.5
251.18053	3.2
253.19460	2.6
257.19049	3.0
259.14755	3.1
261.16501	5.0
263.18018	3.0
265.19638	3.6
267.17493	1.9
269.18967	1.6
271.14728	1.4
271.20593	2.4
273.16293	2.7
274.17099	1.8
275.17865	2.9
277.19586	3.9
279.20978	2.8
283.20609	5.5
286.19165	1.9
287.20316	1.7
289.19412	2.9
295.20633	3.4
297.22131	5.4
299.20032	2.2
310.17029	1.4
329.22586	2.0
347.23730	2.2
349.25403	3.4
352.23865	2.8
357.25745	1.9
365.24686	3.1
375.26672	7.0
385.28848	1.4
403.30011	10.9
467.28168	1.4
503.35095	5.2
509.34607	3.4
547.39417	3.0
565.40485	29.5
583.41449	100.0
584.41760	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	583.2553
Annotation	Quivisianolide B
Peak:m/z	Relative Intensity
52.53839	1.3
55.05499	2.0
57.07065	1.2
57.77341	1.4
61.12967	1.2
66.35274	1.3
67.05496	4.3
69.07072	2.4
69.47942	9.8
79.05492	3.8
81.03414	3.6
81.07065	4.8
83.08610	1.4
84.13484	1.2
91.05483	5.6
91.72636	1.3
93.07052	5.8
95.04974	2.9
95.08591	3.7
97.06540	1.4
105.07036	6.4
107.04985	1.8
107.08607	4.4
109.10165	3.4
117.07036	2.3
119.08589	6.8
121.10169	3.0
123.04451	2.5
123.08096	1.6
123.11631	1.4
131.08575	2.0
133.10127	3.3
143.08597	1.9
145.10132	3.1
147.11734	1.6
155.08620	1.4
157.10114	1.5
159.11668	2.2
161.07170	1.4
171.11710	2.3
173.13210	1.7
173.36626	1.4
185.10786	2.6
185.13216	1.9
187.08812	1.3
199.12563	1.5
210.11502	1.7
213.10286	2.5
214.10963	2.5
221.15405	2.0
227.11847	1.8
233.52084	1.2
235.13289	1.7
237.10246	2.1
238.11009	1.7
251.18074	1.4
273.12527	5.1
275.20209	3.5
292.69580	1.5
297.12296	6.3
340.14670	1.6
402.18085	2.7
406.18231	2.5
407.18500	1.6
420.19949	2.0
433.16861	3.4
434.16858	2.7
435.18628	1.6
447.18423	1.6
448.19150	2.8
449.19891	4.7
463.21869	2.7
465.19336	3.8
466.20239	7.8
479.16904	2.6
491.20511	3.8
492.18784	2.2
493.18652	6.3
494.19293	7.4
506.20792	1.9
507.20193	6.2
508.21161	9.3
509.21890	16.3
522.22534	1.8
523.23456	8.7
535.19769	3.3
548.21661	2.4
553.20789	25.6
565.24475	36.3
566.23572	2.3
568.23102	10.0
583.25537	100.0
583.40369	3.4
584.25940	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	582.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.05510	12.5
57.07066	5.0
59.04992	4.3
63.40233	2.1
67.05512	14.7
69.07075	14.4
71.24187	4.3
71.24519	2.4
73.06539	2.7
76.51162	2.3
79.05508	27.8
80.06242	2.7
81.07055	31.5
83.08611	5.4
91.05476	43.3
93.07040	47.6
94.07840	2.7
95.04953	4.1
95.08611	20.2
103.05438	3.8
105.07035	75.3
106.07811	3.8
107.08595	35.1
109.10171	17.1
111.08085	6.9
112.44863	2.4
115.05415	5.7
117.07014	30.5
119.08584	100.0
120.09346	6.0
121.06451	3.7
121.10153	24.5
122.46295	2.4
123.08047	5.1
123.11697	5.7
125.09646	4.0
128.06221	10.8
129.07025	15.9
130.07771	11.8
131.08582	46.2
132.09331	11.3
133.10141	44.3
134.10916	4.6
135.08011	5.4
135.11679	12.6
137.09610	28.0
139.11192	2.9
141.07011	6.1
142.07809	15.4
143.07527	3.5
143.08560	45.0
144.09305	11.8
145.10130	72.6
146.10892	5.7
147.11716	20.0
149.09618	7.8
149.13222	4.5
150.91270	2.4
151.11192	3.8
152.11996	5.1
155.08591	13.6
155.82700	2.5
156.09315	17.4
157.08942	4.5
157.10135	45.3
158.10912	10.0
159.11713	37.3
160.12399	4.2
160.13725	2.4
161.13255	3.9
165.07004	5.0
165.12772	5.0
166.07793	3.2
167.08585	8.2
168.09358	6.2
168.75841	2.8
169.10156	28.7
170.10909	8.4
171.11694	34.8
172.12483	6.2
172.17653	3.4
173.13284	26.5
175.11244	4.2
175.14807	19.5
177.12750	7.4
179.08546	14.1
180.09377	4.4
181.10187	17.9
182.10844	7.1
183.11710	23.0
184.12396	6.5
184.44868	2.7
185.13261	21.3
186.14032	7.0
187.14764	14.7
189.12642	3.3
191.14278	4.9
192.15010	4.9
193.10129	10.9
194.10901	10.3
195.11661	14.8
196.12482	7.8
197.13268	22.6
198.14018	6.2
199.14789	8.2
200.15622	4.3
201.12781	3.9
201.16373	5.7
203.14253	5.6
205.10167	3.4
205.15869	11.5
207.11658	8.0
208.12494	6.0
209.13260	21.5
211.14888	14.3
212.15565	3.2
213.16400	4.9
215.14384	2.7
217.15906	5.3
219.11664	3.4
221.13252	9.7
223.14754	6.7
224.15508	3.0
225.16425	5.4
235.14873	6.8
237.16367	11.3
247.14970	3.5
249.16486	3.4
251.17830	5.3
255.17442	3.4
263.17944	4.9
265.19672	3.8
275.18033	2.6
277.19412	3.3
297.21982	3.2
305.22571	3.9
311.01001	3.0
323.23679	6.9
338.26025	42.3
411.89572	2.9
430.32358	32.9
472.05127	2.8
490.38037	5.1
582.44189	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	581.1501
Annotation	Orientin 2''-O-beta-L-arabinofuranoside
Peak:m/z	Relative Intensity
53.03917	0.9
57.03385	0.7
57.12506	0.7
62.79113	0.7
68.99780	0.9
69.03418	0.9
70.82429	0.9
70.82773	1.6
73.02884	1.0
76.16615	0.7
79.01828	1.6
85.02856	1.4
109.02863	0.7
111.82441	0.7
120.44611	0.8
123.04357	0.9
135.04413	1.5
137.02335	10.9
147.04414	0.9
149.02336	1.0
153.01822	0.9
157.11537	0.7
161.02448	1.1
165.01840	2.8
177.05357	0.8
179.03378	0.8
191.93048	0.8
213.05464	0.7
217.04967	4.2
219.02826	1.1
229.04967	1.8
241.04903	0.9
243.02834	2.7
244.07343	0.8
258.05124	0.7
259.05997	3.2
261.03995	1.9
271.05988	2.5
272.06818	6.0
275.05521	0.8
283.05624	0.8
286.04752	1.3
287.05481	5.6
297.07672	0.8
299.05511	55.0
300.06281	33.5
301.06949	3.1
311.05493	11.0
313.07092	11.7
323.05453	0.8
324.06256	1.9
325.07104	5.4
327.05084	2.7
329.06558	100.0
330.06961	1.5
339.05023	1.5
339.08615	16.9
341.06561	4.0
353.06601	21.0
359.07672	5.9
365.06659	1.7
367.08075	6.8
371.07748	2.2
383.07504	8.8
395.07690	7.2
413.08649	19.2
431.03806	1.2
431.09726	24.6
449.10809	86.4
450.11185	1.6
461.10797	5.2
581.15045	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	581.1502
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
51.95056	1.2
57.03424	4.8
70.46155	2.5
70.46508	3.3
72.30063	1.2
73.02930	10.0
85.02923	3.2
97.02959	1.8
110.99277	1.1
122.02251	1.3
135.04388	2.8
137.02361	6.1
159.04407	1.4
161.02377	2.0
163.03937	2.2
165.01846	10.1
167.03383	3.3
177.01866	1.7
183.02744	1.6
196.45709	1.2
254.53885	1.2
272.30460	1.3
275.03720	1.3
283.06058	9.3
286.04648	4.4
287.05560	8.2
297.07687	6.8
299.05515	86.1
300.06287	9.2
311.05496	11.2
311.08737	2.3
313.07047	3.2
321.07651	1.5
323.05377	1.4
325.03531	2.9
325.07068	21.1
325.10614	1.2
329.06558	100.0
330.06940	1.7
334.89359	1.5
337.07050	1.5
339.08557	14.4
349.06992	2.6
353.06567	40.0
365.06506	10.5
377.06494	7.9
383.07642	26.4
395.07617	18.4
413.08719	20.7
431.09753	32.7
449.10785	45.2
450.24323	1.3
581.15375	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	581.1501
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
53.02898	1.0
54.44455	0.9
55.46032	1.0
57.03428	4.4
61.02940	1.8
61.23343	1.0
69.03432	1.6
69.62114	6.9
73.02919	13.1
81.03407	1.8
82.47421	1.0
85.02898	3.0
97.02911	1.3
98.21468	1.8
99.62125	0.9
103.03888	1.1
109.02889	2.2
121.02898	1.7
135.04402	3.2
137.02370	6.1
139.03906	3.2
141.01880	1.3
147.04471	1.3
149.02354	3.9
161.02354	3.0
163.03894	2.3
165.01852	15.1
167.03392	2.8
177.01863	3.1
183.02950	2.3
185.12390	1.0
187.03902	1.9
191.03392	1.1
193.05017	0.9
195.02954	1.6
215.03378	1.7
243.02826	1.4
255.06653	2.1
271.06012	1.1
283.05975	10.5
286.04733	3.2
287.05493	7.9
295.06039	1.5
297.07642	9.9
299.05505	100.0
300.06290	13.8
311.05591	13.9
311.08984	2.5
312.05771	1.3
313.03690	1.2
313.07025	4.0
321.07556	2.5
323.05655	2.6
324.06204	2.4
325.03650	1.3
325.07065	26.0
326.07178	1.3
329.06558	95.3
330.06842	2.2
337.07092	3.3
339.08615	15.7
349.07037	4.0
353.06583	41.8
365.06580	11.7
367.07996	1.8
377.06519	9.5
383.07639	26.8
395.07605	17.2
413.03641	1.5
413.08734	15.9
431.09708	33.1
432.10403	1.3
449.10818	39.3
545.09686	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	579.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34787	0.3
51.89458	0.4
52.91897	0.3
53.03944	0.5
55.01858	0.3
55.05492	0.7
65.03929	1.3
65.18341	0.4
66.50626	0.4
67.05502	1.8
69.03417	1.3
69.07052	0.4
70.06590	0.9
70.84205	1.1
71.04984	0.4
77.03934	0.9
79.05489	0.6
81.03419	2.2
81.07046	1.5
83.04968	0.6
84.08150	0.4
85.02896	1.1
85.06536	0.5
86.09676	0.4
89.03916	0.4
91.05479	22.2
93.07039	0.9
95.04971	0.8
95.08598	1.7
97.02919	0.4
101.75547	0.4
103.05477	0.7
105.07059	0.4
107.04955	0.7
107.08593	1.2
108.05713	0.4
109.02862	1.1
109.06498	0.6
109.10160	4.9
119.04945	32.1
119.08603	2.7
120.08109	0.4
121.10132	0.9
123.04453	1.8
123.08080	0.6
123.11750	0.4
127.03911	3.6
131.04893	0.6
132.02089	1.2
133.02856	0.8
133.10144	1.6
135.04411	1.6
135.11693	4.7
137.09634	0.7
139.03902	1.6
147.04413	24.7
149.02309	0.8
151.11215	0.4
151.14862	0.8
157.03978	2.6
161.06013	0.4
163.03926	1.9
164.04672	1.6
167.07097	0.5
175.03912	45.6
175.14810	1.7
176.04256	0.6
179.07072	2.3
193.15889	2.9
207.06529	100.0
208.06859	0.9
211.16917	2.7
225.07562	1.0
247.06061	0.5
271.06039	0.9
283.06107	0.7
287.05505	1.3
301.07092	0.7
351.10812	3.3
369.11740	6.1
380.59802	0.4
383.38486	0.4
409.09155	1.3
451.08475	0.5
547.19849	0.6
579.32092	0.4
579.46954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
50.09850	1.0
51.40277	0.9
51.62560	1.0
57.03422	1.4
57.34042	1.0
65.03923	1.0
65.19382	1.0
65.81924	0.9
68.99796	1.8
69.03426	1.0
70.06596	5.3
71.04988	3.7
71.49934	1.5
72.08140	1.9
73.02919	1.6
79.01875	1.3
81.03422	3.1
83.04987	1.6
84.04493	1.7
84.08121	3.6
85.02897	5.9
86.09706	4.5
91.05509	0.9
95.04960	1.2
101.07152	1.0
107.04943	1.6
109.02867	1.4
110.07160	1.1
111.00787	1.0
111.04437	1.6
119.04936	3.0
119.95370	0.9
120.08114	2.5
121.02863	11.8
123.04436	16.4
124.26680	1.0
125.54903	0.8
127.03924	25.6
129.10260	1.2
131.05013	1.0
135.04417	8.8
136.07602	1.4
137.05977	1.2
139.02933	1.4
139.03909	11.6
145.02808	1.9
147.04402	3.9
149.02344	2.2
151.03902	2.8
157.06577	1.3
159.04430	1.4
161.05992	1.4
161.60374	0.8
163.03902	10.4
165.01855	2.7
165.05492	2.2
167.03439	2.4
167.07091	4.5
167.08366	1.1
169.06483	1.0
173.06018	1.9
175.03926	1.2
177.05551	1.3
179.03426	1.5
180.91356	0.9
183.02937	1.0
187.03864	2.3
189.05379	1.2
190.59607	0.8
191.03398	2.9
195.02946	1.0
197.06126	1.4
201.05540	1.6
203.03407	2.0
205.04961	2.1
213.05486	2.2
215.03293	0.9
217.04958	3.1
229.05000	2.6
233.04449	3.0
241.05048	1.6
243.02888	3.2
243.06567	3.4
245.04469	1.7
247.06017	5.9
255.06554	3.0
256.07272	4.9
257.04514	4.0
259.06064	4.9
261.03848	1.9
267.06540	1.6
270.05298	1.4
271.03201	0.9
271.05991	13.7
275.05566	3.5
283.06015	59.6
284.06793	34.9
285.07422	3.7
287.05450	6.5
289.07126	2.6
291.08884	2.1
295.05991	11.3
297.07602	15.1
299.05408	1.4
301.07111	4.6
307.06134	2.3
308.06876	2.4
309.07510	6.8
311.05518	3.7
313.07050	100.0
314.07510	3.1
315.07587	3.4
321.07584	1.5
323.05569	2.1
323.09097	14.6
325.07001	5.0
327.08527	1.7
334.99756	1.1
337.07080	23.2
343.08209	5.2
349.07007	2.2
351.08759	6.6
355.08197	1.6
361.07339	1.2
367.08066	10.6
379.08057	8.8
397.09229	19.2
409.09091	6.3
415.04889	1.9
415.10248	25.8
417.11349	1.3
427.10233	2.3
433.11313	84.5
434.11719	2.0
459.12869	3.8
579.16992	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	579.1708
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
52.46158	2.0
54.88714	2.1
58.13734	2.1
61.04491	2.1
65.31448	2.0
70.47935	8.6
71.04996	19.1
78.60543	2.3
85.02900	25.4
107.53726	2.3
108.51168	2.6
119.04974	3.6
121.02888	10.7
123.04424	15.4
127.03913	12.0
135.04410	3.6
139.03938	5.3
147.04414	4.2
163.03947	9.2
165.01918	5.6
191.03423	2.3
217.05019	2.6
245.04523	3.0
247.06142	3.5
249.31717	2.3
256.07333	3.4
257.04733	2.3
267.06482	4.7
270.05316	2.7
271.06055	9.6
275.05640	2.3
281.08182	3.2
283.06024	93.7
284.06702	18.0
287.05573	3.9
295.06049	14.7
295.09241	3.2
297.07590	7.8
308.06705	3.0
309.07562	16.2
313.07077	100.0
323.09061	18.2
325.06995	3.6
337.07037	38.4
343.08554	3.3
349.07132	8.4
351.08673	5.7
361.07098	6.5
367.08154	25.8
379.08075	14.7
397.09189	24.1
409.09229	5.2
415.10245	38.2
433.11349	91.8
490.91455	2.7
579.16992	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	579.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01873	1.3
55.99416	0.9
60.58501	0.9
68.99787	4.9
69.91403	3.8
70.06590	1.3
77.03903	1.3
81.03416	3.2
89.03925	1.1
93.03389	1.3
95.04963	1.7
106.58669	0.8
107.04971	4.0
109.02873	3.3
111.00797	2.4
111.04465	2.1
115.05516	0.9
119.04971	1.6
121.02883	2.1
123.04436	42.6
127.03922	100.0
131.04955	2.3
132.47510	1.0
132.98743	1.6
135.04424	31.8
137.02339	3.0
139.03906	47.3
141.07040	1.1
147.04445	6.8
149.02344	4.3
149.06006	2.3
151.03926	7.0
157.06454	1.2
159.04410	3.4
161.05933	3.9
163.03911	38.5
165.05534	4.1
167.03423	6.9
169.06493	1.7
173.06009	2.8
175.03940	3.0
177.05513	3.3
179.03413	4.3
183.04279	0.9
185.05948	1.8
187.03862	4.6
187.07565	1.1
189.05466	2.0
191.03403	10.4
193.04982	3.9
197.05977	2.1
201.05501	6.2
203.03448	6.9
203.05234	1.6
203.07104	2.1
204.91742	0.8
205.04987	2.9
207.06602	1.2
213.05495	1.3
215.06976	1.6
224.00832	0.8
229.04988	4.8
231.06488	1.6
233.04469	4.6
236.99788	5.9
243.06546	4.3
245.04433	6.1
247.06049	13.8
251.05440	1.3
255.06470	2.0
257.04468	9.7
258.05334	1.1
259.06055	8.4
269.04749	1.9
271.06000	17.2
273.07593	1.5
275.05539	15.1
283.05911	5.7
287.05518	18.6
287.22372	0.8
289.07083	10.3
291.08661	8.3
297.07791	1.0
299.05463	3.0
301.07080	11.8
303.08517	2.4
365.10602	4.4
409.09250	20.7
411.10654	2.6
421.08997	1.2
427.10370	4.5
435.10651	1.6
453.10464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
55.01878	1.2
62.65833	0.8
64.89486	0.9
68.99796	3.8
70.68436	2.6
81.03427	2.7
82.52556	0.9
95.04971	1.4
99.04447	1.6
106.21191	0.9
107.04946	2.9
109.02880	2.8
111.00816	2.1
111.04417	2.1
114.76792	0.9
119.04919	1.8
121.02878	2.5
123.04425	36.4
127.03918	100.0
131.04918	2.3
135.04417	30.7
135.05441	1.8
137.02328	2.3
137.05954	0.9
139.03903	49.5
144.08122	4.4
145.06520	1.2
147.04401	5.7
149.02345	3.6
149.05930	1.8
151.03908	7.5
159.04427	3.9
161.05981	2.9
163.02556	2.0
163.03915	34.2
165.05446	6.2
167.03413	8.8
169.06473	1.8
173.06038	2.1
175.03912	4.0
176.16254	1.0
177.05428	4.1
179.03387	2.7
185.06052	1.0
187.03922	6.2
189.05478	3.1
191.03416	9.7
193.04982	3.4
197.05971	3.4
201.05511	5.9
203.03362	8.5
203.07019	1.8
205.04866	2.3
207.06572	1.1
213.05569	1.5
215.03419	1.1
215.07021	1.7
217.04993	1.4
225.05431	1.3
229.04982	6.2
233.04355	5.5
241.05011	1.6
243.06535	4.0
245.04495	6.5
247.05997	13.8
253.05014	1.1
255.06526	1.8
257.04483	9.0
259.06097	7.6
269.04492	2.8
271.06003	17.2
273.07611	1.2
275.05508	14.4
283.06049	6.5
287.05481	21.4
289.07040	12.5
291.08649	11.2
299.05447	3.4
301.07031	12.7
311.05603	1.1
350.52707	1.2
408.13361	0.9
409.09158	21.1
411.10620	3.7
427.10538	4.9
439.10187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
55.01873	2.2
60.71079	1.1
65.03948	1.5
68.99799	4.1
70.06578	3.0
70.13159	3.3
70.13512	2.4
71.04992	1.1
77.03930	1.7
81.03417	2.7
84.21390	1.2
85.02910	2.0
87.57278	1.2
89.06033	1.7
89.33620	1.3
91.05483	1.8
93.03401	1.3
95.04971	2.6
98.20821	1.3
103.03929	2.5
105.03391	2.4
107.04957	3.0
109.02887	3.9
111.00829	2.7
111.04441	2.2
119.04961	4.9
121.02881	1.5
123.04426	100.0
127.03912	68.8
128.67584	1.2
131.04897	1.7
133.06493	1.4
135.04416	27.3
137.02379	2.6
138.63519	1.2
139.03893	33.6
139.04912	2.0
145.06497	1.6
147.04416	14.1
149.02292	2.4
149.06017	1.3
151.03941	6.4
157.06464	1.4
159.04437	3.2
161.06000	4.5
163.03899	33.4
165.05473	9.9
167.03423	4.3
169.06606	1.1
173.05972	2.6
175.03951	3.1
177.05484	4.1
179.03360	5.9
179.86615	1.2
181.04953	1.6
185.05965	2.7
187.03928	4.5
189.05466	4.5
191.03380	8.8
193.05022	6.8
197.06000	3.6
201.05499	5.4
203.03371	11.7
205.05040	1.5
207.06531	2.8
213.05522	3.6
215.03453	2.1
215.07054	2.9
217.04964	3.3
219.06531	1.4
229.04970	9.7
231.06566	1.8
233.04442	3.3
243.06546	3.1
245.04488	13.2
247.06018	16.5
255.06546	4.8
257.04428	17.2
258.05182	3.6
259.06021	6.8
269.04590	2.1
271.06030	14.9
273.07596	2.2
275.05487	14.1
283.05978	11.5
284.06668	1.4
285.07535	3.7
287.05511	37.7
289.07095	9.2
291.08652	9.2
295.06186	1.5
299.05508	9.4
301.07019	10.7
303.08719	2.7
313.07047	4.5
323.09271	1.8
325.07315	1.7
325.39450	1.4
337.06952	1.7
348.93127	1.2
367.08115	1.4
377.54990	1.3
379.08221	1.4
397.08957	1.4
409.09186	36.7
411.10782	3.4
421.09064	1.6
427.10284	5.5
433.10876	4.4
435.11075	5.8
439.10300	4.8
586.67615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90659	0.8
57.03432	1.3
59.04714	1.6
59.05005	26.8
61.02935	0.8
65.03907	0.6
65.54737	0.7
68.51662	0.8
68.99790	1.2
69.03439	1.5
69.07055	1.1
70.06593	4.8
71.40540	1.0
71.40884	1.1
72.08160	1.0
81.03413	1.9
84.04515	0.9
84.08140	2.4
85.02884	4.1
86.09727	4.1
87.04489	4.5
89.06034	100.0
91.03994	0.7
91.05486	1.1
97.02921	1.7
103.07638	3.3
103.08152	0.7
107.04987	1.3
107.07088	2.1
109.02854	1.2
111.04459	0.7
117.09164	2.8
117.70062	0.8
119.04981	1.4
120.08070	0.7
121.02889	0.8
123.04420	12.2
124.04755	1.0
127.03919	13.7
129.10268	1.4
131.07048	1.4
133.08611	57.0
135.04422	5.3
136.04878	0.9
137.02304	1.1
139.03908	10.4
147.04411	3.4
147.10176	1.4
151.03937	2.0
151.09647	1.4
161.06084	0.9
161.11813	1.2
163.03918	7.8
164.04402	0.9
164.07129	1.0
165.05504	1.2
167.03427	1.1
169.06451	0.7
169.10971	0.7
175.03966	2.3
177.05603	0.7
177.11234	24.4
179.03320	1.0
187.03862	1.2
191.03493	2.4
195.12367	3.2
201.05426	1.1
203.03421	1.8
205.05144	0.7
207.06580	2.4
221.13898	1.4
229.05045	1.4
235.15445	0.8
239.14902	4.6
243.06624	0.8
245.04495	2.5
247.06065	2.7
257.04434	2.0
271.06110	3.3
275.05276	1.4
283.06052	1.8
283.17526	55.8
284.18060	0.8
287.05545	4.5
289.07175	1.5
291.08734	1.4
299.05521	1.3
301.07031	1.0
341.21698	24.1
399.25906	25.0
408.07938	0.9
409.09283	4.6
411.10834	1.0
439.10199	1.1
578.34155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.01872	7.0
55.05515	41.6
57.03433	10.7
57.07072	6.0
59.04998	3.5
65.03936	8.6
67.05508	93.5
69.03432	4.7
69.07072	27.8
71.04991	14.3
71.08639	4.1
79.05495	79.3
81.03413	22.3
81.07057	100.0
83.04977	9.7
83.08614	24.1
85.06534	10.0
91.05476	72.8
93.07044	82.2
95.04964	14.5
95.08608	73.1
97.06551	10.7
97.10185	15.5
99.08121	4.8
105.07031	55.1
107.04947	6.1
107.08595	48.3
109.02896	9.1
109.06515	6.0
109.10164	34.6
110.18967	3.6
111.08099	4.6
114.89936	3.0
117.07020	21.3
119.08576	47.9
121.06509	6.3
121.10133	31.5
123.08063	6.9
123.11700	12.8
125.09641	14.4
128.06218	3.1
129.06993	15.8
131.08551	35.3
133.10135	38.8
135.08063	5.3
135.11705	22.4
137.09608	5.9
137.13254	6.3
139.11212	6.1
141.07010	5.5
142.07747	3.4
143.08578	11.2
145.10110	23.1
147.08075	4.1
147.11696	25.4
149.09656	4.5
149.13272	11.6
151.11160	9.2
157.10144	14.5
159.11684	20.8
161.09642	13.5
161.13255	11.3
163.11229	5.7
163.14815	4.5
165.12811	4.4
169.10156	9.1
171.11691	11.8
173.13283	17.6
175.11139	5.0
175.14824	8.6
179.10640	4.8
183.11720	6.2
185.13226	7.1
187.14888	5.5
189.09067	6.4
189.11150	5.7
191.14380	4.1
193.12134	5.6
195.11847	3.5
197.13255	4.5
199.14839	6.3
207.10106	3.8
209.13266	4.8
211.14905	4.8
225.11227	12.1
227.12804	13.4
231.13699	3.8
235.14793	3.6
239.16496	5.8
243.20967	7.6
253.14374	5.7
259.20474	6.0
261.22098	16.6
267.15961	24.1
281.13916	7.6
285.22137	4.2
287.23730	4.1
289.21600	4.8
291.19656	4.5
299.14752	5.4
301.25415	8.6
317.24649	3.7
335.25876	19.9
361.27261	5.1
417.31448	5.1
435.32834	15.8
453.33612	14.1
471.34668	7.4
491.35895	3.8
509.36118	3.9
521.79425	3.4
527.37335	56.4
541.34412	4.3
545.38379	42.3
559.36652	10.1
577.37836	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	577.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01863	6.5
55.05505	41.5
57.03426	13.9
59.04969	3.0
67.05181	5.3
67.05508	77.6
69.07071	24.4
70.62820	7.7
70.63179	5.8
71.05004	16.3
79.05492	67.1
81.03407	20.1
81.07054	100.0
83.04951	6.3
83.08627	23.6
85.06526	15.1
91.05483	57.3
93.07042	67.6
95.04944	13.3
95.08076	4.5
95.08615	72.4
97.06511	9.8
97.10153	14.8
99.08114	4.4
105.07034	50.5
107.04967	5.0
107.08599	47.0
109.06502	4.7
109.10161	29.1
111.08088	7.7
117.00943	3.2
117.07003	19.4
119.08569	49.9
121.10137	28.8
123.08050	4.4
123.11694	14.7
125.09617	11.4
129.07016	11.9
131.08578	38.3
133.10141	29.0
135.08017	4.8
135.11676	15.4
139.11101	4.4
141.07072	3.1
142.07709	5.9
143.08549	15.2
145.10129	28.5
147.11710	20.9
149.09576	4.0
149.13239	9.0
155.08627	7.1
157.10086	12.4
159.11687	24.0
161.13287	17.3
163.14865	4.3
169.10126	9.7
171.11697	10.3
173.13269	11.9
175.11136	4.2
175.14795	7.4
177.12857	5.6
181.10162	3.8
183.11745	9.9
183.92825	3.3
185.13214	8.3
187.14828	7.3
187.40677	3.8
189.11247	5.6
193.12247	6.3
195.11739	4.2
197.13228	5.3
199.14868	4.5
201.16391	4.0
207.66422	3.3
209.13274	3.9
213.12852	3.2
225.16495	4.5
227.12741	17.8
230.77061	3.2
243.21159	4.7
259.20700	5.7
261.22198	11.7
267.15878	26.2
271.20975	3.8
287.20355	5.2
289.21613	4.3
297.22137	4.9
301.21896	3.0
301.25253	14.2
303.23190	7.7
335.25974	16.7
359.25745	5.3
363.25055	5.9
400.36252	3.9
417.31604	5.6
435.32782	15.8
453.33411	12.7
471.34555	11.7
509.36148	5.6
527.37408	59.5
545.30548	5.2
545.38428	54.6
559.39636	13.0
570.58710	3.7
577.41040	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	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.0
53.03936	7.8
55.01864	9.4
55.05269	3.2
55.05512	45.8
57.03437	11.8
57.07069	5.4
59.05004	2.9
65.03930	5.9
67.05503	91.1
69.03418	4.8
69.07069	25.0
69.98692	8.8
71.04984	4.9
79.05492	55.8
81.03416	5.1
81.07056	100.0
83.04976	9.0
83.08610	25.8
85.06538	6.7
91.05474	53.1
93.06487	3.8
93.07046	63.1
95.04968	8.4
95.08609	65.2
97.02898	4.0
97.06510	4.6
97.10160	28.2
98.21407	4.0
99.00810	9.0
105.04504	2.9
105.07028	46.4
107.04939	6.5
107.08593	41.6
109.02895	14.3
109.06524	6.0
109.10148	36.4
111.04458	5.8
111.08066	7.5
115.05498	3.1
117.07012	20.3
119.08569	27.5
121.06511	5.5
121.10146	21.3
121.33856	2.1
123.08047	5.2
123.11687	18.8
125.09624	21.6
128.06236	4.8
129.06996	9.3
131.08553	28.0
133.06487	2.8
133.10136	53.9
135.07996	5.5
135.10066	2.1
135.11681	18.6
137.09610	3.1
137.13196	3.4
141.07051	2.9
143.08582	13.7
145.06488	2.6
145.10121	22.1
147.11665	16.0
149.09630	2.5
149.13243	15.1
151.11153	7.1
153.09114	2.3
153.12637	2.9
155.08540	6.7
157.10132	9.6
159.11694	14.5
160.71127	2.1
161.09619	20.4
161.13257	10.6
163.11223	5.5
163.14769	5.3
169.10164	5.6
171.08009	4.9
171.10248	3.9
171.11694	11.0
173.09630	4.8
173.13249	15.5
175.14830	4.0
177.16357	4.0
179.10664	6.7
179.14279	2.6
181.10115	3.3
181.12270	2.7
183.11743	4.3
183.51245	2.3
185.13225	6.1
187.11147	2.6
187.14757	5.8
189.09145	7.4
189.11218	12.5
189.12694	2.9
189.16331	2.5
195.11742	2.4
197.11673	3.2
197.13260	6.7
199.14783	4.7
201.16441	2.4
207.09993	2.6
209.13271	3.3
211.14946	2.6
215.17867	2.7
223.14935	3.1
225.11150	17.9
225.16165	2.7
227.12773	16.7
239.17949	3.8
243.12210	3.5
243.21109	5.2
259.20587	9.3
261.22119	35.0
277.21573	8.9
279.23114	6.7
281.13928	5.9
283.15497	3.4
285.22095	2.3
287.23694	7.4
289.21588	2.6
297.22101	3.7
299.14877	28.3
299.20078	4.0
313.21588	3.6
315.23190	20.0
317.24701	4.1
323.23529	2.3
333.24188	7.5
335.25845	31.5
403.29892	3.2
421.30832	13.7
431.29413	4.4
439.32043	9.6
449.30499	15.7
457.32864	9.2
467.31613	27.2
475.33884	3.8
485.32837	24.2
513.35785	18.5
515.37396	4.0
523.33630	3.2
531.36957	14.2
541.35266	46.8
559.36328	49.9
560.36206	2.5
577.37341	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08601	2.2
53.03941	7.6
55.01873	9.4
55.05272	4.1
55.05513	47.0
57.03432	9.4
57.07078	5.0
59.04993	5.1
65.03925	5.9
67.05505	94.3
69.03435	3.4
69.07061	21.2
69.35688	20.3
71.04996	5.1
79.05496	54.1
81.03412	6.7
81.07056	100.0
83.04987	11.1
83.08619	25.3
85.06536	4.4
91.05482	49.2
93.07044	65.2
95.04965	9.7
95.08607	68.7
97.02895	4.7
97.06530	6.9
97.10171	23.8
99.00842	8.0
104.88308	2.7
105.07035	47.8
107.04955	11.0
107.08598	39.9
109.02879	13.9
109.06558	3.2
109.10155	39.4
109.54800	2.8
111.04433	4.9
111.08081	10.5
113.06029	2.4
115.03894	2.8
117.07032	17.2
119.08601	33.0
121.06499	9.7
121.10139	29.2
121.77734	2.5
123.08080	5.4
123.11708	12.2
125.09654	19.2
128.06277	4.5
129.07010	9.3
131.08563	23.1
133.06541	3.3
133.10130	57.2
135.08051	6.0
135.11676	22.9
137.09637	3.2
137.13257	5.6
139.07520	3.2
143.08566	15.2
145.10132	23.3
147.08122	2.8
147.11705	19.6
149.09602	5.3
149.13261	10.5
151.11198	11.6
153.12749	3.7
157.10135	9.9
159.07986	2.9
159.11702	19.1
161.09624	17.4
161.13289	13.4
163.11165	7.4
163.14861	5.0
169.10211	6.5
171.08145	3.9
171.11693	9.9
173.13269	13.6
175.11195	3.2
175.14827	5.0
177.12682	4.0
177.16417	4.0
179.10704	7.1
181.10139	3.9
181.12228	4.6
183.11705	3.4
185.13310	8.6
187.14801	7.0
189.09126	11.2
189.11241	11.5
191.10736	3.9
195.11641	4.1
197.13298	3.6
199.14851	5.8
206.67303	2.4
207.10059	3.2
225.11140	16.0
227.12714	26.0
239.18002	3.0
241.19527	4.9
243.12262	4.7
243.21152	5.8
245.13780	4.0
253.14276	4.7
253.50494	2.7
259.20605	7.3
261.22125	28.3
269.17383	4.4
273.18570	4.4
277.21646	10.3
279.23331	6.9
281.13992	5.1
283.15372	4.1
287.23691	6.1
291.19476	4.7
299.14926	29.2
301.16785	2.5
301.21826	2.8
315.23090	14.8
333.24271	7.0
335.25751	21.5
361.27338	3.2
403.29938	4.6
421.30823	9.0
439.32138	8.1
449.30191	14.5
457.33026	8.2
467.31589	19.5
485.32529	22.4
495.34464	2.9
513.35370	17.8
515.37292	4.5
523.34100	5.2
531.36633	11.6
541.35266	54.5
559.36359	54.1
577.38568	52.4
590.02014	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	577.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
54.85608	2.1
55.01870	10.1
55.05512	53.5
57.03427	8.6
57.07078	4.9
65.03932	5.5
67.05502	88.5
69.03411	5.3
69.07068	28.1
69.98762	4.1
69.99154	3.7
71.05006	5.3
79.05493	58.2
81.03445	3.1
81.07056	100.0
83.04960	10.9
83.08611	27.4
85.06531	3.9
91.05478	47.4
93.07043	63.2
95.04978	7.6
95.08608	56.4
97.02885	4.8
97.06526	7.2
97.10178	24.7
99.00817	6.1
99.08083	3.0
103.05428	3.5
105.07035	43.7
107.04950	7.6
107.08589	39.9
109.02892	11.1
109.06552	5.5
109.10146	32.2
111.04436	5.5
111.08112	6.0
117.07021	17.7
119.08589	31.5
121.06488	6.5
121.10159	23.6
123.04401	3.3
123.08085	7.5
123.11693	13.7
125.09621	16.0
128.06253	3.5
129.07027	10.9
131.08589	21.0
133.06432	2.5
133.10143	42.0
135.08070	6.5
135.11703	22.2
137.09589	4.1
137.13272	4.1
143.08560	15.1
145.06465	3.3
145.10115	19.9
147.08031	3.7
147.11696	17.4
149.02359	13.3
149.03360	2.3
149.07828	2.0
149.09616	4.0
149.13228	13.4
151.11214	5.1
153.12741	3.0
155.08522	4.6
157.10150	12.4
157.56058	2.2
159.08037	2.8
159.11722	15.4
161.09639	13.9
161.13258	11.6
163.11189	6.3
163.14818	5.8
169.10130	6.6
171.07945	4.5
171.11684	8.2
173.13281	12.0
175.14819	4.0
177.16367	3.0
179.10670	7.1
181.10136	2.9
181.12196	4.1
183.11742	9.0
185.09708	2.9
185.13239	5.7
187.14810	5.0
189.09132	6.4
189.11214	11.8
191.10623	4.7
193.04967	6.0
195.11812	2.6
197.13281	5.9
199.14772	3.7
199.62828	2.2
211.14845	2.3
225.11111	13.7
227.12721	16.9
235.14911	2.8
243.21060	5.3
245.13841	2.5
259.20520	6.1
261.22141	27.3
269.17313	3.6
271.20596	2.9
273.18564	3.1
277.21652	6.6
279.23233	6.1
281.13766	3.9
283.15341	4.0
287.23819	7.0
291.19638	7.3
299.14923	25.0
299.20114	3.5
315.23187	14.9
317.24728	3.9
333.24170	6.2
335.25867	24.4
365.24121	3.0
403.29605	3.7
421.30930	10.7
439.31909	6.0
449.30490	8.8
457.33228	3.9
467.31500	18.1
485.32693	21.6
499.88467	2.2
513.35608	20.1
515.37292	2.8
531.37024	15.7
541.35187	46.3
559.27472	2.9
559.36267	45.3
572.95154	2.4
577.13177	9.7
577.37445	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	577.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	3.7
53.03949	8.0
55.01873	8.2
55.05270	3.6
55.05516	47.1
56.28854	1.9
57.03440	10.8
57.07071	4.8
59.04994	4.9
60.40213	1.9
62.46035	1.9
65.03930	5.5
67.05507	92.9
69.03428	5.6
69.07069	25.0
69.50425	4.5
69.50835	8.7
71.04979	5.4
71.07649	2.1
79.05492	54.9
81.03425	5.1
81.07059	100.0
83.04975	7.5
83.08620	26.6
85.06543	5.8
91.05486	53.2
93.07046	58.7
95.04971	7.5
95.07990	3.9
95.08605	75.8
97.02884	3.9
97.06525	9.4
97.10168	27.7
98.20724	4.7
99.00827	9.3
101.90865	2.0
105.07034	48.6
107.04971	10.3
107.08595	51.6
109.02898	15.8
109.06555	5.7
109.10162	42.7
111.04427	6.6
111.08108	9.7
117.07024	17.8
119.08593	26.5
121.06518	5.9
121.10146	28.3
123.04384	3.3
123.08044	3.7
123.11716	18.8
125.09635	22.9
127.07559	2.0
128.06255	3.9
129.07014	11.7
131.08575	26.5
133.06526	4.7
133.10132	45.9
135.08049	3.4
135.11696	23.1
137.09601	2.7
137.13261	6.0
139.07515	2.8
143.08554	15.8
145.06494	4.0
145.10121	19.3
147.08080	5.1
147.11714	16.6
149.13242	12.8
151.11156	9.6
151.14851	3.8
153.12726	3.5
155.08560	4.7
155.28514	2.2
157.10112	10.1
159.08005	2.8
159.11681	11.8
161.09641	17.8
161.13222	10.0
163.11197	5.1
163.14833	6.7
169.10146	6.2
171.08046	5.4
171.10268	2.3
171.11702	7.2
173.09615	3.7
173.13232	13.0
174.95869	2.3
175.14819	4.9
179.10687	7.1
181.10202	3.2
181.12202	3.9
183.11710	6.3
185.13261	8.4
187.14824	5.1
189.09247	9.7
189.11156	10.9
195.11723	3.7
197.13293	6.3
199.14851	3.6
201.16443	2.7
207.10254	4.0
209.13330	2.9
211.14902	4.3
213.16350	3.1
221.13315	2.2
225.11253	21.0
227.12776	18.7
235.14877	3.8
241.19536	3.6
243.12302	5.8
243.21075	6.6
245.13811	3.3
249.46245	2.1
251.17798	2.3
259.20535	6.1
261.22131	28.2
277.21674	10.1
279.23215	8.0
281.13956	5.0
281.18970	2.5
283.15540	4.6
287.23685	9.8
289.21649	2.9
297.22275	4.5
299.14890	41.4
301.16580	3.0
313.21313	2.7
315.23251	16.9
317.24783	3.7
327.23312	2.2
333.24280	6.3
335.25848	27.1
403.29977	4.5
421.31256	11.4
423.32529	2.4
439.32034	7.1
449.30460	10.9
457.33228	8.1
467.31503	24.9
475.33923	3.1
485.32608	16.8
495.34766	3.1
503.33646	2.9
513.35651	17.1
515.37299	4.8
523.33875	3.1
531.36841	23.0
541.35260	53.2
542.35553	2.6
559.36249	45.4
577.37201	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	577.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.40178	0.3
55.01857	0.5
56.92089	0.3
57.03419	0.5
65.03929	0.9
66.92524	0.4
67.05506	0.7
68.99783	0.8
69.03448	0.8
70.06586	2.1
70.93987	0.6
71.04972	0.7
72.08144	1.0
73.02517	0.5
73.02920	8.1
73.74320	0.3
77.93418	0.3
81.03409	1.1
84.04498	0.5
84.08120	1.4
85.02914	2.0
86.06046	0.4
86.09706	1.6
87.04450	1.1
91.05476	0.7
93.03423	0.8
95.04951	0.6
99.04437	1.1
100.51356	0.4
105.03367	0.8
105.06982	0.4
107.04976	0.9
109.02869	1.0
111.00755	0.5
111.04450	1.7
117.05527	0.5
119.04926	1.7
120.08131	0.5
121.02872	4.5
123.04446	7.1
127.03110	0.5
127.03922	3.1
129.10229	0.6
133.02834	0.3
133.10143	0.5
135.04422	5.8
137.02361	0.8
137.05978	1.1
139.03918	3.6
141.01804	0.4
145.02818	1.8
146.06015	0.5
147.04385	1.1
149.02325	1.6
151.03874	1.5
159.09171	0.4
163.03906	5.8
165.01845	3.7
165.05507	0.4
167.03433	2.8
175.03952	0.5
177.01837	1.3
177.05476	0.7
179.03429	0.9
181.05019	0.7
183.02882	1.0
185.05849	0.4
187.03908	1.0
189.01823	0.8
191.03394	1.1
195.02846	1.7
197.06038	0.5
201.05527	0.8
203.03419	1.2
205.05045	0.6
215.03407	0.5
229.04926	1.8
239.07048	1.0
241.04964	0.6
243.02885	0.6
245.04503	1.1
247.05977	2.5
255.06404	0.7
256.07388	1.0
257.04578	0.8
259.06140	0.5
261.03983	0.4
261.07504	0.4
264.01855	0.4
267.06534	8.1
269.04520	0.4
270.05182	2.1
271.06018	7.5
279.06442	0.6
281.08115	4.5
283.06012	30.2
284.06757	9.7
285.07474	1.0
287.05542	2.1
289.06995	0.9
294.05255	0.5
295.06033	12.0
295.09396	0.8
297.07526	1.5
299.05539	1.2
301.07068	0.6
305.08118	0.9
307.06107	1.3
308.06726	0.8
309.04233	0.5
309.07544	12.9
311.05475	1.0
313.07062	100.0
314.07385	1.2
321.07715	1.2
323.05664	0.9
323.09140	4.9
325.07098	1.5
333.07617	1.4
335.05563	0.5
335.09015	0.5
337.07053	21.4
341.06985	0.6
349.07074	4.2
351.08649	1.1
353.06464	0.5
361.07068	3.2
367.08121	6.8
379.08154	7.1
389.05707	0.4
391.08286	0.5
393.09717	0.8
397.09241	7.2
403.08234	0.5
407.07639	1.3
409.09067	1.3
415.10211	11.2
421.09140	0.6
425.08603	0.5
433.11249	7.3
439.10300	1.3
457.11246	4.9
471.19800	0.4
481.11139	0.5
541.13171	1.1
559.13818	0.8
577.15314	6.3
577.23065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52834	0.8
55.01859	1.7
57.03421	2.8
57.64933	0.8
61.02903	2.2
65.03924	1.8
68.99787	1.0
69.03422	1.0
70.06580	0.9
70.47841	1.8
70.48183	1.5
73.02902	1.4
73.99287	0.9
81.03427	2.2
85.02900	6.6
91.05466	1.6
93.03400	1.9
95.04967	0.8
103.03928	2.3
105.07027	1.2
107.04949	3.4
109.02878	2.8
119.04942	9.8
119.19773	0.8
121.02866	40.9
121.06499	1.1
123.04460	0.9
131.04944	1.6
131.55524	0.8
135.33185	0.9
145.02837	3.7
147.04402	1.4
159.04411	2.6
161.02330	1.9
161.05940	1.2
163.03897	2.8
165.01878	1.9
171.04439	1.5
173.02275	0.8
173.05901	1.0
175.03914	2.9
177.01778	6.5
177.05469	1.4
179.03404	2.5
183.04419	1.0
185.05882	1.5
187.03920	3.0
189.01810	9.5
189.05411	1.5
190.02582	2.1
191.03398	3.6
195.02841	6.1
199.03912	1.1
200.04631	1.1
200.46370	1.0
201.01888	1.6
201.05479	2.3
203.03386	23.1
205.04994	2.3
207.02924	6.7
211.03983	2.1
213.05359	1.3
215.03450	4.5
217.04950	6.8
219.02885	2.1
219.06381	1.8
221.04407	2.9
225.05577	1.2
227.03346	3.2
229.04996	5.7
231.02783	2.0
233.04419	2.8
239.03369	1.7
241.04883	1.6
243.02888	3.3
243.06572	2.1
245.04402	1.7
247.05879	1.2
251.06937	1.0
253.04965	1.5
255.02924	5.2
255.06497	1.1
257.04419	3.0
267.03055	1.8
267.06555	3.5
268.07166	4.3
269.04517	1.2
269.07904	1.2
271.05972	1.5
273.03867	1.8
279.06534	7.1
280.07294	1.9
281.04361	1.6
281.08017	1.4
282.05353	1.6
283.05963	9.7
284.06821	1.9
285.03894	3.0
291.06650	1.2
292.07220	1.5
293.07974	6.4
294.05179	7.3
294.08682	2.5
295.06000	100.0
295.09219	3.7
296.06726	8.7
297.07535	9.6
304.07111	1.8
305.08041	2.4
306.08820	1.7
307.06003	47.5
307.09222	1.9
308.06790	21.7
309.03860	2.3
309.07510	12.5
313.07053	3.8
313.46515	1.0
317.08167	2.6
319.06088	3.2
319.09561	1.8
320.06723	4.9
321.07578	44.4
322.04480	1.4
322.08295	16.9
323.05371	4.5
323.09134	7.8
325.07047	87.4
326.07071	1.4
329.08047	2.2
332.06754	1.4
333.07654	14.5
334.08179	2.8
335.05402	2.5
335.09082	21.8
336.06235	3.2
336.09872	1.3
337.07031	28.1
337.10666	1.5
339.08594	2.1
345.07584	6.0
346.08337	2.8
347.05032	1.0
347.09125	15.3
348.06207	1.0
349.07065	42.3
349.10651	1.7
350.07608	2.6
351.04480	2.4
351.08627	33.6
355.08023	1.1
357.07523	3.3
359.09055	2.1
361.06992	24.1
361.10828	2.9
363.08673	9.4
365.06464	1.6
365.10269	10.9
367.07980	3.3
371.08878	1.0
373.07053	8.9
374.07895	1.8
375.08640	15.1
377.06439	2.1
379.08102	71.9
380.08411	1.1
385.06848	6.7
387.08463	5.2
389.05869	1.6
389.06839	1.0
389.10190	5.1
391.08127	28.8
393.09650	2.3
397.09222	1.6
399.08539	2.5
401.10547	4.0
403.08066	29.8
405.09628	1.4
409.09167	48.7
415.07834	5.1
417.09680	2.9
421.09137	25.0
427.10251	53.5
428.10556	1.4
431.11258	1.8
433.09100	5.8
439.10245	30.2
440.10284	1.0
445.09561	8.0
449.12357	1.0
457.11301	77.5
458.11823	2.1
459.10632	1.3
463.10187	11.2
469.09308	2.0
475.10168	4.7
477.12830	1.1
481.11298	53.4
487.10242	4.0
493.10855	4.3
499.12311	29.9
500.12686	1.1
505.11130	10.1
511.04901	1.6
511.12369	26.3
523.12341	31.2
529.13330	8.0
541.13397	33.7
542.12897	0.9
559.14423	28.6
559.90942	0.9
577.15375	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	576.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.05508	24.6
57.03434	18.5
62.52650	3.7
62.72126	4.1
67.05506	25.7
69.07069	9.4
71.50134	6.4
79.05505	22.0
81.03415	72.2
81.07050	41.0
82.07362	4.1
83.04971	11.2
83.08605	26.0
84.08132	4.0
85.02838	4.7
86.09698	14.3
91.05476	45.8
93.07023	22.6
95.04966	24.2
95.08608	9.6
97.02882	6.1
97.06548	5.6
97.10182	9.3
99.00850	9.5
105.07014	25.3
107.04967	13.2
107.08617	12.7
109.02880	12.6
109.06499	4.6
109.10139	11.0
111.08089	9.6
119.08598	18.8
121.06518	10.1
121.10149	8.4
123.04435	4.9
124.99982	8.9
125.09625	4.7
129.06998	13.6
131.08562	13.7
133.10110	31.4
135.08092	6.1
139.71193	4.6
143.08626	6.2
147.11713	4.7
149.09515	5.5
151.11198	8.7
157.10117	6.9
161.09621	15.7
171.08090	3.6
175.11206	10.2
179.10678	8.3
184.07320	34.9
189.09193	7.8
189.11148	5.5
193.12173	21.8
207.10271	4.2
216.56242	3.5
219.13733	7.1
225.11241	9.3
267.15921	100.0
293.17328	4.2
299.14896	70.8
305.48679	4.0
367.23178	6.4
445.25922	9.5
459.27246	10.5
463.26810	4.3
473.25357	16.6
477.28082	6.8
491.26306	73.6
576.36450	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	575.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98794	1.2
53.03940	4.6
55.01851	1.5
55.05511	46.4
57.07076	64.6
65.03938	2.4
65.20292	1.2
67.05505	79.0
67.22808	1.3
68.05835	1.9
69.07068	74.4
71.04980	2.8
71.08633	42.7
71.50425	1.8
71.63895	1.3
73.94580	1.3
79.05494	23.5
81.07055	99.6
82.07367	2.8
83.04962	1.7
83.08617	55.0
84.08952	1.3
85.06533	2.0
85.10181	22.0
87.04462	5.3
91.05474	10.8
92.49581	1.3
93.07039	19.7
95.05022	2.0
95.08608	100.0
96.08920	1.5
97.06555	3.1
97.10165	40.8
99.11749	2.0
105.07043	9.5
106.07336	1.5
107.08591	18.3
109.10152	51.1
111.08061	1.3
111.11723	20.6
119.08585	7.2
121.10126	12.3
123.11713	20.2
125.13266	9.0
127.76424	1.3
131.08603	3.8
133.10156	6.4
135.11711	9.0
137.13272	8.6
139.14836	2.1
143.08594	1.4
145.10135	4.5
147.08124	1.6
147.11699	4.5
148.36978	1.4
149.09659	1.4
149.13252	5.9
151.14827	4.1
153.16429	1.6
157.10103	2.3
159.11761	2.8
161.13289	3.9
163.14832	2.5
165.16434	4.0
173.13251	1.4
175.14897	3.1
177.16426	2.3
179.17911	1.4
185.13416	1.5
187.14905	2.4
189.16364	1.8
191.17934	1.3
199.14833	2.1
201.16423	2.3
239.23779	4.7
252.72264	1.3
263.23813	3.7
265.25293	2.5
306.20203	1.3
482.39786	2.8
557.60046	5.1
575.50299	83.5
575.60602	3.9
576.51050	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	575.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.6
54.60106	2.1
55.01641	2.3
55.01875	17.2
55.05244	2.9
55.05512	56.7
57.03425	9.1
57.07068	9.1
57.48383	2.4
59.04986	4.0
61.02924	6.1
65.03928	5.8
67.05507	100.0
69.03423	10.6
69.07067	44.6
69.82533	7.0
69.82932	5.0
70.06598	5.9
70.70588	2.8
71.04990	16.5
73.00661	2.3
79.05492	85.6
81.03419	25.4
81.07056	91.5
81.07533	5.8
82.07357	4.4
83.04994	15.9
83.08621	34.4
85.02895	11.4
85.06537	9.4
91.03953	4.0
91.05484	77.6
93.07043	85.8
95.04961	19.4
95.08611	72.0
96.08909	3.9
97.02887	6.1
97.06528	11.8
97.10172	25.1
99.08101	6.8
105.04572	2.6
105.07030	72.0
107.04944	16.7
107.08601	48.0
108.08911	2.6
109.06511	10.7
109.10159	31.2
111.04408	5.5
111.08068	9.4
115.05465	3.4
117.07018	27.6
118.16145	2.5
119.08588	44.2
121.06529	14.0
121.10149	29.8
123.08041	12.4
123.11721	5.6
125.09612	16.6
127.55249	2.3
128.06216	5.8
129.07034	24.6
131.08565	46.6
133.06503	7.4
133.10132	33.3
135.08063	11.0
135.11717	12.3
137.09642	6.0
139.07535	3.1
139.11154	3.4
141.07016	6.9
142.07791	3.6
143.08534	26.6
145.06490	3.5
145.10136	41.5
147.08032	7.8
147.09166	2.8
147.11682	17.0
149.09598	12.1
149.13260	7.2
151.11143	4.8
153.09006	2.9
155.08575	13.2
156.09363	5.5
157.10120	30.2
159.08034	7.3
159.11684	21.4
161.09621	6.4
161.13266	8.6
163.11188	12.7
165.12856	4.2
167.08546	5.4
167.10686	3.9
168.15430	2.6
169.10141	18.5
171.08006	3.9
171.10379	4.7
171.11668	19.9
173.09630	9.6
173.11882	3.1
173.13271	16.2
175.11176	10.5
175.14821	3.3
177.12729	4.7
179.14369	3.6
181.10124	8.5
183.11722	11.9
184.07321	4.4
185.13264	10.6
187.11127	5.1
187.14871	7.4
189.11177	11.7
189.12714	4.6
193.10229	3.5
193.12231	13.3
195.11697	10.5
195.17424	2.4
197.13225	12.6
199.14877	6.4
201.12733	3.3
207.11700	4.1
209.13268	7.6
211.11540	2.6
211.13313	12.2
211.15019	3.9
213.16443	3.0
217.15862	2.6
223.13068	4.5
223.15030	6.1
225.16397	2.8
227.12817	23.4
237.16353	4.2
243.15935	2.7
253.14200	5.3
266.19580	2.5
267.15909	9.7
271.20691	3.6
273.18753	14.3
275.20065	8.5
276.20673	2.8
281.93878	2.5
283.15323	5.5
285.22177	7.6
287.19864	4.8
291.19598	35.1
292.19775	4.4
299.23746	9.4
309.21857	3.0
321.22351	3.3
325.21869	3.3
347.22037	2.9
365.23233	5.1
404.57681	2.8
415.29749	7.6
421.25760	8.2
433.31085	15.8
451.31906	17.5
469.32877	9.5
499.33322	3.5
507.34656	8.4
517.35498	18.5
525.35846	48.5
543.36798	53.5
557.38531	20.0
566.52875	2.7
575.36603	37.8
575.49951	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	575.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37604	0.1
61.67389	0.1
62.16055	0.1
69.34741	1.1
70.06596	0.2
72.08155	0.6
84.08124	0.1
86.09705	0.5
89.06048	0.4
91.05497	0.2
91.99084	0.2
103.05469	0.2
115.05471	0.4
117.07024	1.8
123.04472	0.6
132.08119	0.3
133.08568	0.2
139.03914	0.2
143.07329	0.9
144.08090	100.0
145.06534	0.1
145.08455	1.1
146.06041	0.2
155.06073	0.4
161.10748	20.1
162.11116	0.2
163.03888	0.3
179.03365	0.1
187.03831	0.2
195.12213	0.4
253.16446	1.0
272.12424	0.1
321.14127	0.2
395.07654	0.2
487.65906	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	575.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.01886	18.5
55.05274	5.5
55.05517	66.3
56.89857	3.6
57.03425	16.1
57.07062	11.0
65.03941	4.4
65.54633	3.1
66.39723	3.8
66.66342	3.3
67.05504	91.8
69.03448	8.1
69.07074	48.8
70.06593	4.4
71.04982	11.7
75.41707	3.2
79.05075	6.0
79.05499	84.5
81.03425	38.6
81.07063	100.0
83.04987	17.6
83.08630	36.6
85.02920	5.2
85.06538	9.3
91.05487	96.2
93.06499	5.1
93.07051	70.2
95.04984	27.5
95.08614	59.9
97.02889	7.9
97.06524	16.4
97.10175	26.6
98.20689	5.6
99.00793	6.8
103.05472	4.8
105.04475	5.3
105.07042	99.0
107.04974	20.3
107.08596	52.3
109.02899	18.8
109.06512	15.4
109.10171	24.3
111.08065	10.2
111.11685	3.7
115.05489	7.1
117.07049	27.2
119.04943	4.4
119.08585	59.8
119.09402	6.9
121.06456	17.1
121.10135	30.6
123.04496	5.7
123.08059	8.5
123.11687	10.7
125.09641	18.1
129.07025	20.8
131.08580	45.1
133.06477	9.0
133.10135	70.7
135.08089	11.0
135.11685	16.6
137.09628	8.3
139.11250	5.7
141.06967	8.3
143.08566	20.2
145.10133	34.4
147.08057	14.5
147.11710	32.5
149.09633	12.6
149.13260	5.7
151.11183	13.7
153.09081	6.6
155.08559	10.2
157.10127	21.5
159.08128	4.1
159.11690	25.1
161.09622	24.9
161.13243	23.7
163.11180	13.5
169.10107	11.4
171.07986	6.2
171.11664	19.4
173.09641	6.5
173.13245	13.2
175.11214	7.5
175.14819	11.6
177.12704	6.5
179.10709	8.2
181.10123	6.0
183.11700	8.9
185.09657	5.3
185.13297	15.2
187.11163	5.9
187.14825	9.2
189.09093	6.9
189.11211	7.7
189.12730	6.0
193.12213	13.7
195.11740	6.1
195.13687	6.0
197.09619	4.1
197.13324	8.8
199.14856	6.2
215.18024	4.0
219.13814	6.5
223.13232	5.8
225.11238	10.9
227.12733	13.4
229.19507	4.9
231.21219	5.5
239.18059	3.8
241.19536	21.4
245.19052	6.6
253.14224	11.4
257.18994	6.8
259.20612	51.1
267.15961	23.7
273.18542	26.4
275.20129	25.7
277.21567	6.3
281.13977	5.7
285.21930	4.8
291.19644	38.3
299.14804	33.3
313.21588	11.8
333.24274	19.9
365.23260	8.5
403.24512	8.3
419.29355	4.9
421.25610	6.4
437.30487	10.2
447.28842	15.1
465.30109	26.9
483.31229	26.6
511.34000	10.7
525.35333	4.4
529.35388	18.0
539.33789	39.4
543.36884	6.0
557.34735	62.2
575.35791	35.4
575.50049	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	573.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03948	8.5
55.01875	52.9
55.05511	18.8
57.03425	5.1
57.07074	7.6
59.04995	2.2
65.03921	3.3
67.05506	65.4
69.03416	2.3
69.07071	28.2
70.58630	4.5
71.04981	3.3
71.05713	1.5
71.08622	3.5
79.05495	64.6
81.03422	13.0
81.07055	53.0
83.04982	14.2
83.08617	9.3
85.06527	2.7
85.10179	2.9
87.04517	1.4
89.06046	2.8
91.05484	69.1
93.07045	58.5
93.07641	2.7
95.01299	3.9
95.04974	18.4
95.08608	39.1
97.06533	78.4
97.10148	3.9
98.21368	1.8
103.05460	2.6
105.04495	2.7
105.07034	65.2
107.04955	22.6
107.08601	22.3
109.06522	7.9
109.10155	18.1
111.08120	3.3
113.09651	1.7
114.00681	1.5
115.05426	1.6
115.32130	1.5
117.07016	16.9
119.08589	37.5
121.06510	5.7
121.10156	10.9
123.04430	3.6
123.08069	10.2
123.11692	4.2
125.09628	3.2
128.06194	3.8
129.06992	9.7
131.08583	17.3
133.10139	31.3
135.08075	4.1
135.11690	10.5
137.09622	5.0
139.07556	2.4
143.08572	7.2
145.06415	2.8
145.10121	17.4
147.08025	3.0
147.11697	28.0
149.09634	13.1
149.13231	4.3
151.11234	3.3
155.01021	1.5
157.10159	3.4
159.11703	12.1
161.09645	3.6
161.13264	10.4
163.11197	10.0
165.09119	5.0
165.12788	2.1
169.10086	2.8
171.11670	16.5
173.13269	6.0
175.11041	1.6
177.12628	2.7
179.14305	11.4
183.11725	3.2
187.11238	2.2
189.12701	8.6
193.12202	1.8
207.13834	14.0
239.17924	2.7
247.20569	3.9
253.14278	1.8
257.18970	5.8
261.22226	2.0
275.20068	100.0
279.15833	3.3
281.17499	41.1
293.21155	9.8
313.27454	7.2
349.23795	21.5
384.24698	2.0
555.36896	41.7
573.39050	2.5
573.48572	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60845	2.4
53.03935	11.6
55.01862	12.5
55.05273	4.0
55.05511	47.5
57.03441	11.9
57.07072	9.4
59.05002	3.1
65.03921	4.1
67.05505	91.8
69.03418	9.2
69.07069	29.1
70.06573	3.2
71.04982	5.8
71.08620	2.4
71.48995	4.4
71.49403	3.6
79.05493	100.0
81.03416	19.4
81.07057	95.1
81.07533	5.3
83.04969	17.4
83.08602	23.1
85.02914	3.3
85.06533	5.7
87.93368	2.5
91.05480	86.3
93.07039	78.4
95.04963	29.4
95.08609	51.7
97.02898	2.6
97.06513	18.2
97.10161	19.5
103.05458	4.4
105.04517	4.8
105.06315	4.6
105.07030	72.2
107.04948	26.5
107.08594	44.4
109.02897	3.6
109.06508	20.9
109.10161	24.2
111.08072	7.0
115.05488	5.0
117.07002	24.3
119.08580	54.7
121.06502	9.2
121.10138	24.3
123.04389	6.4
123.08067	11.9
123.11707	3.7
125.09622	13.5
128.06195	7.0
129.07018	22.3
130.07851	3.0
131.08572	24.1
133.06461	2.8
133.10135	37.5
135.08032	9.9
135.11684	11.3
137.09587	5.5
139.11174	2.8
141.06973	5.2
142.07713	3.4
143.08589	16.0
145.06505	2.7
145.10121	28.2
147.08040	5.4
147.11685	38.0
147.14693	2.7
149.09634	19.0
149.13234	5.9
151.11186	2.7
155.08557	4.0
157.10107	8.9
159.08040	6.7
159.11690	13.6
161.09625	7.6
161.13225	12.7
163.11188	13.8
165.09167	2.7
165.12822	3.6
167.28163	2.4
169.04192	2.6
169.10141	7.6
171.08109	2.7
171.10265	3.8
171.11676	25.7
173.09718	5.8
173.13249	6.9
175.11206	5.0
183.11676	3.9
187.11264	5.0
189.11250	9.0
189.12740	6.1
193.12238	7.2
195.11627	3.0
197.13405	3.2
199.14751	3.1
201.12825	3.6
201.14850	7.2
207.13753	17.6
227.12723	14.1
229.19456	3.0
239.17982	4.6
241.14093	2.9
247.20625	3.3
257.19003	12.8
267.15924	8.9
271.16962	5.3
273.18524	4.7
275.20068	69.1
281.17465	29.9
289.17944	6.9
291.19498	5.7
293.21051	5.1
349.23761	16.3
393.26361	3.4
463.97919	2.7
529.31525	3.4
555.37354	23.0
573.34589	19.0
573.48657	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	573.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.8
55.01875	48.5
55.05512	42.6
57.03429	11.3
57.07074	7.6
59.65577	2.5
65.03931	6.4
67.05507	99.8
69.07076	39.8
71.04987	7.5
71.08631	5.7
71.50652	4.5
72.68477	2.5
79.05494	94.0
81.03408	13.7
81.07056	95.6
83.04978	17.5
83.08619	17.3
85.02919	5.5
85.06528	4.2
91.05484	92.9
93.07045	81.9
95.01315	4.0
95.04964	20.0
95.08604	50.8
97.06532	68.2
97.10149	10.4
103.05484	3.4
105.04523	3.9
105.06327	4.4
105.07030	83.9
107.04950	22.8
107.08606	40.9
109.06531	12.5
109.10155	27.1
111.08095	4.9
115.05478	3.4
117.07027	26.9
119.08588	63.1
121.06515	7.4
121.10133	17.8
123.08070	11.5
123.11713	4.3
125.09638	8.2
128.06229	5.6
129.07019	21.0
130.08632	3.9
131.08546	28.8
132.99553	3.8
133.06467	5.9
133.10138	46.3
135.08041	6.5
135.11705	12.0
137.09578	6.7
139.07565	3.7
143.08569	12.8
145.06474	4.0
145.10129	28.3
147.07983	5.3
147.11681	40.1
149.09653	17.5
151.11226	9.8
155.08560	6.0
157.10132	6.7
159.08038	3.4
159.11720	18.2
161.09676	5.8
161.13242	13.7
163.11195	14.3
169.10136	6.1
171.11679	20.7
173.13228	6.6
175.11148	4.4
177.12746	3.7
179.14330	8.1
183.11674	6.4
187.11185	7.1
187.14732	3.8
189.12740	9.0
195.11714	4.0
197.13344	7.4
207.13754	14.0
227.12711	4.0
231.21007	3.2
239.17876	3.3
240.91968	3.1
247.20663	5.1
257.19034	9.7
275.20084	100.0
279.15939	3.9
281.17450	47.1
291.19479	5.7
293.21149	17.7
327.23172	4.1
349.23633	24.1
361.41666	3.7
386.30768	3.2
465.55853	3.3
470.52664	3.6
475.30249	5.4
480.39981	3.0
499.08682	3.3
555.36902	46.2
573.37445	23.2
573.48724	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	573.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01874	58.9
55.05512	22.6
57.03438	6.3
57.07073	4.5
60.96015	1.1
65.03931	3.8
67.05508	54.7
68.56460	1.2
69.03432	1.5
69.07071	28.4
69.22527	9.0
71.04983	3.6
71.08620	2.1
77.03916	1.5
78.34100	1.0
79.05494	65.6
79.10328	1.0
81.03413	9.7
81.07056	54.7
83.04981	13.4
83.08623	8.8
85.06533	1.9
85.10153	1.2
87.04421	1.3
91.05484	63.9
93.07045	52.5
93.07639	1.6
95.01327	5.4
95.04971	15.5
95.08610	38.4
97.06532	90.0
97.10165	4.1
103.05476	2.1
105.04528	2.7
105.07033	64.0
107.04959	25.8
107.08585	17.2
109.06514	4.5
109.10151	13.1
111.08089	3.3
115.05450	1.8
117.07014	18.3
119.08578	31.3
121.06493	5.1
121.10161	7.9
123.04505	2.7
123.08062	7.1
123.11703	2.0
125.09609	2.0
128.06238	1.6
129.06987	9.0
130.07782	2.0
131.08565	18.3
133.06490	1.7
133.09134	1.6
133.10132	28.6
135.08092	3.1
135.11684	7.7
137.09622	3.2
139.07552	3.6
141.06998	3.0
142.74066	1.2
143.08557	7.4
145.06517	2.1
145.10126	15.9
147.08032	1.7
147.11691	28.5
149.09610	20.0
149.13258	4.1
151.11177	3.9
155.08614	1.7
157.10188	2.2
159.11710	11.0
161.09625	3.6
161.13266	10.5
163.11174	15.6
165.09074	3.6
165.30710	1.0
169.10088	2.5
171.11681	15.2
173.13266	6.3
175.11188	1.4
177.12801	4.3
179.14279	11.5
183.11722	3.1
185.13307	1.4
187.11203	3.7
187.14813	1.9
189.12823	6.4
197.13232	2.0
205.12300	2.0
207.13838	12.2
208.06563	1.2
215.14305	1.3
215.17950	1.5
219.13823	1.4
229.19524	1.9
239.17911	3.2
241.12593	1.2
247.20647	4.5
257.19028	8.6
275.20065	100.0
276.20313	2.0
279.15945	2.4
281.17493	44.7
293.21094	12.0
313.27322	1.9
349.23721	24.8
377.23145	2.9
380.04681	1.3
459.31125	1.5
537.35907	1.7
555.36792	37.8
573.37598	4.6
573.48871	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01871	2.1
55.05510	7.1
56.05839	1.5
57.07077	46.7
59.05004	17.6
67.05506	13.8
68.05822	2.6
69.03424	1.7
69.07066	9.7
71.08632	88.8
73.06548	3.0
78.60880	1.0
79.05495	16.0
80.05820	3.8
81.03418	1.3
81.07056	11.9
82.07384	2.3
83.04979	3.3
83.08632	3.2
83.77219	0.9
85.06528	1.0
85.09660	2.1
85.10181	52.0
87.04472	9.6
89.06033	100.0
91.05479	10.7
91.07578	1.0
92.05818	3.8
93.07046	10.8
94.07350	1.8
95.04960	5.5
95.08618	6.1
96.05289	1.7
96.08911	2.2
97.02895	2.2
97.06522	2.0
97.10184	4.0
98.21535	2.2
103.07584	5.5
105.07034	6.6
106.07387	3.6
107.04955	3.9
107.07088	2.2
107.08599	5.1
107.17631	1.0
108.08923	1.0
109.06524	1.4
109.10165	2.4
112.42798	1.1
117.07050	2.5
117.09143	2.0
118.07375	1.1
119.08578	5.6
120.08879	2.1
121.10147	2.4
123.08076	1.4
125.09620	1.9
127.14809	5.7
129.07036	2.3
130.08688	1.2
131.07050	4.8
131.08574	2.7
133.08607	70.6
133.10205	2.2
135.08092	1.1
135.11703	1.2
141.16440	1.0
145.10146	2.3
147.08064	1.6
147.11681	3.8
161.09692	1.5
171.11734	4.1
172.12096	1.3
175.09741	4.7
175.11089	1.0
177.11220	32.4
177.12692	2.0
185.19061	7.8
189.12741	1.2
190.13141	1.2
207.13853	1.8
221.13899	4.5
223.13358	2.7
224.13742	1.7
229.21570	5.2
239.15005	1.0
250.79126	1.1
265.16577	2.2
271.91589	1.0
273.18478	3.0
274.18878	3.9
283.17477	1.8
291.19568	11.1
292.19864	12.7
309.19092	1.3
327.20178	2.8
371.22821	16.6
411.25809	1.2
415.25662	2.2
417.46375	1.0
555.41205	3.8
572.36652	40.5
572.43622	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30800	1.0
53.06285	1.2
55.05496	3.9
57.03441	3.1
57.07080	100.0
58.04215	6.3
59.05008	33.6
67.05485	1.5
69.07073	5.7
69.30695	9.5
71.04971	1.2
71.08636	69.1
72.05771	5.0
73.02911	3.0
73.06542	4.0
79.05502	1.9
79.08419	1.3
81.07050	4.1
82.07826	1.6
83.08614	4.8
85.10189	54.7
86.07315	2.5
87.04458	5.6
87.08120	2.1
89.06038	10.6
90.01926	24.4
91.05491	1.4
93.07012	1.5
95.08649	2.5
97.10177	4.2
99.11745	11.2
101.06011	2.1
101.09611	1.6
103.07587	5.9
104.43247	1.2
105.07055	2.8
108.65331	1.1
109.10132	2.1
111.11755	1.6
113.13300	3.4
117.09155	9.7
119.08580	1.5
121.10169	1.2
130.09866	1.4
133.08586	4.8
145.10098	1.3
147.10156	1.4
152.15610	2.1
155.17990	6.8
178.07092	5.3
179.12749	2.2
183.17493	2.4
186.41492	1.2
208.15402	1.4
209.13953	1.8
212.21416	2.4
213.22130	10.7
217.08212	1.4
222.09714	3.5
224.87804	1.1
234.89836	1.3
237.16965	1.9
238.55185	1.3
248.87907	1.8
257.25192	1.1
266.12390	2.5
267.17938	1.4
271.26428	6.3
276.90991	4.1
283.45444	1.2
284.13327	3.6
318.91971	1.5
331.93088	1.4
342.17630	1.6
420.36816	4.8
484.46652	1.2
519.06366	1.3
547.89337	2.1
565.90918	5.7
566.90668	2.3
570.56708	1.4
571.48090	2.0
571.56256	1.3
573.88782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.1
57.03424	4.1
57.07077	100.0
57.57194	1.2
58.04224	7.1
59.04720	3.0
59.05003	55.6
64.81992	1.4
66.15433	1.3
67.05489	6.2
69.07067	7.2
71.06172	2.8
71.08633	99.4
72.05772	4.1
72.45718	1.5
73.02926	2.4
73.06538	5.2
79.05498	3.5
81.07050	5.9
82.07828	1.9
83.08633	8.0
85.10182	94.7
86.07333	2.6
87.04466	9.7
87.08096	3.5
89.06024	15.1
90.01917	25.7
91.05461	4.5
93.07045	5.6
95.08602	4.3
97.10153	4.1
99.11724	8.4
100.08875	2.5
101.06001	3.7
101.09639	4.6
102.05530	1.3
103.07564	3.6
104.01566	1.4
105.07015	2.3
107.08572	3.8
109.10146	1.9
111.11723	1.6
115.07581	3.1
116.08382	2.7
117.09135	14.7
119.08550	2.7
121.10154	2.5
127.49467	1.5
131.08580	2.8
133.08615	5.3
133.10147	1.6
138.13982	4.1
141.16376	8.5
145.10078	1.6
147.10147	1.6
169.15889	3.9
177.11209	1.9
193.14381	2.7
198.19852	1.7
199.20592	16.9
221.15379	2.1
222.09729	6.3
234.89687	1.8
240.10881	3.5
248.87846	1.5
257.24744	16.3
276.90936	4.6
281.19498	1.6
366.39255	1.6
416.80673	1.7
420.36783	5.9
565.91162	11.8
566.91296	3.6
571.46997	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
53.03950	4.9
55.01870	6.9
55.05511	20.3
57.03437	2.6
57.07060	1.2
57.99251	0.5
59.04982	0.6
63.82373	0.6
65.03928	2.9
67.05506	40.0
69.03429	5.0
69.07069	22.6
69.28267	3.8
71.05019	2.6
71.05325	0.6
71.08614	0.5
73.06538	0.5
77.03912	1.0
79.05493	41.1
81.03418	5.4
81.07058	29.5
81.95803	0.5
83.04514	0.4
83.04983	7.7
83.08626	7.1
84.08126	0.5
85.02911	0.7
85.06515	1.5
89.05983	0.5
91.05482	34.5
93.07045	29.7
95.01332	0.7
95.04971	14.0
95.08607	18.7
97.02904	5.8
97.06541	4.7
97.09657	0.6
97.10175	8.8
99.08150	0.6
103.05438	1.0
105.03416	0.8
105.04478	2.0
105.07033	26.5
107.04961	9.8
107.07895	1.1
107.08595	15.2
109.06525	4.9
109.10158	8.1
111.04419	0.7
111.08044	2.2
115.05415	1.9
117.07008	10.1
119.04914	1.6
119.08585	18.3
120.05714	1.0
120.55755	0.6
121.06502	4.0
121.10157	4.4
123.04411	0.6
123.08067	5.2
123.11677	0.8
125.06004	0.5
125.09627	5.0
128.06195	2.6
129.05513	0.7
129.07001	9.1
130.07811	1.3
131.08577	7.8
133.06479	5.6
133.10135	8.2
134.07249	1.6
135.08043	3.4
135.11708	3.4
137.09637	2.4
141.07042	1.1
142.07750	1.3
143.08563	6.9
145.06422	1.5
145.10117	8.0
147.08063	7.0
147.11691	10.7
148.08771	0.6
149.05931	1.1
149.09592	2.2
149.13217	1.8
151.07559	1.0
151.11215	0.6
153.09119	1.1
155.08527	0.9
156.09334	0.6
157.10120	4.5
159.08095	1.4
159.11699	3.6
161.09625	4.5
161.13193	3.4
162.10358	1.0
163.11137	2.5
165.09131	2.8
167.08681	0.6
169.10086	1.6
171.10272	0.8
171.11661	8.9
173.09679	0.9
173.11763	0.5
173.13252	1.1
175.11165	3.3
177.09029	0.5
177.12711	1.8
183.11679	1.0
185.13260	1.4
187.11090	0.7
189.11191	2.3
189.12743	3.2
195.11665	0.8
195.13680	1.0
196.81088	0.5
197.13490	0.5
199.11215	0.8
203.14366	0.9
205.12257	1.3
207.11852	0.8
207.13809	6.7
210.82828	0.5
213.18538	0.6
221.15384	1.7
223.13260	10.1
225.14757	1.0
227.12666	2.4
227.18004	0.7
241.19345	0.5
245.19104	2.5
249.14853	3.5
255.17361	1.2
263.16379	0.9
273.18497	18.7
275.20059	1.2
279.15970	0.9
281.17371	2.6
289.17941	0.6
291.19550	71.7
292.19794	1.0
293.20538	0.8
327.23398	0.8
341.10068	0.6
347.22333	2.5
365.23404	2.0
383.81952	0.6
449.25153	0.5
553.35205	3.1
571.36279	100.0
572.36713	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	571.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06582	2.9
71.49062	2.4
77.47008	1.5
78.98009	1.4
94.30924	1.9
97.94531	1.6
103.46787	1.4
118.06562	15.1
118.61826	1.4
130.06509	2.4
132.08066	4.5
142.06548	3.2
143.07353	1.5
144.08107	10.5
146.06021	59.4
159.09198	5.8
163.03943	3.3
169.12231	6.1
170.06035	4.9
187.13362	1.9
188.07077	100.0
189.07443	2.0
196.74716	1.5
205.09735	44.2
234.76508	1.5
246.78111	1.7
279.94269	1.5
445.77878	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.1
51.02374	2.7
51.29517	1.1
53.03941	12.3
54.22846	1.1
55.01873	12.6
55.05513	33.7
57.03440	8.4
57.07066	3.8
59.04985	1.6
65.03944	7.4
67.05505	85.1
69.03419	6.8
69.04970	1.4
69.06686	1.4
69.07066	24.9
71.05001	6.6
71.08626	5.2
71.49738	1.8
73.06571	1.5
77.03919	1.8
79.05492	100.0
81.03433	15.3
81.07053	89.2
83.04984	21.1
83.08618	10.7
85.02901	1.9
85.06524	6.6
87.04466	1.5
89.06020	6.1
91.05479	88.6
93.07043	82.3
95.01320	3.0
95.04965	26.8
95.08606	45.3
97.02909	3.3
97.06525	10.4
97.10161	7.3
103.05460	4.4
105.03404	1.8
105.04523	4.0
105.07028	75.3
107.04951	23.6
107.08592	39.6
109.06516	13.8
109.10155	20.1
111.04437	2.0
111.08081	5.9
115.05446	5.2
116.06244	2.2
117.07010	25.7
119.08580	38.6
121.06506	14.7
121.10145	16.2
123.04411	3.5
123.08068	11.6
123.11742	3.7
125.09613	2.5
127.07526	2.2
128.06248	6.7
129.07010	20.7
131.04889	2.3
131.08559	34.7
133.06500	15.3
133.08633	1.9
133.10135	34.8
135.08049	15.1
135.11673	11.4
137.06044	1.3
137.09618	4.8
139.07521	2.7
141.06967	5.7
142.07823	2.6
143.08574	15.9
144.09344	1.7
145.06511	3.9
145.10121	25.7
146.07314	1.2
147.08043	12.4
147.11690	27.2
149.06006	1.6
149.09601	20.8
149.13266	3.7
150.06311	1.5
151.07564	1.5
151.11182	10.8
155.08600	4.8
156.09314	2.0
157.10143	8.7
159.08080	6.6
159.11693	8.5
161.09669	12.4
161.13255	11.2
163.07614	1.8
163.11165	5.3
165.09119	2.6
167.10645	1.7
169.10124	5.2
169.12300	3.0
171.08066	1.6
171.11685	27.1
173.09631	3.7
173.13251	4.1
175.11201	10.5
175.14848	1.5
177.09091	8.1
177.12674	1.9
179.10655	2.3
179.97542	1.3
181.10091	2.7
183.11687	2.1
185.09653	2.2
185.13263	2.9
187.11209	3.8
189.11229	2.6
189.12724	10.5
195.10101	2.0
195.11803	1.5
195.13925	2.3
197.13243	2.4
199.14807	1.8
201.12704	1.2
201.16284	1.5
203.14339	1.3
205.12320	1.9
207.11882	2.1
207.13785	12.9
209.13281	2.7
211.14886	3.6
213.11226	3.9
213.16354	1.6
215.12737	1.5
223.13251	3.9
225.14891	2.7
227.17961	3.2
227.41345	1.3
231.13870	1.7
237.16415	3.2
245.18985	8.8
251.12779	8.1
253.14368	5.3
255.17471	5.1
263.20062	4.9
269.13736	2.5
273.18494	56.3
275.20010	2.7
279.15936	2.7
281.17450	17.9
283.20688	3.0
285.21957	6.6
291.19550	71.5
299.20056	1.4
301.21472	2.8
309.20691	4.2
329.21216	2.0
347.22171	17.8
365.23303	8.6
383.24323	1.4
433.30127	1.5
459.27762	1.6
461.30328	1.8
475.26645	3.4
479.31180	2.8
525.35919	1.8
553.35254	14.5
571.36194	90.0
572.36884	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	568.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90726	0.9
55.05503	4.3
57.03436	2.5
57.07076	100.0
58.06594	1.9
59.05002	37.8
60.08217	0.9
67.05508	4.9
69.07069	5.7
70.06589	9.8
70.96564	1.7
70.96906	1.3
71.08632	66.2
72.04506	1.9
77.86263	0.9
79.05487	2.5
81.07066	8.2
83.08613	4.9
85.10183	59.0
87.04440	2.3
87.81427	1.0
88.07626	16.1
89.06036	11.5
91.05485	4.5
92.05810	1.4
93.07021	7.1
94.07391	1.5
95.05003	1.4
95.08608	8.3
96.08945	1.1
97.06540	0.9
97.10164	4.0
99.08108	1.3
99.11739	11.0
101.09652	4.0
102.09188	16.2
105.07028	7.9
106.07360	2.2
107.08597	5.0
109.10184	2.9
111.11737	1.6
113.13266	4.8
116.10757	2.2
117.07030	2.1
117.09130	14.7
119.08589	7.7
120.08941	1.7
121.10135	5.4
123.08038	2.2
123.11736	1.2
131.08583	2.6
133.10159	3.1
134.10452	1.0
135.11728	1.7
143.08533	1.7
145.10149	4.2
146.10532	1.5
147.08093	2.8
147.10196	3.2
147.11761	1.5
151.07588	2.1
155.17943	5.8
156.09236	1.1
157.10112	2.4
159.11719	3.0
160.12033	1.0
165.09123	5.3
169.10010	0.9
171.11658	1.4
172.12259	1.2
175.13318	1.2
181.10106	1.8
181.12126	1.0
182.12738	1.2
183.11656	1.9
193.10168	1.1
198.13684	1.0
203.14378	1.6
205.14368	1.6
213.22124	12.3
221.15312	5.4
222.15779	3.8
223.15262	1.8
237.16339	1.0
253.78284	1.1
271.26303	13.0
283.26370	9.5
284.29480	65.4
285.29813	35.5
294.93747	1.1
302.30579	2.4
311.29431	31.4
312.32581	9.8
476.35495	1.0
538.80426	1.1
563.91730	1.2
568.43475	9.5
568.56622	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	569.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05503	2.1
55.92161	0.5
57.07060	1.1
59.04997	0.7
65.17368	0.5
67.05505	5.3
68.65213	0.4
69.07061	1.4
69.25626	0.7
69.26037	2.8
71.08624	0.9
79.05492	5.3
81.03379	0.5
81.07056	4.3
82.25132	0.4
83.04968	0.6
83.08611	0.7
85.10171	0.6
89.06026	0.6
89.78779	0.4
91.05473	3.6
93.07048	7.0
93.82079	0.5
95.04961	1.6
95.08618	2.8
105.07034	2.0
107.08603	2.2
109.06495	0.5
109.10136	1.4
109.63327	0.4
117.07004	0.5
119.08580	1.8
121.10139	2.1
123.04463	0.5
125.09612	0.5
129.07005	0.7
131.08562	1.4
133.10158	0.7
135.11693	1.4
143.08641	0.5
145.10088	0.5
147.11729	0.6
157.10146	0.9
171.11684	0.5
173.13316	0.6
189.16376	0.6
192.37613	0.4
226.54355	0.5
235.16995	1.3
285.30035	0.6
569.40259	100.0
570.40594	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	568.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
56.17907	1.0
57.03442	1.4
57.07079	100.0
57.35133	1.0
59.05005	45.4
67.05498	2.3
67.49016	1.0
69.07071	6.1
70.06599	8.9
71.08636	78.1
71.49964	1.1
71.50378	1.4
73.02919	31.3
81.07062	2.3
83.08616	3.0
85.06599	1.0
85.10188	62.5
87.04469	3.0
87.08105	1.4
88.07645	13.5
89.06031	5.1
91.20567	1.0
93.07067	1.2
94.09040	1.0
95.08603	4.0
97.10168	2.9
99.11752	9.1
101.09650	2.8
101.15295	1.1
102.09190	9.9
103.07592	3.0
109.10173	2.1
113.13285	3.8
117.05524	1.5
117.09132	14.3
133.08635	2.3
133.10068	1.2
135.10225	1.0
155.17937	10.2
175.13448	1.6
195.12343	2.8
205.10658	6.4
213.22159	10.8
223.11671	2.2
243.23216	4.4
257.24744	2.3
271.26297	11.7
281.15982	1.2
283.26324	8.6
284.29492	21.8
302.30487	2.5
311.29471	22.5
312.32608	8.6
568.42999	3.4
568.56665	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86871	1.4
53.03939	4.8
55.01872	1.7
55.05507	10.2
57.07076	14.0
59.04986	2.0
59.23096	1.6
65.03942	1.6
67.05513	14.2
67.77187	1.4
69.03413	2.0
69.07053	13.4
69.91972	8.2
70.06593	6.5
71.08629	4.4
79.05494	24.4
80.06271	2.6
81.07053	33.4
83.04972	2.4
83.08617	6.3
85.06532	3.6
85.10179	4.2
87.04539	1.8
88.07628	8.4
89.06043	1.5
91.05479	39.3
92.06251	1.8
93.07043	45.0
95.04970	38.8
95.08604	27.2
97.06524	2.8
100.60742	1.4
102.09198	7.5
103.05489	4.7
105.04531	1.4
105.07030	82.0
106.07861	2.8
107.08590	45.5
108.09424	2.1
109.06531	5.9
109.10156	19.7
115.05457	3.9
116.06232	1.8
117.07011	24.7
118.07816	2.5
119.08583	100.0
120.09364	8.1
121.06512	2.7
121.10137	30.5
123.08057	13.9
123.11685	6.0
128.06218	8.4
129.07008	14.4
130.07771	9.7
131.08566	42.5
131.17825	1.5
132.09364	8.8
133.10127	51.2
134.10895	5.2
135.08051	6.4
135.11694	16.1
137.09612	5.9
138.10403	5.6
139.11165	2.1
141.06987	4.7
142.07777	16.4
143.08563	42.4
144.09343	16.6
145.10118	91.7
146.10883	6.6
147.08153	1.8
147.11691	25.0
149.09596	4.3
149.13264	2.8
151.11203	2.9
153.07030	3.9
154.07782	2.5
155.08548	17.5
156.09348	16.5
157.10127	47.5
158.10889	11.4
159.11690	34.9
160.12471	2.8
161.09618	7.3
161.13216	9.4
163.11176	2.1
165.07053	3.5
166.07777	3.2
167.08566	7.8
168.09325	5.4
169.10121	27.5
170.10901	9.2
171.11708	37.8
172.12447	5.3
173.09695	1.9
173.13275	29.5
175.11249	2.2
175.14847	20.8
177.12759	6.4
179.08557	8.0
180.09346	4.0
181.10107	14.8
182.10893	6.9
183.11676	22.6
184.12418	4.4
185.13266	26.5
186.14029	7.4
187.14804	13.9
189.12790	3.3
191.14311	10.4
192.15059	1.9
193.10124	7.4
193.15982	1.6
194.10864	9.6
195.11708	17.4
196.12459	8.4
197.13248	27.2
198.13986	4.4
199.11232	2.0
199.14734	12.9
200.15579	1.9
201.12775	6.1
201.16417	7.1
203.14160	2.0
206.10889	2.9
207.11673	9.6
208.12500	6.8
209.13251	30.2
210.13994	4.1
211.14845	17.6
212.15758	2.2
213.12790	2.5
213.16362	4.8
217.15964	6.4
219.11754	3.4
219.17604	2.5
220.12485	3.0
221.13292	6.8
222.14073	4.4
223.14809	11.4
224.15620	5.7
225.16414	7.3
227.17836	2.1
231.17447	3.6
233.13219	2.9
235.14873	4.9
237.16405	8.3
239.17844	5.3
241.19539	4.2
243.17261	2.1
247.14891	3.6
249.16380	5.3
251.17876	4.6
257.19022	3.2
260.15515	1.9
261.16327	3.6
263.17975	3.6
265.19556	4.8
267.21347	1.9
270.19748	2.4
275.17892	3.4
277.19437	3.4
279.21039	3.8
281.18872	2.0
283.20541	3.2
283.26279	6.7
284.29422	17.4
285.22092	2.8
297.22079	3.0
305.22705	2.6
311.29440	16.6
312.32559	7.5
323.23721	7.7
330.33804	1.9
335.23828	2.0
337.25165	3.2
338.26013	41.5
361.17740	1.7
404.28595	1.7
420.29868	2.4
430.32343	13.2
476.36514	14.4
544.63855	1.5
568.42944	30.0
568.56512	50.9
590.22119	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.05512	13.2
57.07067	18.7
67.05506	20.4
69.03413	3.0
69.07073	14.9
70.06593	9.2
71.08626	6.4
71.50287	4.3
79.05489	30.1
80.06281	3.8
80.56207	2.3
81.07061	38.7
83.08613	7.9
85.06479	4.4
85.10203	4.4
88.07623	11.3
91.05478	37.1
93.06498	3.5
93.07051	41.4
95.04971	41.9
95.08605	32.8
100.70878	2.4
102.09182	10.3
103.05486	4.0
105.07035	84.2
106.07834	4.5
107.08591	49.9
108.09448	2.9
109.06503	5.2
109.10154	22.5
115.05500	6.4
117.07036	30.1
119.08579	100.0
120.09349	7.3
121.10148	35.3
123.08060	17.2
123.11717	8.1
125.09660	4.1
128.06219	12.6
129.06992	21.4
130.07790	8.5
131.08565	48.6
132.09322	8.5
133.10124	58.2
134.10948	5.8
135.08034	7.2
135.11690	16.3
137.09593	4.4
138.10387	7.4
141.06999	7.4
142.07805	18.2
143.08559	47.7
144.09355	16.8
145.10124	92.0
146.10858	7.6
147.08046	3.3
147.11682	24.9
149.09616	8.3
149.13312	5.2
153.06961	5.6
154.07800	3.8
155.08565	14.9
155.60460	2.4
155.99713	2.5
156.09369	15.7
157.10133	51.4
158.10948	13.4
159.11699	35.5
160.12454	5.8
161.09644	7.2
161.13239	8.9
163.11189	4.4
165.07051	3.4
166.07806	4.6
167.08571	7.8
168.09355	6.2
169.10144	31.5
170.10904	6.2
171.11699	31.4
172.12476	7.4
173.13263	35.6
175.14833	23.1
177.12756	5.5
179.08591	7.1
180.09457	4.9
181.10165	16.2
182.10883	4.1
183.11664	25.6
184.12428	3.6
185.13287	26.3
186.14095	7.2
187.14822	14.8
189.12772	3.4
191.14305	12.5
192.09323	3.3
192.15092	4.2
193.10143	6.6
194.10918	9.3
195.11656	18.0
196.12520	8.2
197.13255	30.9
198.13995	8.1
199.14818	8.9
201.12814	3.7
201.16373	6.7
203.14378	2.9
204.15068	3.3
205.10092	3.1
206.10918	4.3
207.11708	13.0
208.12473	5.3
209.13246	23.1
210.13972	2.8
211.14827	22.6
213.16409	5.3
217.15953	4.9
219.11754	2.8
219.17421	3.7
220.12479	5.7
221.13197	9.7
222.14130	4.2
223.14784	9.4
224.15706	6.3
225.16422	9.7
226.17271	3.0
233.13222	5.0
235.14835	8.4
237.16428	8.5
239.18033	5.7
247.14882	5.5
249.16487	4.4
251.17918	4.4
257.18994	3.1
259.20480	3.1
265.19714	4.0
277.19550	4.8
279.20990	3.1
283.20413	4.4
283.26321	7.1
284.29443	22.0
297.22101	3.3
311.29498	21.4
312.32697	6.0
312.68912	2.5
323.23645	7.9
337.25443	3.9
338.26019	44.4
347.23831	3.4
420.30634	3.0
430.32388	15.5
476.36588	17.6
568.42932	28.4
568.56628	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.7
52.14756	1.8
53.03946	3.8
55.01851	1.9
55.05510	11.0
56.35815	2.1
57.07075	18.5
59.04987	2.5
60.87346	1.9
65.03941	3.7
67.05502	22.1
69.03427	3.0
69.07066	16.0
70.06588	9.4
71.08621	7.8
71.23521	3.8
74.06091	1.7
79.05486	30.0
80.06276	3.0
81.07060	36.9
83.04993	1.9
83.08607	6.6
85.06535	4.8
85.10170	5.1
88.07626	14.2
88.66182	1.8
89.06026	2.0
91.05481	43.1
92.06261	2.1
92.38642	1.7
93.06482	3.2
93.07047	46.9
94.07787	2.1
95.04961	33.9
95.08038	1.3
95.08598	29.2
97.06507	2.8
97.10126	2.3
102.09181	7.1
103.05446	3.5
105.04543	1.7
105.07027	80.1
106.07825	4.9
107.08594	45.4
108.09357	2.4
109.06519	5.7
109.10159	18.8
111.08046	2.5
115.05457	6.8
117.07022	25.1
118.07796	3.7
119.08577	100.0
120.09404	8.3
121.06507	1.7
121.10145	33.2
123.08060	19.2
123.11714	7.5
125.09648	2.0
127.85233	1.8
128.06219	11.2
129.07001	15.3
130.07787	9.7
131.08562	46.3
132.09363	12.4
133.10121	49.8
134.10896	4.4
135.08093	5.7
135.11688	15.6
137.09627	7.0
138.10410	7.9
141.06987	6.4
142.07785	18.0
143.08568	37.8
144.09326	17.6
145.10123	85.9
146.10886	4.6
147.07993	2.6
147.11697	24.3
149.09625	6.0
149.13264	3.8
151.11171	4.4
153.06961	3.5
154.07794	3.2
155.08566	16.9
156.09338	16.4
157.10130	45.5
158.10872	10.8
159.08124	2.7
159.11685	39.4
160.12416	2.3
161.09656	5.8
161.13255	7.8
165.07037	5.8
166.07857	2.3
167.08604	10.1
168.09355	7.4
169.10138	24.6
170.10880	9.0
171.11679	35.8
172.12407	6.0
173.13263	24.6
175.14832	22.6
177.12813	5.0
179.08559	8.1
180.09366	4.1
181.10117	19.4
182.10881	7.2
183.11679	22.6
184.12511	5.1
185.13248	28.3
186.14061	6.5
187.14848	12.6
189.12747	6.4
191.14339	10.9
192.15053	3.2
193.10109	11.5
194.10936	8.5
195.11720	17.9
196.12485	8.4
197.13246	25.7
198.14017	5.7
199.14792	12.1
201.12869	1.8
201.16402	6.6
203.14293	3.6
205.10086	2.8
206.10974	2.3
207.11728	11.3
208.12492	4.9
209.13261	23.5
210.14015	2.5
211.14835	20.3
213.16367	6.2
215.14276	2.1
217.10086	2.1
217.16000	4.8
219.17473	2.7
221.13237	7.4
223.14845	12.5
224.15599	5.1
225.16418	8.2
227.17909	3.2
229.16016	1.8
231.11693	2.5
233.13225	3.5
233.20094	2.2
235.14790	6.7
237.16389	7.1
238.17056	3.7
239.17999	5.1
239.34677	2.1
241.19534	4.9
247.14862	4.2
249.16420	4.2
251.18028	5.3
253.19707	1.9
255.17574	2.5
257.18881	3.2
259.15140	1.9
259.20605	3.1
261.16406	4.9
263.18024	4.6
265.19589	4.8
275.18106	3.3
277.19534	2.0
279.21008	2.5
283.20593	4.1
283.26248	8.9
284.29425	22.0
285.22180	5.6
297.22119	3.2
311.29456	22.3
312.32617	9.0
317.52493	2.2
323.23648	6.7
336.24615	2.1
337.25464	1.9
338.26053	46.5
420.30103	2.9
430.32239	10.2
476.36597	12.7
568.43127	23.8
568.56610	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
53.03940	3.3
55.05511	8.6
57.07079	6.6
60.06635	1.3
65.03938	1.9
67.05508	13.7
68.57137	1.5
69.03426	2.3
69.07074	12.0
69.56345	8.8
75.44503	1.3
77.03941	1.7
78.51945	1.2
79.05497	24.4
79.22369	1.3
80.06272	3.8
81.07063	31.0
83.04996	4.0
83.08610	5.1
84.00741	1.2
85.06570	3.2
86.13361	1.6
91.05484	41.3
92.06258	3.4
93.06478	3.1
93.07043	42.3
95.04974	37.0
95.08611	27.7
97.06550	1.9
103.05476	3.4
104.19380	1.5
105.04523	1.7
105.07036	75.2
106.07829	5.1
107.08591	42.0
108.09408	2.7
109.06527	4.0
109.10162	15.6
111.08107	2.0
115.05463	4.9
116.06273	1.9
117.07027	19.5
119.08583	100.0
120.09377	9.8
121.06479	2.2
121.10146	29.9
123.08073	13.6
123.11736	4.3
125.09637	2.3
128.06213	10.2
129.07010	16.2
130.07770	9.5
131.07605	2.2
131.08580	44.0
132.09372	9.7
133.10130	54.8
134.10899	6.0
135.08057	5.6
135.11690	18.9
137.09615	5.5
138.10408	8.2
139.11234	1.8
141.06993	8.2
141.84277	1.3
142.07761	13.6
143.08560	39.6
144.09361	13.5
145.10126	88.0
146.10896	6.5
147.08040	1.7
147.11688	24.7
148.12498	1.4
149.09627	5.9
149.13260	3.8
151.11148	1.5
153.07002	3.2
154.07739	2.1
155.08556	14.6
156.09366	12.2
157.10130	50.3
158.10918	11.5
159.08118	1.6
159.11693	36.1
160.12486	3.3
161.09608	5.4
161.13239	9.1
163.11172	2.8
165.07011	3.9
166.07823	1.9
167.08577	7.8
168.09364	6.9
169.10127	24.2
170.10905	7.9
171.11681	34.1
172.12434	8.3
173.13280	27.1
175.11198	3.0
175.14835	22.8
177.12772	5.7
179.08510	10.5
180.09373	3.7
181.10150	14.4
182.10950	10.0
183.11702	28.1
184.12456	5.1
185.13255	24.4
186.13988	9.4
187.14830	15.8
189.12735	4.0
189.16460	2.0
191.14317	11.0
192.09415	2.1
192.15114	2.2
193.10147	8.0
193.15930	1.6
194.10907	6.7
195.11707	18.5
196.12476	5.9
197.13271	31.2
198.14030	6.0
199.14880	13.7
200.15579	1.9
201.12727	5.6
201.16364	7.1
203.14296	4.0
206.10896	2.4
207.11694	11.3
208.12498	4.9
209.13272	25.7
210.14026	4.2
211.14841	18.9
212.15620	2.8
213.16394	5.6
215.14403	3.1
217.15927	7.4
219.11662	2.4
219.17586	2.0
220.12585	1.8
221.13292	10.9
222.14035	4.3
223.14766	9.1
224.15546	7.3
225.16425	8.7
226.17101	2.8
227.14311	2.2
227.18028	3.4
231.11726	1.9
233.13252	3.3
234.14319	1.9
235.14909	6.7
236.15584	1.9
237.16360	9.2
239.17856	8.5
240.18668	2.1
241.19525	4.6
245.13284	2.2
247.14775	2.8
249.16397	5.4
251.17950	5.0
251.32478	1.6
253.19556	2.1
255.17487	2.2
257.18994	3.4
259.20609	4.0
261.16382	2.9
263.17957	3.6
265.19495	4.3
267.20917	1.7
269.19070	1.6
272.21289	1.8
275.17999	2.7
277.19540	5.0
279.21109	2.1
283.20572	5.7
284.29468	2.5
285.22119	5.2
289.19489	2.6
291.21143	2.1
295.20468	2.1
297.22183	3.0
303.21295	1.9
305.22452	1.8
309.22107	1.5
323.23703	8.3
337.25287	5.3
338.26031	44.4
351.26929	2.3
362.25815	1.9
392.30884	1.5
415.29941	2.8
420.30240	4.0
430.32297	16.1
458.35666	1.9
465.73734	1.4
476.36505	20.2
504.80460	1.4
568.42853	31.5
568.56555	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	567.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55536	5.2
53.03940	8.4
55.05510	27.8
57.07066	13.9
65.03924	7.4
65.94259	4.6
67.05505	55.7
69.07053	24.1
69.40546	39.0
71.08632	10.9
72.12097	5.6
79.05480	44.3
81.07052	58.9
83.08620	15.3
85.10207	9.6
89.06023	7.0
90.50439	5.0
91.05476	59.6
93.07041	64.6
95.04945	8.7
95.08607	54.0
97.10213	6.2
103.05459	6.5
105.07037	77.8
107.04936	9.6
107.08591	83.8
109.10151	45.7
117.07012	14.5
119.08582	86.9
121.06500	8.5
121.10136	65.6
123.11697	24.4
123.16337	5.5
123.22108	5.0
128.06198	7.7
129.07079	8.5
130.07817	5.7
131.08600	34.7
133.08560	5.3
133.10133	69.1
135.11691	72.9
137.13255	8.1
139.59525	5.1
142.07777	12.4
143.08574	23.8
144.09389	7.2
145.10127	61.6
145.22270	5.3
147.11682	23.4
149.13304	7.8
155.08575	8.6
156.09360	9.7
157.10146	38.6
159.11691	27.3
161.13203	17.9
164.72757	6.2
167.08508	8.9
169.10117	19.3
171.11665	31.2
173.13263	27.8
175.14775	34.0
179.08612	10.2
182.10902	7.3
183.11685	14.4
185.13234	18.3
187.14850	18.0
193.10184	8.7
195.11684	13.7
197.13315	13.5
199.11259	5.9
199.14908	10.8
201.16379	13.7
207.11716	10.3
209.13303	14.3
211.14856	15.2
213.16440	15.0
219.11609	6.4
221.13266	6.9
223.14806	14.4
225.16359	8.7
231.11603	5.2
233.13283	6.9
233.15370	21.2
235.14861	10.3
237.16357	6.9
249.16454	7.1
251.18022	8.0
261.16187	5.8
265.19757	6.0
291.17444	6.0
302.09290	6.1
361.25198	8.3
373.66797	5.5
427.30005	6.3
505.68530	7.3
549.40436	20.5
567.41534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09621	1.4
53.03951	5.5
54.96328	1.2
55.05518	9.9
57.07077	14.9
59.04995	4.5
65.03944	4.3
67.05507	21.4
69.03429	5.7
69.07072	13.3
69.92773	6.4
71.08643	3.2
79.05502	20.0
79.46551	1.3
81.07067	32.8
83.04997	2.4
83.08620	5.0
85.10215	2.4
91.05489	29.9
93.07047	50.8
95.04964	6.6
95.08616	35.1
103.05477	3.4
105.04584	2.0
105.07037	61.3
107.08595	34.3
109.06530	6.1
109.10163	23.9
115.05460	3.9
117.07001	10.1
119.06071	1.4
119.08586	68.8
121.06547	4.4
121.10148	39.3
123.08054	12.3
123.11713	11.9
125.05956	3.2
128.06241	5.8
129.07030	8.1
130.07793	4.4
131.08582	22.6
133.06467	2.1
133.10133	31.3
135.08044	9.8
135.11688	16.5
137.09604	9.9
139.07552	2.0
141.06998	5.1
142.07753	10.8
143.08571	20.3
144.09346	6.0
145.10127	38.6
147.08043	22.8
147.11697	12.9
149.09639	2.3
151.07553	11.5
153.06949	2.0
154.07747	2.0
155.08592	9.6
155.09769	1.3
156.09349	9.1
157.10126	32.1
158.10913	4.3
159.08083	2.2
159.11708	22.9
161.09628	4.0
161.13278	9.6
163.11223	8.5
165.06993	3.6
165.09128	43.1
167.08633	4.7
168.09369	3.3
169.10107	15.4
170.10915	6.0
171.11710	17.7
173.09601	2.3
173.13284	12.6
175.11186	2.6
175.14796	10.5
179.08560	3.7
180.09358	2.0
181.10107	7.7
181.12306	6.0
182.10892	5.3
183.11713	14.6
185.13300	9.3
187.11278	2.2
187.14847	7.9
189.12744	1.6
189.16495	2.7
193.10187	4.7
194.10931	2.9
195.11658	10.6
196.12442	4.5
197.13213	11.2
199.14859	6.8
201.16476	3.1
203.14296	16.0
207.11705	4.3
207.13838	4.9
208.12480	2.4
209.13281	8.7
209.15228	3.2
210.13910	1.5
211.14757	10.9
213.16455	4.5
215.17989	1.9
221.13310	6.5
221.15363	100.0
223.14796	7.2
225.12869	1.5
225.16438	3.4
227.18004	1.8
233.13185	3.3
235.14795	2.6
237.16280	7.4
239.17972	2.6
241.19632	2.0
247.17035	2.5
251.17915	1.9
253.19571	2.2
263.18219	2.7
265.19476	2.6
267.21225	2.3
269.19104	2.0
275.17902	1.9
277.19522	1.7
281.22580	2.0
284.29504	66.7
286.19238	3.9
287.20172	2.9
299.20123	3.1
352.24274	2.9
353.24734	2.0
359.27377	8.1
387.30585	3.1
409.31476	1.8
431.70392	1.5
445.31125	3.6
461.33545	1.5
475.35889	8.7
487.35413	3.6
488.35895	1.6
549.41284	2.9
567.41949	90.7
568.42517	2.0
568.56708	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	567.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49682	2.2
51.55252	2.6
53.03947	6.1
55.01851	2.4
55.05513	16.4
57.07076	14.0
59.04993	3.2
61.92859	2.6
65.03942	2.6
67.05507	23.6
69.03423	7.3
69.07077	15.9
69.55228	5.7
69.55631	11.8
71.08635	4.3
79.05496	25.9
81.07064	48.2
83.04993	4.5
83.08624	4.3
89.06023	3.3
91.05482	42.3
93.07049	67.4
95.04956	6.3
95.08602	39.6
97.06532	2.6
97.10163	2.1
105.07037	79.2
107.08600	50.6
109.06524	5.7
109.10145	29.1
115.05537	4.0
117.07026	16.3
119.08591	87.6
121.06487	4.1
121.10150	52.4
123.08070	17.9
123.11727	18.3
125.05993	3.2
128.06239	6.1
129.07014	11.9
130.07800	8.5
131.08580	33.1
131.61722	2.7
133.07629	2.7
133.10139	34.6
135.08052	10.2
135.11681	24.9
137.09615	12.3
139.07549	4.5
141.06978	7.1
142.07773	14.3
143.08577	26.8
144.09341	4.9
145.10129	56.7
147.08038	23.8
147.11687	14.4
149.09668	3.0
149.13239	5.2
151.07552	12.7
155.08546	9.2
156.09363	9.1
157.10132	39.8
158.10938	3.2
159.11703	23.0
159.42435	2.5
161.09595	3.3
161.13251	11.6
163.11195	6.7
165.06990	5.5
165.09120	49.6
167.08607	5.4
168.09422	6.3
169.10118	18.5
170.10899	4.9
171.11720	21.0
173.09741	3.2
173.13278	17.2
175.14851	16.1
179.08589	8.0
181.10162	8.6
181.12234	7.6
182.10983	4.8
183.11681	18.9
185.13341	12.0
187.14827	9.5
189.12758	3.6
193.10202	6.3
194.10864	3.6
195.11682	11.1
196.12479	4.5
197.13261	14.1
199.14861	7.3
201.16531	3.0
203.14316	18.3
206.10988	5.6
207.11858	5.1
207.13904	6.9
209.13391	12.0
209.15216	4.1
211.14696	11.6
213.16502	4.3
221.13277	7.7
221.15364	96.4
223.14743	7.7
225.16451	4.5
227.17973	2.5
233.13344	3.1
235.14885	5.1
237.16405	7.2
239.17949	3.8
247.17116	3.8
265.19540	3.3
279.20984	3.2
359.27362	9.3
430.79785	2.4
432.53268	2.6
460.99265	2.5
475.35947	12.4
487.35648	7.0
549.41119	3.3
567.41956	100.0
568.42719	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.05499	11.2
55.46621	2.1
57.07077	21.6
58.86590	2.1
59.04997	7.1
62.01723	1.9
62.26843	2.0
65.01576	1.8
66.24848	2.2
67.05510	21.6
69.03424	4.4
69.07075	10.8
69.80528	6.6
69.80935	4.3
71.08640	10.3
72.04511	2.4
79.05491	18.1
81.07059	37.1
83.04958	2.9
83.08624	5.3
85.06533	3.8
85.10175	6.4
89.06036	2.0
91.05478	38.8
93.07045	48.0
95.04974	8.0
95.08608	37.7
97.06528	4.7
97.10183	3.9
103.05473	2.5
105.04522	2.5
105.07034	63.3
107.08598	37.1
109.06510	6.4
109.10151	25.5
110.27107	2.0
111.08095	3.0
115.05483	3.1
117.07030	16.5
119.08584	69.7
121.06551	2.8
121.10149	41.4
123.08084	14.2
123.11700	13.9
125.06010	5.6
128.06232	9.0
129.06995	11.1
130.07826	3.7
130.12337	2.5
131.08572	26.4
133.06465	2.0
133.08627	2.2
133.10129	34.1
135.08087	9.9
135.11688	17.0
137.09612	10.8
142.07826	10.2
143.08571	29.4
144.09332	5.0
145.10132	42.4
147.08037	24.8
147.11707	13.7
149.09642	4.2
149.13286	2.5
151.07579	11.5
154.35896	2.1
155.08565	9.4
156.09363	10.3
157.10135	31.6
159.11684	21.6
161.09607	4.9
161.13280	9.9
163.11214	5.1
165.07011	2.9
165.09113	39.6
167.08553	4.9
168.09325	3.5
169.10141	13.6
170.10982	2.7
171.11702	20.3
173.09677	3.2
173.13281	13.1
175.11206	3.2
175.14844	12.3
177.09224	2.9
180.09418	3.3
181.10179	6.9
181.12343	6.2
182.10887	4.2
183.11673	15.4
185.13222	10.3
187.14912	7.1
189.12791	3.5
193.10292	4.0
194.10948	3.2
195.11732	11.0
195.13928	3.2
196.12411	5.1
197.13226	10.6
199.14839	7.6
203.14354	16.4
206.10803	2.2
207.11877	5.0
207.13858	9.2
208.12410	4.4
209.13316	9.7
209.15147	2.1
210.13834	2.9
211.14851	6.3
213.12813	2.3
213.16373	5.6
221.13335	4.9
221.15350	83.6
222.15819	2.8
223.14787	6.6
225.16458	3.7
230.53844	2.6
233.13211	2.4
235.14827	4.4
237.16458	6.5
239.05501	2.0
239.14281	2.8
239.17996	3.3
249.16440	4.5
253.64397	2.0
261.16504	2.3
265.19461	2.4
267.21002	2.6
281.19016	2.2
284.29495	100.0
285.18549	2.2
287.20325	3.4
299.20282	3.5
333.26031	2.0
352.24091	2.8
359.27216	8.3
389.76459	2.0
475.35944	9.7
487.35895	6.4
549.41187	3.2
567.41937	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31548	3.5
73.54140	1.5
76.84956	1.5
86.61344	1.8
98.97585	16.4
116.98606	8.1
133.05368	2.1
134.99593	2.9
159.65366	1.7
174.97734	1.9
193.51709	1.8
195.72821	2.0
214.95610	2.4
216.95502	2.7
216.98857	3.9
232.96704	8.3
234.96432	4.3
235.00017	4.3
236.00108	1.8
240.99019	7.4
250.97743	3.0
252.97516	2.9
256.96680	18.6
257.96790	4.2
258.96561	13.0
258.99963	35.6
260.00089	3.3
260.99841	5.1
264.99097	2.8
274.97681	30.8
275.97806	7.9
276.97595	20.8
277.00961	20.9
279.00797	3.0
282.99988	100.0
284.00055	9.1
284.99792	13.9
285.53680	2.2
292.98541	4.5
298.97739	37.6
299.97916	10.4
300.97577	29.5
301.01038	85.0
302.01135	8.4
303.00851	13.0
316.95404	3.3
316.98831	35.7
317.98895	13.4
318.98618	37.2
319.02176	4.2
340.00278	2.0
356.97034	3.2
376.97748	2.3
383.00146	3.0
401.01010	6.5
403.01120	2.4
407.00119	4.6
416.99286	3.7
418.99036	8.7
425.01471	30.0
426.01108	3.2
427.00998	5.4
440.99521	10.9
441.99042	7.1
442.98010	17.5
443.02267	33.7
444.02530	3.2
445.02182	7.6
459.00400	9.7
459.99799	7.0
460.99860	30.4
500.97943	5.6
542.99030	4.1
543.98651	1.9
549.01355	31.3
550.01587	2.1
567.00513	47.4
568.01849	5.4
585.00104	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	565.1554
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
53.03915	0.6
55.01860	0.5
56.07473	0.4
57.03410	1.0
61.02895	0.4
67.05469	0.4
69.03401	0.8
69.72385	0.6
69.72784	1.8
70.06591	4.8
72.08107	1.5
73.02917	2.1
79.01820	0.9
81.03378	1.2
84.08144	3.3
85.02918	2.0
86.09695	2.6
87.04440	0.5
89.06000	0.5
97.02862	0.8
98.20884	0.7
98.28905	0.5
104.71548	0.4
109.02829	1.5
110.09668	0.5
119.04900	2.0
120.08064	1.6
121.02030	0.5
121.02872	9.8
129.10216	1.0
136.07472	0.6
145.02827	1.0
145.06409	0.5
147.04413	0.9
153.01733	0.6
163.03893	1.2
165.01775	2.4
166.08614	0.9
167.03413	0.8
171.02908	0.8
177.01849	0.6
177.05426	0.9
183.02853	0.7
195.02924	0.5
197.05823	0.8
202.08153	0.5
205.04926	0.5
213.05411	1.8
215.03305	0.5
217.04971	2.6
219.09920	0.4
227.07030	1.1
241.05025	0.7
243.02824	1.5
243.06465	1.4
255.06525	2.4
256.07315	5.2
258.02124	0.6
259.05972	2.0
261.03888	1.2
267.06476	1.3
270.05182	0.8
271.06000	5.2
281.07996	0.6
283.05997	46.2
284.06775	27.2
285.07489	1.8
287.05399	0.8
295.06046	9.1
295.09302	0.8
297.07590	9.1
307.05939	1.2
308.06744	2.0
309.07562	5.4
311.05374	2.3
311.08850	0.5
313.07043	100.0
314.07544	0.9
321.07498	0.7
323.05539	1.7
323.09033	11.2
325.07089	3.3
327.08630	1.5
337.07022	18.6
343.08078	2.7
349.07132	1.7
351.08560	4.2
355.08020	1.3
361.07010	1.3
367.08081	8.2
379.08075	7.0
397.09207	15.4
415.10226	21.5
433.11316	47.4
434.11539	0.6
445.11319	7.0
565.15521	43.6
566.15936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1551
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
57.03432	6.4
61.02922	2.0
69.03417	2.0
69.62005	2.7
69.62428	3.8
73.02915	10.8
74.77342	1.1
77.52713	1.0
77.80325	0.9
85.02897	2.8
97.02876	1.6
98.20760	1.3
103.03941	1.2
109.02899	1.8
117.42410	1.1
119.04917	2.4
121.02883	8.7
145.02820	2.7
149.02324	1.2
163.03871	2.6
165.01851	12.1
167.03391	3.0
177.01831	3.6
183.02858	2.3
187.03914	1.3
191.03409	1.7
195.02864	1.7
212.05638	1.0
215.03470	1.0
215.57988	1.1
239.06996	2.0
243.02869	2.0
255.06682	1.7
262.50034	1.0
265.15671	1.0
267.06525	8.3
270.05261	5.4
271.05984	7.4
279.06491	1.0
279.77863	0.9
281.08044	6.8
283.06003	91.0
284.06796	18.0
295.05969	13.3
295.09436	2.7
297.07693	6.1
305.07959	3.8
307.05939	1.8
308.06863	3.3
309.04089	2.0
309.07538	20.4
313.07062	100.0
314.07391	1.4
321.07541	2.6
323.05658	1.5
323.09186	13.2
325.07187	2.2
333.07727	3.0
337.07068	40.1
338.07239	1.3
349.07175	8.1
351.08597	2.9
361.07205	6.5
367.03738	2.0
367.08142	31.1
379.08121	18.6
397.09204	21.3
415.10236	35.4
433.11346	52.1
504.00613	1.2
525.97913	1.1
565.15472	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	565.1552
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
51.42783	0.8
55.01878	1.2
57.03429	2.1
61.02928	1.4
67.67303	0.7
68.99832	0.9
69.03459	1.1
69.29662	0.9
69.36874	1.7
69.37276	6.3
71.01323	1.0
73.02927	13.3
85.02892	2.3
97.02894	1.2
107.03224	0.8
107.55618	0.8
109.02895	1.9
115.03899	1.3
119.04974	1.5
121.02863	6.4
145.02879	1.7
149.02306	1.8
163.03922	2.5
165.01833	9.5
167.03421	1.7
177.01816	1.7
183.02864	1.9
187.03970	1.6
191.03452	1.8
195.02809	1.4
255.06642	1.3
267.06519	8.1
270.05273	3.8
271.06076	8.4
279.06711	1.4
281.08200	5.3
283.06021	74.1
284.06781	9.8
295.06027	10.1
295.09500	2.6
297.07550	2.3
305.08109	2.4
307.05954	1.6
308.06622	1.5
309.07581	19.0
311.05481	1.0
313.07062	100.0
321.07623	2.3
323.09131	13.6
333.07556	2.8
337.07056	42.2
349.07181	8.0
351.08508	1.9
361.07040	6.0
367.08173	33.2
379.08151	19.8
397.09186	25.3
415.10257	49.6
433.11331	71.6
445.11520	1.1
550.41016	0.9
565.15021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02604	0.6
57.03419	0.7
60.33977	0.6
68.99796	0.9
69.89765	3.2
70.06589	0.8
79.01842	0.9
81.03409	1.3
84.08144	0.8
85.02898	3.5
86.09705	1.0
103.03939	1.7
104.23638	0.8
105.01913	1.0
109.02904	0.8
112.35682	0.6
119.04962	3.2
121.02865	13.9
137.02322	1.3
141.01816	0.8
145.02850	1.7
147.02850	0.9
149.02368	0.6
153.01842	0.7
158.09247	0.9
159.09178	0.9
163.03908	2.3
165.01852	8.0
167.03378	1.3
175.08957	0.7
177.01799	2.4
179.03307	0.8
183.02867	1.8
187.03874	1.6
189.01846	1.5
191.03354	1.9
195.02913	2.4
203.03435	1.0
205.01262	0.9
213.05501	2.3
215.03432	1.6
217.04961	1.8
225.05443	0.7
227.06967	1.2
243.02818	1.5
243.06441	1.3
255.06526	3.8
256.07278	6.2
261.04031	0.8
267.06525	2.2
270.05273	1.7
271.06058	7.5
271.17303	0.7
281.08078	1.2
283.06015	50.6
284.06799	23.9
285.07443	1.8
294.05139	1.3
295.06027	37.0
296.06741	1.4
297.07541	10.4
305.08057	1.0
307.06064	6.7
308.06757	2.5
309.04431	1.0
309.07623	6.2
311.05441	3.0
313.07056	100.0
314.07370	1.9
321.07571	2.7
323.05533	1.8
323.09189	5.8
325.07068	9.0
327.08459	0.9
333.07419	3.7
334.08075	0.8
335.09177	1.3
337.03195	1.4
337.07062	20.8
341.06802	1.0
343.08154	4.6
345.07626	1.3
347.09259	0.9
349.06992	4.3
351.08618	3.7
355.08228	1.4
361.07193	5.1
363.08487	1.7
367.08035	2.0
379.08127	13.5
391.08069	2.7
397.09021	4.3
403.07941	0.8
409.09036	6.2
415.09735	1.0
427.10211	6.3
433.08807	0.6
445.11224	1.1
451.09842	0.7
458.37207	0.7
469.12048	0.8
475.10440	1.1
481.11212	2.2
483.09351	0.7
493.11469	1.3
499.12091	1.3
511.12872	3.5
529.09216	12.2
547.10724	21.0
565.11902	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	565.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02604	0.6
57.03419	0.7
60.33977	0.6
68.99796	0.9
69.89765	3.2
70.06589	0.8
79.01842	0.9
81.03409	1.3
84.08144	0.8
85.02898	3.5
86.09705	1.0
103.03939	1.7
104.23638	0.8
105.01913	1.0
109.02904	0.8
112.35682	0.6
119.04962	3.2
121.02865	13.9
137.02322	1.3
141.01816	0.8
145.02850	1.7
147.02850	0.9
149.02368	0.6
153.01842	0.7
158.09247	0.9
159.09178	0.9
163.03908	2.3
165.01852	8.0
167.03378	1.3
175.08957	0.7
177.01799	2.4
179.03307	0.8
183.02867	1.8
187.03874	1.6
189.01846	1.5
191.03354	1.9
195.02913	2.4
203.03435	1.0
205.01262	0.9
213.05501	2.3
215.03432	1.6
217.04961	1.8
225.05443	0.7
227.06967	1.2
243.02818	1.5
243.06441	1.3
255.06526	3.8
256.07278	6.2
261.04031	0.8
267.06525	2.2
270.05273	1.7
271.06058	7.5
271.17303	0.7
281.08078	1.2
283.06015	50.6
284.06799	23.9
285.07443	1.8
294.05139	1.3
295.06027	37.0
296.06741	1.4
297.07541	10.4
305.08057	1.0
307.06064	6.7
308.06757	2.5
309.04431	1.0
309.07623	6.2
311.05441	3.0
313.07056	100.0
314.07370	1.9
321.07571	2.7
323.05533	1.8
323.09189	5.8
325.07068	9.0
327.08459	0.9
333.07419	3.7
334.08075	0.8
335.09177	1.3
337.03195	1.4
337.07062	20.8
341.06802	1.0
343.08154	4.6
345.07626	1.3
347.09259	0.9
349.06992	4.3
351.08618	3.7
355.08228	1.4
361.07193	5.1
363.08487	1.7
367.08035	2.0
379.08127	13.5
391.08069	2.7
397.09021	4.3
403.07941	0.8
409.09036	6.2
415.09735	1.0
427.10211	6.3
433.08807	0.6
445.11224	1.1
451.09842	0.7
458.37207	0.7
469.12048	0.8
475.10440	1.1
481.11212	2.2
483.09351	0.7
493.11469	1.3
499.12091	1.3
511.12872	3.5
529.09216	12.2
547.10724	21.0
565.11902	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28106	13.8
55.05513	33.9
57.03432	41.7
67.05512	92.7
69.03431	27.9
69.07071	49.2
70.06602	17.3
71.38484	27.6
79.05488	79.6
81.03423	29.2
81.07064	81.5
83.04964	18.3
83.08638	15.3
85.02921	24.7
91.05489	53.3
93.07025	92.6
95.04993	14.5
95.08614	39.6
96.56337	13.6
97.06525	28.0
99.41349	15.5
105.07018	49.1
107.08585	65.2
109.10174	26.9
111.79774	13.9
117.07065	26.0
119.08571	41.5
121.10168	26.8
129.07021	14.3
131.08533	22.9
133.10098	36.5
135.11705	43.6
145.10097	24.5
147.11703	19.2
149.09651	27.1
149.13274	31.9
154.08557	15.2
173.13277	18.8
177.12755	31.0
177.59074	15.9
247.26247	15.0
255.15936	46.6
269.17422	100.0
275.20023	39.9
283.05902	18.4
349.23718	94.8
367.24988	32.6
433.11551	15.1
564.33685	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	564.447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22761	11.5
55.05497	46.4
57.07072	33.2
63.32882	13.9
64.16026	12.8
67.05492	57.8
68.05833	22.9
69.07050	54.2
71.04981	35.1
71.08614	37.1
71.50208	30.5
72.69661	11.9
79.05473	39.6
81.07068	100.0
82.07386	34.1
83.08615	34.7
85.10191	15.4
89.06042	34.0
91.05470	45.9
93.07032	59.1
95.08613	73.8
97.06533	17.0
97.10196	23.4
105.07019	21.7
107.08597	42.3
133.08589	17.5
133.10153	25.9
135.11673	28.1
146.06012	14.3
152.11575	18.2
152.43465	13.3
221.15366	39.0
231.04019	13.8
250.01402	13.8
269.30164	16.0
283.06854	15.4
311.00641	13.8
425.56195	13.1
437.36292	37.1
455.37485	27.4
511.40524	17.5
520.39459	17.2
529.41138	95.1
564.41302	55.0
565.40216	34.3
580.05847	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	564.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90365	0.5
57.03429	0.9
59.05003	6.0
65.35278	0.7
69.03444	0.8
69.39865	0.7
69.60201	1.3
69.60615	2.3
70.06590	2.7
72.20885	0.6
73.06551	0.7
74.09717	1.3
75.62955	0.7
75.86959	0.6
84.08159	0.8
84.76565	0.7
85.02917	3.2
86.09708	1.2
87.04469	3.9
89.06036	100.0
91.97025	0.8
97.02890	1.4
103.07586	2.4
107.04955	2.9
107.07095	1.1
108.05304	1.0
109.02899	0.8
115.73313	0.6
116.07126	0.9
119.04941	1.9
121.02837	1.0
123.04463	1.6
127.03928	1.9
131.07091	1.2
132.46342	0.7
133.08607	50.3
135.04457	1.2
138.02719	0.7
139.03937	2.7
140.04259	0.8
143.54622	0.7
144.08066	1.2
147.04448	1.4
147.10175	1.3
151.03963	0.8
163.03809	1.0
164.04288	0.6
176.12508	0.7
177.11224	17.2
184.90375	0.7
191.03459	1.3
191.12820	1.1
195.12320	0.8
203.03473	1.2
221.13835	4.0
239.14828	3.1
268.07169	0.7
278.62402	0.7
283.05997	3.5
283.17517	4.3
287.05673	0.9
295.06052	1.5
307.06158	0.9
311.05075	0.8
312.05881	1.3
313.07080	3.6
323.09229	0.7
324.05795	0.7
325.06973	1.1
327.20151	46.1
328.20557	1.3
337.07260	2.0
340.09305	0.8
363.08603	0.8
366.07358	0.8
367.08170	0.8
379.08533	1.9
385.24347	26.8
391.08304	1.2
396.08029	1.6
414.08939	1.1
415.10095	1.1
422.10776	0.7
427.09982	1.1
433.11285	1.9
498.11612	0.7
565.15698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01864	8.6
55.05511	42.8
57.03435	15.2
57.07078	6.6
57.83121	3.0
58.81234	3.0
59.04964	3.1
59.32889	3.0
64.56203	3.1
65.03928	6.2
67.05505	96.3
69.03423	7.1
69.07067	33.1
69.78687	17.9
71.04985	10.9
79.05492	75.2
81.03427	16.7
81.03806	3.1
81.07056	100.0
83.04970	13.1
83.08620	23.2
85.06547	4.9
91.05484	57.9
93.07040	89.9
95.04953	11.7
95.08606	75.9
97.06542	16.2
97.10182	22.2
104.00790	3.1
105.07032	61.3
107.04979	3.5
107.08595	55.7
109.06480	4.2
109.10159	46.6
115.05461	3.9
117.07020	22.2
119.07805	5.2
119.08580	56.0
121.06495	7.7
121.10152	45.9
122.01168	3.0
123.08080	7.1
123.11698	11.3
125.09630	12.7
129.07016	16.7
131.08574	40.5
133.10149	36.0
135.11667	25.0
137.09700	5.0
139.11206	9.0
142.07793	3.8
143.08601	15.1
145.10114	34.4
147.11673	22.3
149.09596	6.8
149.13254	15.9
153.12666	4.6
155.08501	6.1
157.10133	13.1
159.11717	25.8
161.13246	15.0
163.11192	5.1
163.14839	3.9
165.12717	4.4
169.10205	7.8
171.11652	17.2
171.27037	3.0
173.11914	3.0
173.13214	16.1
175.11205	4.7
175.14853	10.7
177.12830	3.9
181.10208	4.3
183.11716	7.1
184.07408	3.6
185.13254	9.5
187.14828	7.9
189.11230	9.3
193.12268	5.7
195.11755	4.0
197.13318	5.6
199.14809	4.7
201.16385	4.2
203.12660	5.4
203.23630	3.4
213.16411	4.5
227.12787	9.6
229.14375	5.3
241.14453	7.1
243.21127	3.8
259.15323	6.8
259.20645	5.8
261.22116	7.9
267.15891	10.7
269.17548	3.9
269.22949	3.8
273.22284	4.7
287.18161	4.0
287.23758	11.0
289.21582	10.0
301.25217	13.3
305.24585	4.8
315.23322	4.2
335.25787	13.2
341.24454	4.5
363.25208	5.6
417.31567	4.1
435.32611	12.8
453.33725	15.3
471.34708	17.2
527.29865	5.2
527.37366	54.7
545.38367	66.8
558.11957	3.6
563.39172	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	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
54.09946	1.8
54.17539	1.8
55.01870	4.2
55.05511	18.3
57.03424	6.4
57.07078	2.4
65.03915	3.0
67.05508	61.6
69.07064	19.0
70.09808	7.2
71.04974	4.8
71.90075	1.6
75.57411	1.8
79.05497	42.2
81.03411	1.8
81.07059	100.0
83.04976	7.7
83.08614	10.3
85.06545	4.4
91.05481	33.2
93.07052	44.5
95.04965	4.3
95.08608	50.3
97.06533	6.4
97.10181	3.9
98.20721	2.3
99.08082	2.7
103.05444	2.2
105.07027	39.9
105.97352	1.6
107.04915	2.5
107.08594	28.3
109.06539	4.4
109.10162	20.7
111.08088	3.4
117.07010	7.1
119.08585	28.8
121.10150	28.4
123.08073	3.5
123.11723	23.4
125.09619	2.1
127.07495	2.2
129.06993	4.4
131.08598	12.8
133.10124	14.1
135.11696	12.6
137.09648	2.6
137.13289	4.1
137.41837	2.0
143.08607	3.0
145.10178	8.4
147.08075	2.2
147.11693	48.2
147.25986	2.2
149.09621	3.5
149.13251	8.0
157.10133	2.9
159.11668	7.8
161.13219	5.2
163.11241	2.2
163.14845	4.0
165.12773	19.5
173.13263	9.6
175.11205	2.6
183.13898	2.8
185.13322	1.9
187.01910	1.8
187.14728	3.0
193.12125	2.3
227.12738	3.5
229.14342	4.4
243.21042	6.4
261.22180	27.6
267.15948	29.1
269.17322	2.2
279.23221	4.9
285.17010	33.0
317.24783	6.8
335.22018	3.1
335.25781	31.4
453.33591	5.3
471.34189	3.9
527.37421	8.7
545.38348	24.2
563.38214	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01856	4.1
55.05272	1.6
55.05514	21.9
57.03435	11.0
57.07072	3.1
59.99816	1.4
63.29272	1.4
65.03941	2.9
67.05507	71.3
69.03386	1.7
69.07069	22.5
71.04974	4.4
77.03924	1.4
79.05496	45.9
81.03382	1.8
81.07058	100.0
82.72076	1.2
83.04995	7.3
83.08622	11.5
85.02903	3.6
85.06539	4.8
89.03893	1.3
91.05483	31.8
91.18250	1.2
93.07047	49.1
95.04967	5.3
95.08611	51.6
96.08952	1.7
97.06525	12.2
97.10162	5.3
99.08080	4.2
105.07032	39.5
105.99741	1.4
107.08605	30.9
109.06506	5.2
109.10163	20.2
111.08110	2.8
117.07006	7.0
119.08582	33.9
121.09249	1.5
121.10145	30.9
123.08044	5.0
123.11706	24.3
125.09618	3.1
129.07007	3.3
131.08556	14.1
133.10156	18.8
135.11700	18.3
137.09572	2.7
137.13246	4.2
139.11200	2.3
143.08534	4.0
145.10129	13.5
147.11693	46.8
149.09618	4.3
149.13286	10.2
153.12674	1.6
157.10106	4.6
159.11742	11.8
160.96680	1.3
161.13261	8.1
163.11076	1.7
163.14803	4.4
165.12781	16.6
171.11726	3.1
173.13239	7.6
175.11203	3.4
175.14838	3.5
177.12778	2.3
183.11720	1.9
183.13829	3.3
185.13213	2.0
186.28000	1.5
187.14810	3.2
193.12268	3.3
201.16411	2.6
211.13126	1.5
229.14273	7.1
233.22617	2.0
243.21042	5.9
261.22141	32.4
267.15936	30.7
269.17551	2.2
277.21588	2.5
279.23132	3.5
285.16962	30.1
310.24582	1.6
317.24774	8.0
319.56384	1.6
335.25839	44.8
453.33817	4.3
471.34634	4.6
489.35632	1.8
527.37506	12.0
545.30597	2.4
545.38422	36.5
563.38123	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	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01868	2.1
55.05513	16.6
57.03438	8.4
57.07066	2.6
65.03928	2.0
67.05502	57.2
69.03406	1.4
69.07069	14.3
70.89699	2.5
70.90018	1.6
71.04971	3.8
79.05494	30.6
81.07056	100.0
82.07409	1.7
82.47948	1.3
83.04967	5.2
83.08619	10.3
85.02927	1.5
85.06538	3.8
91.04916	1.4
91.05480	30.4
93.07043	34.4
95.04974	3.3
95.08607	40.6
97.06522	6.0
97.10135	3.0
99.04446	2.7
99.08101	2.1
105.07030	36.8
107.08595	25.7
109.06522	4.9
109.10153	17.1
117.07023	4.3
119.07806	2.3
119.08582	27.2
121.09322	2.5
121.10136	24.9
123.08061	2.3
123.11703	24.5
127.07514	2.5
131.08574	9.3
133.10124	10.6
135.11710	10.8
137.13248	4.3
143.08574	2.1
145.10118	7.0
147.11693	47.3
149.13313	8.0
157.10155	2.3
159.11713	4.5
161.13264	4.4
161.38499	1.3
163.14807	4.0
165.12750	24.8
171.11731	1.7
173.13303	4.3
175.11099	1.3
175.14813	2.3
183.13792	3.8
187.14810	2.4
193.12222	1.7
211.13263	7.8
229.14354	4.3
243.21121	7.7
261.22141	29.0
267.15909	35.2
279.23199	5.0
285.16968	38.8
317.24796	5.8
335.25769	41.5
335.32004	1.9
353.26828	3.2
377.53647	1.5
435.32565	1.3
453.33530	2.7
471.34610	4.5
477.90906	1.5
527.37305	6.7
545.38446	18.7
563.39532	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	562.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.8
59.05004	100.0
61.02934	1.0
67.05513	1.3
70.06595	5.6
71.01057	1.6
71.01421	1.1
72.08170	2.6
73.06564	0.9
75.50179	0.7
79.05537	0.9
81.03411	1.4
81.07028	1.4
84.04520	1.2
84.08161	2.5
85.02921	2.3
86.09697	5.4
87.04469	6.5
89.06036	82.3
91.05497	1.2
93.54958	0.8
97.06510	1.1
98.21025	1.0
99.08151	1.1
103.07616	2.3
103.97374	0.8
106.06556	0.8
107.07089	1.1
107.08652	1.1
109.02875	0.9
110.07178	1.3
117.09138	25.9
119.08619	1.0
120.08120	2.4
123.04417	1.1
129.10243	1.1
130.08653	1.2
131.07121	2.3
133.08609	52.9
136.07637	1.1
137.05963	0.9
147.04494	1.0
147.10170	1.0
151.09666	1.0
161.11803	1.6
162.05562	2.4
175.09738	1.2
175.13242	5.8
177.11232	21.8
177.12675	1.4
190.05035	2.2
191.12927	1.1
195.12289	1.0
207.06586	1.2
221.13806	4.7
221.56500	0.8
232.42780	0.7
239.14905	1.0
265.16702	1.4
283.17661	2.8
327.20230	3.8
371.22791	19.6
371.27185	1.2
413.36142	0.8
429.27167	2.6
545.36011	1.3
562.25104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
54.17789	1.9
55.05513	21.4
55.99782	1.6
57.03444	9.2
57.07076	3.4
65.03923	2.7
67.05507	73.0
69.07069	22.4
71.04992	6.8
71.15057	2.5
71.15385	2.8
79.05491	43.0
81.07058	100.0
83.04978	7.2
83.08611	12.6
85.02898	7.3
85.06542	5.6
91.05478	34.5
93.07044	47.4
95.04976	5.7
95.08608	55.7
95.09064	1.2
97.06536	7.7
97.10161	4.9
99.08110	4.2
105.04514	2.6
105.07032	43.5
105.07699	3.1
107.08595	32.4
109.06529	3.6
109.10157	25.1
111.08076	4.0
113.06022	2.4
113.09651	2.0
117.07037	9.9
117.09312	1.6
119.08575	30.3
119.09373	2.3
121.10145	26.3
123.04395	2.1
123.08097	2.8
123.11705	21.9
125.09608	3.4
127.07587	1.8
129.07060	2.6
131.08560	16.8
133.10141	18.3
135.11711	13.5
137.09686	1.8
137.13245	5.2
139.11174	3.2
141.92450	1.9
143.08545	3.1
145.10152	11.0
147.11694	47.5
149.09697	4.3
149.13237	9.3
151.11113	1.8
159.11652	10.8
161.13249	6.7
163.14804	4.2
165.12773	20.1
169.10127	2.0
171.11684	2.3
173.13274	9.5
175.14864	3.5
183.11781	2.3
185.13254	3.1
187.14841	3.9
189.11153	2.4
193.12244	2.5
197.13260	1.9
199.14850	3.3
211.13234	3.1
213.25027	1.9
229.14282	4.7
243.21101	8.7
261.22122	25.5
267.15952	32.8
279.23209	4.5
285.16977	28.8
317.24811	7.4
335.25815	48.7
340.65604	1.8
353.26761	2.5
435.32565	2.1
453.33548	4.9
471.34607	5.4
527.37244	11.7
545.38428	28.5
563.38971	7.9
589.67877	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	562.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22046	5.6
52.60239	6.7
53.03940	11.1
55.01863	6.3
55.05510	16.3
57.03438	13.6
67.05496	35.4
69.03420	9.9
69.07082	11.9
70.06607	10.2
71.04961	6.3
71.49356	7.8
79.05505	28.8
80.85787	5.8
81.03421	87.5
81.07069	35.2
83.04971	12.8
83.08602	25.9
85.02912	12.6
91.05475	44.4
93.07053	17.0
95.04964	23.6
95.08610	12.4
105.07038	29.9
107.04980	8.5
107.08602	15.4
109.10201	7.7
111.08098	9.6
119.08564	16.0
121.10162	11.6
129.06993	16.6
131.08568	14.2
133.10112	13.3
145.10156	7.5
147.11655	13.6
149.14645	6.2
157.10127	14.6
166.94798	5.5
175.11177	11.1
193.12225	26.7
193.99774	6.3
211.13324	21.3
267.15897	100.0
285.16925	21.7
367.22717	9.2
385.23697	20.2
459.27426	47.5
477.28625	46.4
523.36108	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	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03196	5.7
55.01870	10.8
55.05513	34.4
56.36267	5.0
57.03427	13.0
67.05513	44.8
69.03414	12.7
69.07069	37.5
70.06586	8.5
79.05477	33.3
79.37486	5.0
81.03423	80.6
81.07063	48.0
83.04956	22.9
83.08621	28.1
85.02930	11.8
85.06500	5.2
91.05486	33.4
93.07045	31.0
95.04942	34.3
95.08585	21.6
97.02870	17.9
97.10163	21.3
98.21619	13.0
105.07029	30.6
107.04975	8.1
107.08595	20.3
109.10139	13.3
111.08054	5.7
117.06976	6.8
119.08608	28.5
121.06567	10.0
121.10125	10.5
123.08045	9.5
125.09624	14.3
129.07025	15.6
131.08557	18.2
133.06441	9.2
133.10144	14.6
134.02911	5.3
135.08043	6.1
143.08632	5.0
145.10063	7.4
147.07961	6.7
147.11633	12.8
149.09630	10.1
157.10080	10.5
163.11134	7.5
165.53162	5.7
175.11218	11.1
193.12270	20.2
211.13217	17.9
223.13321	17.3
227.12811	7.2
228.62878	5.7
267.15933	58.8
273.18524	14.8
285.16922	21.2
291.19531	90.6
311.14194	5.7
319.14774	5.5
358.88699	5.4
365.23245	100.0
385.23721	6.8
459.27335	30.9
477.28705	32.8
504.84973	5.5
544.36267	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.5
55.01861	11.4
55.05519	20.8
57.03446	16.2
61.02911	5.4
65.03915	3.0
67.05507	63.9
69.03422	7.7
69.07065	20.5
70.10152	2.9
71.04978	8.5
71.49784	4.6
79.05499	37.1
81.03424	36.6
81.07063	59.7
82.07370	5.6
83.04977	14.9
83.08614	13.0
85.02893	13.1
85.06534	5.8
86.09688	4.7
91.05486	53.4
93.07050	39.6
95.04967	16.6
95.08605	22.1
97.02878	4.3
97.06521	11.3
97.10186	3.9
105.07036	50.4
107.04951	14.1
107.08590	37.8
109.06531	10.4
109.10165	48.3
111.08091	8.9
117.07018	10.8
119.08623	16.9
121.06497	5.6
121.10143	12.7
123.08041	4.2
123.11716	7.5
129.06993	9.6
131.08574	14.9
133.06531	5.7
133.10132	64.4
135.08026	5.8
135.11700	7.5
143.56874	3.7
144.11201	3.7
145.10121	7.3
147.11647	5.2
149.09619	9.7
151.11180	30.1
157.10091	3.6
161.09616	9.8
169.12111	7.0
175.11185	8.4
177.09206	5.0
179.10616	3.5
181.32047	3.1
184.11998	3.5
193.12222	11.4
211.13295	11.4
245.18909	3.9
247.20787	3.4
253.11691	5.9
253.14368	100.0
263.19983	4.7
267.15869	19.6
271.15298	16.3
273.18530	17.2
278.41669	3.2
285.17001	6.8
291.19479	16.1
347.22141	6.7
365.23239	82.2
383.24197	4.0
385.23642	5.1
419.75418	3.5
459.27136	19.1
477.28369	25.1
544.37378	6.4
562.38550	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	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.9
51.96801	1.1
52.60101	1.0
53.03950	5.1
55.01870	3.0
55.05515	21.1
57.03437	4.8
57.07066	2.3
59.04992	1.7
65.03941	3.0
66.40353	1.0
67.05507	72.1
69.03427	3.2
69.07068	17.8
70.99557	1.4
70.99887	2.0
71.04999	37.2
78.70490	1.0
79.05496	52.9
81.03421	1.4
81.07061	86.4
83.04979	8.2
83.08621	7.8
85.06552	5.4
91.05487	50.9
91.05917	1.1
93.07049	57.5
95.04967	7.5
95.08611	39.7
97.06530	7.4
97.10180	2.9
99.04461	1.2
99.08100	1.5
103.05475	1.3
105.04536	1.4
105.07040	30.4
107.04943	1.8
107.08598	33.6
109.06522	2.6
109.10163	19.0
111.08092	3.8
117.07041	10.3
119.08585	16.2
119.09366	1.4
121.06548	1.1
121.10146	21.2
123.08091	2.4
123.11710	12.8
125.09644	2.3
129.06976	2.4
130.07857	1.1
131.08577	13.8
133.10144	28.3
135.11693	19.4
143.08498	1.6
145.10123	13.4
147.11719	4.5
149.13300	7.7
151.11188	9.6
157.10172	1.6
159.11697	12.9
161.13319	6.1
163.11171	7.8
163.14848	2.0
163.22289	1.0
169.10184	1.2
169.12215	1.2
171.11681	2.9
173.13278	3.0
175.14870	1.9
177.12770	3.1
179.14313	1.6
181.12248	2.8
183.12051	1.7
183.13791	10.6
185.13286	2.2
185.51294	1.0
187.13321	1.8
187.14915	2.0
195.13878	3.0
199.14848	1.7
201.16420	1.3
209.11708	1.2
227.12825	13.9
227.16313	1.5
243.21080	2.5
253.14412	2.8
257.17462	1.7
261.22113	7.0
272.93076	1.1
273.18631	1.5
283.15540	3.9
283.19049	2.7
285.16980	1.7
291.19794	2.4
317.24738	2.6
327.65692	1.1
335.25873	11.9
363.25327	3.0
404.06149	1.2
455.34952	1.8
508.66409	1.2
511.38043	1.3
517.38953	16.1
529.38818	16.6
543.36713	8.9
561.40411	100.0
562.40881	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	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.1
53.03946	6.7
55.01878	2.7
55.05513	23.2
57.03443	5.4
57.07077	2.9
57.84031	1.1
61.02955	1.6
61.65292	1.1
65.03950	4.9
67.05505	80.1
69.03432	1.9
69.07069	17.6
71.04993	56.9
77.03944	1.3
79.05493	63.3
81.03436	1.6
81.07056	100.0
83.04977	10.8
83.08615	10.6
85.06541	6.8
91.04984	0.9
91.05480	63.0
93.07044	68.7
95.04970	6.1
95.08608	37.8
97.06520	7.9
97.10180	2.6
98.20730	1.9
99.08087	1.5
100.31626	1.0
103.03903	1.3
103.05474	1.5
105.04540	2.5
105.07034	34.3
105.07686	2.2
107.04951	1.1
107.08595	37.5
107.09303	1.9
109.06539	3.9
109.10148	18.4
111.08095	4.5
111.63696	1.0
113.09644	1.1
115.05467	1.2
117.07018	11.0
119.08582	13.6
121.10146	26.2
123.08042	1.5
123.11714	19.3
129.07043	2.8
131.08563	14.7
133.10132	33.4
135.08069	1.4
135.11693	16.0
143.08595	1.2
145.10121	7.7
147.11710	3.8
149.13264	15.0
151.11174	16.0
157.10172	1.9
159.11696	12.4
161.13269	6.4
169.10147	1.9
173.13330	4.2
174.13890	1.1
175.14867	1.6
177.12773	3.9
183.13808	20.1
185.13315	1.4
187.13376	2.7
187.14883	2.3
195.13809	7.4
201.14952	1.9
206.48236	1.1
227.12740	1.1
227.16476	2.2
243.21146	1.8
257.17413	2.4
261.22241	4.2
269.17648	3.2
283.19217	3.9
285.16986	4.9
311.45117	1.1
317.24902	2.4
335.25958	1.1
349.27551	1.1
361.27664	2.3
363.25443	3.2
366.95456	1.1
372.19885	1.2
372.76761	1.2
517.38922	30.8
529.38757	11.8
543.37134	1.6
561.41412	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
55.01851	2.4
55.05277	1.5
55.05513	20.9
57.03426	4.2
57.07073	2.3
59.21902	1.1
65.03931	3.2
66.45091	1.3
67.05505	85.7
69.03418	1.7
69.07070	18.0
69.14608	8.3
69.15030	5.2
71.04990	58.5
71.39823	1.3
77.03934	1.3
79.05493	62.8
81.03411	2.1
81.07057	100.0
83.04969	10.4
83.08619	14.5
85.06526	6.5
87.04463	1.3
91.05479	69.2
93.07043	71.1
95.04980	8.0
95.08607	37.3
97.06528	9.3
97.10155	3.4
98.67685	1.2
99.08091	2.9
103.05466	1.1
105.04482	2.9
105.07029	36.0
105.07699	2.7
107.04984	1.4
107.08591	33.7
109.06529	3.6
109.10168	20.6
110.87997	1.5
111.08081	4.6
115.05475	1.7
117.07011	12.9
119.08581	15.2
120.62019	1.4
121.10149	25.2
122.67129	1.2
123.11712	21.6
123.87862	1.1
125.09615	1.8
131.08560	16.1
133.10130	35.1
135.11674	14.2
136.43976	1.4
143.08531	2.0
145.10114	10.0
147.11664	9.3
149.09639	1.9
149.13268	16.2
151.11189	16.0
157.10103	2.4
159.11697	14.0
161.13269	6.0
169.10214	1.4
171.11769	1.4
173.13269	4.8
175.14832	1.9
177.12741	4.5
179.14273	1.3
180.82111	1.4
183.13770	18.3
185.13237	2.5
187.13307	2.0
187.14803	2.8
195.13841	5.5
197.13159	1.6
209.15289	1.5
217.87445	1.1
227.16454	2.0
241.17946	1.3
253.17943	1.8
259.20715	2.8
261.21985	6.4
269.17529	1.8
283.19113	4.1
285.17007	4.8
361.27405	2.7
363.25381	4.1
437.34079	3.3
455.34869	2.5
511.37466	1.8
517.38940	28.4
529.38818	23.1
561.41479	67.7
562.41827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01862	10.0
55.05511	32.9
57.03424	9.0
57.07073	5.0
59.04995	2.7
67.05508	100.0
68.05849	2.8
69.03432	3.8
69.07069	29.3
71.04986	10.1
71.50084	3.8
72.93327	2.2
77.03932	2.9
78.59641	3.3
79.05497	76.2
81.03398	9.1
81.06599	4.8
81.07061	85.5
83.04997	24.4
83.08633	14.6
85.02911	3.8
85.06545	6.8
91.05489	67.4
93.06491	5.4
93.07050	83.8
95.04984	17.0
95.08611	51.8
97.02891	3.7
97.06564	13.4
97.10150	9.3
99.04434	3.6
99.08099	3.7
105.07034	44.6
107.04955	10.2
107.08608	57.6
109.06509	5.5
109.10168	32.8
111.04438	27.7
111.08097	13.0
115.05456	3.0
117.07047	16.4
119.08581	35.6
120.97955	2.8
121.06529	5.1
121.10150	44.1
123.08030	3.6
123.11723	9.0
125.09624	5.7
128.06281	3.4
129.07018	7.9
131.08556	29.1
133.10135	34.2
135.08070	5.4
135.11697	37.5
137.09627	5.0
143.08572	6.5
145.06346	3.1
145.10120	27.6
147.08089	3.9
147.11729	14.5
149.09651	7.4
149.13252	11.4
151.11157	5.5
151.30814	2.7
153.12770	15.7
155.08607	3.9
157.10133	8.0
159.11708	11.4
161.09598	2.6
161.13251	7.1
163.11195	29.1
163.14723	2.8
169.10165	4.7
171.11670	7.8
173.09659	7.1
173.13268	6.6
175.11116	2.9
175.14769	4.0
181.12254	23.6
183.11754	5.3
187.14859	5.9
189.11189	3.4
191.10635	20.7
195.11754	3.3
199.14793	4.1
209.11707	33.4
209.13438	3.9
227.12766	32.0
243.21045	5.4
245.13667	2.9
261.22183	20.4
275.19891	3.9
277.21701	3.1
283.15384	29.4
317.24661	5.4
333.24292	3.6
335.17264	2.5
335.25806	8.3
351.56018	2.5
433.30914	4.8
451.31961	10.6
469.32895	10.9
487.33997	6.6
515.36615	4.1
525.35614	9.7
543.36652	50.8
561.37610	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80965	1.9
53.03941	4.6
55.01866	5.8
55.05517	21.0
57.03445	11.3
57.07069	2.9
59.26928	1.7
60.69825	1.6
64.12208	1.9
65.03929	3.2
67.05503	59.2
69.03407	2.1
69.07069	20.5
71.05006	4.5
71.50614	3.0
72.52219	1.7
78.65039	1.6
79.05493	56.3
81.03413	6.3
81.07058	100.0
83.04976	8.5
83.08613	9.3
85.02895	2.2
85.06526	7.0
91.05483	62.3
93.06486	3.6
93.07046	48.1
95.04965	8.6
95.08057	3.6
95.08612	35.6
97.02882	2.0
97.06521	10.3
97.10185	4.3
99.08087	4.8
99.56736	1.8
101.06023	2.0
105.07034	65.1
107.04976	2.9
107.08595	33.9
109.06512	6.0
109.10162	15.5
111.08113	2.7
117.07022	17.5
119.08582	62.2
121.06548	2.3
121.10143	33.3
121.21838	1.9
123.08073	3.7
123.11710	25.2
125.09612	3.1
127.07619	2.6
129.07045	8.8
131.08559	21.1
133.06427	2.5
133.10141	30.9
135.08090	2.4
135.11690	10.6
137.09578	2.3
137.13301	3.1
141.07071	2.3
143.08566	9.8
145.10120	19.3
147.08139	1.9
147.11688	78.0
149.09650	3.0
149.13263	8.3
151.11232	2.3
155.08562	2.5
157.10152	9.8
159.11678	12.9
161.09682	3.0
161.13239	24.2
163.11171	3.5
163.14842	3.4
165.12772	24.7
169.10159	2.6
171.11725	8.1
173.09612	2.9
173.13264	8.5
175.11215	5.1
175.14847	11.2
177.12817	2.1
183.13829	3.7
185.13269	10.9
187.14806	5.3
193.12222	2.8
197.13297	3.4
199.14867	5.1
201.25682	1.9
211.13295	5.2
215.17896	1.7
229.14328	4.9
231.21077	6.7
241.19545	25.7
259.20575	56.3
267.15921	26.2
275.20016	3.0
277.21701	4.2
285.16959	50.2
291.19580	2.7
315.23157	5.4
333.24271	33.5
351.25443	4.3
405.50452	1.8
433.30536	2.7
469.32974	2.8
517.35138	1.9
525.35712	2.3
543.37054	15.5
561.38525	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09690	2.0
53.03939	5.5
55.01871	6.3
55.05510	24.1
57.03421	8.3
57.07055	4.6
62.03231	2.0
64.01743	2.6
65.03934	4.0
67.05508	68.4
68.11441	2.1
69.03422	4.4
69.07054	17.6
70.67155	5.4
71.05002	5.5
79.05495	67.2
81.03435	4.1
81.06595	4.2
81.07056	73.3
83.04988	5.2
83.08633	14.0
85.06560	2.6
89.05990	3.8
91.05492	29.2
93.07043	79.5
95.04975	12.8
95.08613	73.2
97.02873	7.2
97.06519	6.7
97.10148	6.0
98.44043	2.4
99.04369	3.0
103.05463	2.7
105.07031	23.6
107.04978	10.7
107.08591	51.7
109.06513	4.3
109.09565	2.5
109.10178	24.4
111.04418	4.9
111.08061	3.5
113.09697	2.2
117.07025	21.7
119.08574	25.3
121.06541	5.8
121.10144	32.0
123.08067	3.1
123.11720	11.0
125.05946	2.4
129.07019	4.5
130.07780	2.9
131.08551	15.8
132.63612	2.2
133.10139	16.1
135.08055	4.0
135.11696	53.5
139.07500	3.2
142.81276	2.5
143.08563	4.2
145.10123	42.1
147.07964	2.7
147.11667	8.8
149.13243	7.5
151.11136	3.2
159.11658	9.3
161.13228	4.7
163.11176	51.9
163.14813	4.2
166.32135	2.7
173.09692	4.1
173.13219	7.9
177.12779	3.3
181.12189	13.3
187.14903	4.5
202.82710	2.4
209.11702	9.7
227.12790	100.0
243.21109	4.4
261.22125	30.7
275.20154	3.3
277.21722	3.0
283.15402	47.5
299.23840	2.7
317.24774	10.5
335.25800	56.4
354.43417	2.3
367.80249	2.5
469.33032	4.6
487.34460	2.6
525.35730	3.5
543.36871	35.8
561.37708	24.1
586.62128	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01867	10.1
55.05518	21.3
57.03418	10.8
57.07074	4.1
67.05506	94.9
69.07081	26.4
70.62288	7.1
70.62626	4.5
71.05010	4.1
79.05077	4.8
79.05498	68.3
81.03430	4.0
81.07059	84.7
83.04998	7.4
83.08617	16.1
85.06548	4.4
91.05481	46.5
93.06483	6.4
93.07045	91.0
95.04965	13.9
95.08614	88.1
97.02865	5.0
97.06538	9.6
97.10180	5.7
99.04462	4.1
105.07036	33.5
107.04942	10.9
107.08598	57.6
109.06535	4.4
109.10161	24.9
117.07036	21.9
119.08598	29.0
121.06488	7.5
121.10151	37.5
123.11709	12.1
131.08583	26.5
133.10136	18.2
135.11702	62.2
137.13225	3.2
143.08578	5.0
145.10127	39.3
147.11653	9.0
149.09613	9.2
149.13254	10.2
157.10147	5.4
157.84641	3.3
159.11690	10.4
161.13266	7.4
163.11191	59.1
163.14812	9.1
173.13274	8.4
175.14783	5.1
181.12286	12.9
191.10715	6.6
193.19839	3.5
209.11725	8.0
221.32967	3.1
227.12793	100.0
243.21127	11.4
261.22070	41.4
275.20062	5.9
283.15417	38.0
317.24881	16.3
335.25818	77.3
469.33066	3.6
525.35858	4.2
543.36719	52.4
555.52844	3.2
561.37689	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01863	3.0
55.05513	16.4
57.03433	7.1
57.07075	4.1
65.03950	2.7
67.05506	50.6
69.07069	14.5
69.22745	17.3
69.23159	3.8
71.05001	6.8
79.05498	42.1
81.03437	2.4
81.07059	57.9
82.76188	2.1
83.04984	4.4
83.08628	9.7
91.05481	25.6
93.06484	3.9
93.07050	54.2
95.04971	6.8
95.08610	64.8
97.06517	5.7
98.20721	4.3
99.04457	5.8
103.65937	2.2
105.04510	2.8
105.07038	21.2
106.49054	1.9
107.04939	9.2
107.08596	41.1
109.10145	15.6
111.04426	2.5
113.47481	2.0
117.07034	14.0
119.08596	19.8
121.06522	4.5
121.10157	23.7
123.11706	5.1
125.83344	2.4
130.07791	3.8
131.08612	5.2
132.54922	2.1
133.10139	8.6
135.11690	51.8
137.13306	3.0
139.07506	2.6
145.10124	30.7
147.11694	8.1
149.13272	6.4
152.22060	2.2
159.11676	5.1
161.13318	5.1
163.11183	56.3
173.13304	5.7
181.12283	12.7
227.12787	100.0
243.21143	5.0
261.22205	24.0
283.15366	39.7
317.24756	6.2
335.25815	51.8
396.69250	2.2
543.37018	28.0
561.39899	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	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01865	6.4
55.05514	21.8
55.28340	1.8
57.03443	9.8
57.07066	3.7
65.03944	2.5
67.05505	80.6
69.03419	2.4
69.07075	18.2
70.07434	9.9
71.04983	16.5
79.05492	69.3
81.03429	3.2
81.07055	87.3
81.07533	4.9
83.04978	7.4
83.08613	13.6
85.06541	4.0
91.05481	41.7
93.07042	81.2
95.04968	8.2
95.08608	77.9
97.02901	3.0
97.06509	4.4
97.10170	4.8
99.04465	4.2
105.04511	3.1
105.07030	29.7
107.04977	8.9
107.08599	54.2
109.06504	3.6
109.10152	23.9
113.89032	2.0
117.07006	11.7
119.08572	21.0
121.06504	8.1
121.10146	33.8
123.08120	2.7
123.11694	9.8
130.07790	2.6
131.08578	16.0
133.10100	19.9
135.08156	3.2
135.11685	52.3
137.13263	2.4
145.10121	35.8
147.11687	6.7
147.44501	2.2
149.13266	9.5
151.11214	6.3
159.11690	10.0
161.13226	4.5
163.11183	57.2
163.12564	3.4
163.14839	3.2
173.13286	6.3
181.12196	10.6
183.13853	4.6
187.14806	4.5
195.13773	2.0
209.11859	3.0
227.12773	100.0
243.21172	7.6
261.22125	31.7
283.15387	32.5
284.15591	2.4
291.19543	3.5
317.24789	11.3
335.25800	73.8
411.33014	2.3
517.38879	6.0
529.38934	6.9
543.36774	38.4
561.40076	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01541	2.4
53.03936	6.8
55.01867	16.8
55.05516	30.7
57.03441	7.4
57.07077	3.5
59.04999	3.1
65.03931	6.1
66.53912	2.8
66.54262	3.0
67.05506	89.4
67.20577	2.5
69.07073	26.4
70.94617	7.0
71.04999	10.1
79.05498	78.7
81.03412	7.3
81.07058	83.5
83.04974	32.2
83.08632	15.3
84.61631	2.6
85.02932	3.8
85.06579	4.3
88.94890	2.5
91.05489	51.4
93.06491	4.8
93.07051	82.5
95.04962	13.3
95.08614	55.4
97.02927	4.4
97.06519	14.5
97.10167	5.1
99.04468	6.1
102.04973	2.9
105.04467	3.4
105.07028	35.8
105.43861	2.7
107.04948	8.3
107.08598	46.2
109.06553	5.1
109.10168	33.3
111.04439	51.4
111.08089	19.8
117.07048	20.5
119.08596	25.3
121.06564	4.6
121.10147	42.2
123.11687	5.5
129.07054	6.5
131.08577	33.8
133.10135	27.8
135.08076	6.3
135.11687	35.2
137.09589	3.9
143.08545	6.9
145.10139	37.0
147.11688	15.7
149.09631	8.6
149.13278	11.6
151.11140	5.0
153.12737	24.5
155.08549	6.9
157.10158	4.4
159.11693	10.7
161.09641	3.0
161.13229	7.7
163.11194	41.9
163.14825	3.7
171.11682	5.2
173.09576	8.9
173.13280	12.0
173.14626	3.1
175.14871	3.8
177.16347	3.3
181.12234	36.8
183.11739	3.1
184.69630	2.6
185.13286	3.4
187.14900	4.0
191.10695	39.3
209.11766	31.5
227.12805	57.3
243.21045	5.4
253.14429	4.6
257.18851	3.4
259.20474	3.9
261.22180	23.5
277.21863	4.0
283.15421	43.9
292.03864	3.1
317.24786	7.7
335.25934	14.2
427.23428	3.2
451.32007	6.3
469.33142	8.3
487.34045	4.1
507.34625	3.1
525.35577	7.9
543.36841	40.3
561.37744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00454	0.5
57.33821	0.5
57.99604	0.5
58.99868	0.8
67.25694	0.5
69.41331	2.8
69.41743	1.4
70.99836	0.6
77.00916	1.1
81.03426	1.1
82.99870	1.5
89.00890	2.0
98.20763	0.9
98.22751	0.5
101.00887	7.1
109.02937	1.0
113.00871	2.1
115.02445	1.3
119.01921	6.0
127.02449	2.2
129.00349	2.3
131.01909	1.9
133.03487	1.0
135.01408	1.8
138.01643	0.6
139.02393	4.8
141.03996	1.0
142.01144	2.0
142.17387	0.6
143.01892	6.7
145.03467	5.0
147.01434	5.2
155.01923	2.2
156.02701	2.0
157.03471	13.4
157.04745	0.8
159.05051	2.0
160.02203	1.1
161.02933	3.3
166.01117	1.0
167.01913	5.2
168.02757	0.7
169.03490	2.0
169.06837	0.6
171.01413	1.5
171.05074	1.1
173.02945	1.3
175.04536	2.5
181.03551	1.5
183.05083	1.4
184.02177	1.8
185.02977	9.5
187.04637	1.1
189.02475	1.1
199.04500	3.8
203.03960	3.4
211.04642	0.7
213.02444	0.8
217.05562	7.9
221.05148	0.8
227.04121	1.0
235.06625	17.8
245.05087	1.8
253.07692	31.4
259.06583	1.6
271.08798	1.6
273.04578	0.7
277.07687	33.7
278.07809	0.8
281.07080	0.7
291.05527	2.0
293.07162	4.2
295.08752	26.7
303.05646	4.0
305.07196	15.0
309.06656	4.3
311.08237	7.2
321.06686	6.6
323.08231	10.9
324.08380	0.8
331.05191	2.3
339.07544	1.6
349.06192	10.0
367.07217	100.0
368.07559	1.9
385.08203	9.5
408.10013	0.7
428.95053	0.9
495.71201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00454	0.5
57.33821	0.5
57.99604	0.5
58.99868	0.8
67.25694	0.5
69.41331	2.8
69.41743	1.4
70.99836	0.6
77.00916	1.1
81.03426	1.1
82.99870	1.5
89.00890	2.0
98.20763	0.9
98.22751	0.5
101.00887	7.1
109.02937	1.0
113.00871	2.1
115.02445	1.3
119.01921	6.0
127.02449	2.2
129.00349	2.3
131.01909	1.9
133.03487	1.0
135.01408	1.8
138.01643	0.6
139.02393	4.8
141.03996	1.0
142.01144	2.0
142.17387	0.6
143.01892	6.7
145.03467	5.0
147.01434	5.2
155.01923	2.2
156.02701	2.0
157.03471	13.4
157.04745	0.8
159.05051	2.0
160.02203	1.1
161.02933	3.3
166.01117	1.0
167.01913	5.2
168.02757	0.7
169.03490	2.0
169.06837	0.6
171.01413	1.5
171.05074	1.1
173.02945	1.3
175.04536	2.5
181.03551	1.5
183.05083	1.4
184.02177	1.8
185.02977	9.5
187.04637	1.1
189.02475	1.1
199.04500	3.8
203.03960	3.4
211.04642	0.7
213.02444	0.8
217.05562	7.9
221.05148	0.8
227.04121	1.0
235.06625	17.8
245.05087	1.8
253.07692	31.4
259.06583	1.6
271.08798	1.6
273.04578	0.7
277.07687	33.7
278.07809	0.8
281.07080	0.7
291.05527	2.0
293.07162	4.2
295.08752	26.7
303.05646	4.0
305.07196	15.0
309.06656	4.3
311.08237	7.2
321.06686	6.6
323.08231	10.9
324.08380	0.8
331.05191	2.3
339.07544	1.6
349.06192	10.0
367.07217	100.0
368.07559	1.9
385.08203	9.5
408.10013	0.7
428.95053	0.9
495.71201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01876	3.8
55.05510	38.7
55.94107	1.4
56.34750	1.4
57.03430	5.2
59.04988	1.7
61.02924	2.1
65.03931	1.8
67.05503	21.9
69.03426	5.9
69.07063	7.6
69.66774	1.3
69.67101	8.9
70.06597	2.8
71.82525	1.3
79.05487	23.6
81.03408	4.8
81.07051	18.8
83.04981	3.9
83.08616	21.4
85.02913	2.5
86.09711	3.3
87.04476	1.7
89.06042	1.4
91.05485	35.9
93.07048	10.9
95.04984	2.9
95.08597	4.6
97.02858	2.0
97.10172	46.9
103.05453	2.7
105.07024	7.3
107.08588	18.2
109.02846	2.4
109.10156	7.4
115.05448	3.4
117.07009	23.0
119.08580	69.7
121.06499	2.4
121.10146	3.1
125.09631	41.2
127.75204	1.4
129.07022	2.2
131.08551	3.8
133.06523	1.5
133.10133	3.8
135.08046	9.7
135.11710	1.4
141.07115	1.7
143.08589	5.2
145.06496	19.1
145.10115	4.2
147.08052	3.5
147.11685	2.3
153.09085	3.7
155.08568	2.9
157.10136	2.5
159.08052	9.7
159.11655	2.1
161.09636	3.0
163.07568	2.1
169.10112	2.0
171.10143	3.5
173.09636	2.5
183.11687	1.4
184.79646	1.4
187.11143	1.6
189.11208	37.1
225.16415	1.7
227.12775	26.3
245.13815	11.1
253.15935	2.2
271.16928	35.1
276.20346	2.2
289.17947	10.9
345.20593	35.0
363.21658	100.0
391.58932	1.7
479.86316	1.6
560.36346	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	559.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.05512	17.0
57.07063	8.2
67.05237	2.7
67.05513	32.3
69.07068	47.0
71.50506	3.7
71.50890	3.6
72.42971	2.6
79.05496	26.6
81.06594	5.9
81.07056	100.0
83.08629	14.6
91.05491	18.5
93.07052	45.6
95.08605	68.8
97.10165	7.4
105.07033	40.4
107.08603	54.7
109.10159	54.7
110.10457	3.8
111.11725	3.9
117.07029	7.1
119.08593	43.4
121.10144	50.4
123.11721	23.5
126.54473	2.5
129.06981	3.0
131.08553	18.0
133.10123	32.4
135.11694	26.7
137.13258	10.4
141.07037	2.8
142.07767	3.3
143.08527	4.6
145.10139	23.4
147.11685	27.1
149.13290	24.4
151.11240	3.1
155.08450	2.6
157.10118	12.4
159.11687	33.1
160.12440	3.0
161.13271	19.4
163.14859	9.7
169.10210	3.5
171.11728	12.3
173.13237	23.0
175.14853	13.8
177.16396	7.4
183.11594	3.4
185.13277	10.7
187.14833	13.8
189.16370	11.3
191.17896	6.7
195.11769	3.0
197.13306	7.4
199.14828	9.5
201.16388	13.0
203.17949	10.7
205.19377	2.8
211.14778	5.8
213.16420	11.5
215.18002	7.0
216.20331	3.1
217.19496	5.3
223.14803	3.2
227.18025	6.0
229.19511	4.7
239.17981	4.8
241.19591	4.3
243.21027	6.3
255.21013	5.6
257.22690	7.2
267.21005	3.8
269.22809	5.2
271.24216	5.0
283.24188	6.3
285.25955	4.8
297.25528	4.3
337.28912	3.2
541.47583	12.9
545.72778	3.1
559.41272	4.0
559.48645	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.5
55.05517	31.5
57.03437	12.9
57.07080	3.2
57.41356	3.2
67.05508	88.6
69.07074	13.0
69.25439	29.1
69.25848	7.2
71.04976	3.3
73.06557	3.5
79.05496	100.0
81.03417	12.2
81.07058	82.5
83.04985	11.9
83.08642	7.9
91.05482	68.3
93.06484	5.6
93.07047	77.9
95.04967	18.1
95.08602	48.3
97.06554	5.3
97.10159	3.8
105.04537	4.9
105.07034	58.5
107.04957	4.5
107.08611	26.1
109.06503	4.6
109.10167	14.1
111.08102	4.9
117.07031	12.7
119.08586	26.9
121.10150	18.1
123.08047	3.7
123.11745	5.9
125.09693	3.9
128.06218	4.3
129.06999	16.4
131.08571	14.3
133.10146	17.2
135.11708	13.6
143.08588	10.3
145.10175	19.2
147.11688	28.9
149.13300	7.0
157.10117	3.9
159.11707	9.4
161.13293	9.7
171.11688	27.7
173.13316	5.2
175.14873	3.9
187.14862	3.5
189.12778	10.8
207.13766	19.5
243.21057	3.7
261.22134	12.4
281.17520	37.0
317.24442	3.7
335.25766	45.9
541.38794	56.7
559.39923	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.3
55.05511	34.3
57.03439	16.0
57.07066	4.0
59.93983	3.3
65.03925	6.5
67.05506	100.0
69.07069	20.5
69.47338	2.5
71.05006	5.0
71.17947	2.8
72.12038	2.7
79.05494	97.6
81.03387	7.8
81.06599	5.1
81.07063	88.3
83.04977	13.3
83.08614	10.7
85.06561	5.1
89.59602	2.5
91.05484	75.6
93.07044	95.3
95.04967	17.8
95.08611	60.9
97.06535	4.9
97.10197	7.2
97.44112	2.8
98.21552	5.5
105.07034	52.5
107.04931	5.6
107.08592	36.0
109.06501	7.9
109.10168	16.9
117.07015	12.8
119.07922	3.3
119.08593	31.5
121.10169	21.5
123.08044	10.6
123.11692	4.9
129.06989	18.4
131.08548	20.5
133.10127	16.8
135.11705	20.8
143.08623	14.8
145.10097	17.4
147.08046	3.3
147.11687	33.7
149.13264	9.0
153.37167	3.0
155.08678	3.0
157.10126	4.5
159.11702	12.1
161.09570	6.2
161.13306	15.2
171.11688	33.5
173.13277	7.4
177.12680	3.5
183.18303	3.1
187.14777	3.2
189.12778	12.3
207.13795	28.6
243.20978	7.0
261.22083	16.8
279.16025	6.6
281.14688	5.1
281.17508	65.2
324.38580	2.9
335.25793	42.5
449.34277	6.6
467.34918	5.4
485.35889	4.2
541.39014	64.0
542.38647	3.8
559.39893	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.4
53.04191	3.1
53.86892	2.8
55.01878	3.6
55.05512	30.7
57.03445	16.4
57.03667	3.0
57.07063	4.3
61.97397	2.7
65.03929	4.2
67.05502	100.0
69.07073	20.4
70.75247	5.6
71.04980	5.0
71.08646	3.7
79.05492	97.2
81.03420	6.7
81.07055	76.0
81.07529	4.9
83.04988	12.7
83.08611	12.3
85.06543	7.4
89.06030	5.6
91.05479	83.7
93.07043	86.9
95.04970	20.7
95.08602	52.7
97.06545	9.0
97.10155	5.9
105.07031	52.3
107.04948	8.4
107.08578	30.0
109.06519	5.6
109.10118	14.6
110.08351	2.3
111.08117	3.5
112.45051	3.0
112.88827	2.4
117.07013	18.1
118.21986	2.9
119.08577	28.2
121.06511	4.7
121.10141	19.7
123.08054	5.5
123.11676	3.7
129.06985	16.8
131.08566	17.4
131.39360	2.6
133.10129	30.4
135.11693	15.5
143.08571	10.9
145.10141	17.7
147.11676	34.0
149.09583	3.7
149.13235	6.0
155.08476	4.4
157.10124	3.8
159.11714	12.4
161.09651	4.3
161.13258	16.2
163.14777	3.6
171.11656	30.6
173.13211	5.6
175.14882	3.4
185.13315	5.1
187.14871	5.2
189.12746	10.5
202.00305	2.9
207.13815	24.4
243.20987	5.9
261.22156	12.6
279.15927	8.2
281.17465	60.7
335.25735	39.8
335.29370	3.4
449.34058	7.2
467.34949	3.5
513.35376	6.1
541.39008	61.2
559.40497	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01868	7.8
55.05512	41.3
58.42768	2.8
59.87886	2.7
65.03931	3.9
67.05509	63.5
69.03440	3.0
69.07066	20.9
69.90802	6.0
69.91196	7.3
71.05000	3.0
79.05494	51.8
81.03436	5.0
81.07055	55.4
83.04993	11.3
83.08624	22.7
85.06528	3.1
91.05486	42.4
93.07040	53.4
95.04983	8.3
95.08601	46.7
97.02888	4.7
97.06510	4.3
97.10170	22.9
99.00820	12.4
102.10928	3.1
103.05480	2.7
105.04522	2.7
105.07035	49.2
107.04928	6.3
107.08582	37.1
109.02884	12.1
109.06543	3.8
109.10149	23.8
111.04488	3.3
111.08086	6.5
115.51606	3.1
117.07044	21.3
119.08578	25.0
121.06503	7.5
121.10149	20.6
123.11703	5.4
125.09647	15.8
129.07011	12.7
131.08572	23.4
133.06535	4.3
133.10141	40.9
135.08080	6.9
135.11665	15.2
141.06987	4.1
143.08566	17.1
145.06508	3.9
145.10133	21.9
147.08174	3.3
147.11684	12.1
149.13290	9.5
151.11208	5.9
155.08559	4.0
157.10149	11.9
159.08018	3.6
159.11723	14.6
161.09586	13.5
161.13289	8.8
163.11238	4.3
163.14865	3.8
169.10120	9.8
171.10208	5.6
171.11700	8.7
173.09665	3.3
173.13283	9.8
179.10684	6.6
183.11694	9.2
185.09674	2.9
185.13332	7.1
187.11337	4.6
187.14781	7.7
189.09169	9.0
189.11256	4.6
195.11696	6.7
197.13248	5.9
199.14993	6.0
201.16432	3.3
207.10208	4.2
209.13292	3.7
211.14868	3.3
223.14844	3.3
225.11296	7.9
227.12793	6.4
243.21130	3.8
259.20682	3.8
261.22137	10.3
269.22464	2.9
277.21637	8.3
281.13791	13.9
287.23795	6.9
297.22141	4.4
301.60132	3.4
313.21582	3.7
315.23227	30.5
403.29880	4.6
421.31232	9.8
431.29779	4.5
439.32190	12.9
449.30402	14.5
457.33228	6.3
467.31641	39.2
474.13751	3.7
485.32706	23.2
495.34866	4.8
513.35876	33.0
531.37000	23.1
541.35242	72.3
542.36090	4.1
559.36316	100.0
560.36353	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	3.1
53.03949	8.2
55.01870	6.0
55.05514	38.0
57.03424	4.9
57.07067	4.8
59.05003	3.0
65.03942	3.9
66.03160	1.1
67.05507	62.3
69.03426	3.7
69.07069	17.1
71.01373	1.4
71.04993	3.5
71.08632	2.3
79.05495	56.8
80.11293	1.2
81.03414	5.0
81.07059	58.0
83.04977	6.5
83.08617	20.9
85.06536	4.1
91.04906	2.2
91.05482	54.2
93.07047	59.3
94.07368	1.3
95.04990	7.7
95.08606	35.5
97.02879	3.8
97.06557	5.7
97.10180	23.7
99.00813	10.5
99.08094	1.3
103.05471	1.8
105.07031	45.7
107.04958	6.2
107.08593	34.9
109.02889	11.2
109.06499	4.1
109.10155	22.9
111.04447	3.5
111.08070	5.5
113.06001	1.4
115.03946	1.3
115.05489	1.9
117.07030	16.0
119.04990	1.2
119.07728	1.2
119.08580	25.1
121.06496	6.0
121.10149	21.0
123.04415	3.1
123.08049	3.2
123.11692	5.5
125.09621	15.4
128.06219	2.8
129.07010	6.8
131.08565	24.3
133.06487	3.7
133.09120	2.5
133.10132	48.1
135.08038	3.4
135.11679	17.9
137.05962	2.2
137.09624	3.1
139.07483	1.3
140.01346	1.1
141.06993	2.7
142.07825	1.5
143.08562	14.8
145.06500	2.8
145.10127	21.3
147.08055	4.1
147.11711	13.4
147.12837	1.7
149.09634	4.2
149.13231	8.4
151.11183	8.2
153.06891	1.4
153.09111	1.9
155.08548	4.1
157.10144	9.6
159.08020	2.9
159.11667	10.5
161.09630	17.2
161.13249	8.4
163.11180	3.7
163.14833	3.2
167.08585	2.7
169.10130	6.4
171.08058	4.9
171.10229	2.3
171.11699	9.6
173.09651	2.6
173.13246	10.0
175.11230	2.2
175.14882	3.2
179.08936	1.6
179.10695	7.8
181.10121	1.9
181.12280	3.3
183.11659	7.1
185.09763	2.1
185.13216	6.4
187.11250	2.3
187.14848	5.3
189.09178	10.8
189.11038	7.4
189.12686	1.7
191.10695	2.1
195.11760	3.2
197.11781	3.0
197.13292	5.0
199.14827	3.9
201.12787	1.6
201.16396	2.1
203.14294	1.9
207.10074	2.7
209.13297	3.0
211.14871	3.2
213.16512	1.9
221.13234	1.6
225.11177	12.9
227.12675	7.2
239.18051	1.3
241.19737	1.9
243.12245	1.4
243.21095	4.0
259.20569	3.7
261.22189	13.6
263.17966	1.4
268.31247	1.3
271.20758	1.7
277.21603	6.8
281.13828	10.5
283.15564	1.7
285.22183	1.9
287.23755	6.0
289.21716	2.8
295.20517	1.4
299.14749	1.4
299.20160	2.9
313.21506	2.3
315.23221	21.0
317.24707	2.0
333.24338	2.8
335.26099	1.7
355.22501	1.4
403.30029	3.6
421.31006	10.0
423.32596	2.0
431.29575	2.3
439.32092	5.1
449.30371	13.3
457.33032	4.9
467.31598	28.7
475.34476	2.7
485.32623	19.6
486.61002	1.4
495.34872	2.1
513.35828	21.2
515.37115	6.0
523.34015	3.9
531.36810	21.1
541.35254	51.4
542.35522	1.9
559.36273	100.0
560.36603	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69117	1.1
53.00290	1.8
53.03936	5.6
55.01872	7.1
55.05511	36.9
57.03427	5.1
57.07067	3.8
65.03930	2.8
67.05503	55.3
69.03421	4.7
69.07068	22.3
69.19655	12.6
71.04988	3.3
79.05491	52.8
81.03416	6.5
81.07055	59.2
83.04981	7.2
83.08621	19.0
85.06537	3.0
86.44402	1.3
91.05480	47.3
93.07043	55.4
95.04970	8.2
95.08607	34.5
96.48488	1.2
97.02885	3.8
97.06522	5.1
97.10170	22.2
99.00828	5.0
99.08067	1.6
101.90189	1.1
105.07036	39.3
107.04993	6.6
107.08592	35.5
109.02869	10.5
109.06537	5.3
109.10160	23.0
111.04455	2.9
111.08103	6.5
117.07013	17.5
119.04964	1.3
119.08578	25.9
121.06520	5.3
121.10142	21.0
123.04492	1.9
123.08046	2.1
123.11730	5.5
125.09639	14.3
127.03912	1.5
128.06218	2.1
129.07014	11.2
131.08575	26.2
133.06506	3.9
133.10129	35.7
133.11099	2.2
135.08083	5.5
135.11688	15.3
137.09621	3.1
141.06975	3.0
142.07779	1.6
143.08545	12.7
145.06447	2.2
145.10117	21.6
147.08034	3.9
147.11690	13.8
149.09612	4.5
149.13264	9.4
151.11148	6.8
153.09076	2.6
153.12790	2.4
155.08559	5.7
156.09383	1.3
157.10130	11.7
159.08061	2.9
159.11705	14.6
161.09625	13.0
161.13278	8.5
163.11188	3.8
163.14835	2.9
167.08606	1.7
168.09470	1.5
169.10168	8.6
171.08076	5.8
171.10266	2.5
171.11720	8.3
173.09610	3.0
173.13284	11.8
175.11206	2.6
175.14833	4.6
177.12764	1.4
179.08635	1.2
179.10725	5.4
181.10130	3.6
183.11719	7.5
185.09633	2.5
185.13295	8.7
187.11121	2.4
187.14735	6.3
189.09178	8.6
189.11081	7.2
189.12784	2.0
189.16295	1.9
195.11717	4.1
197.11679	1.9
197.13324	6.2
199.14879	3.7
201.12852	1.9
201.16406	1.8
207.10118	3.1
207.11868	1.5
209.13356	2.8
211.14847	2.4
213.12755	2.0
213.16399	1.6
221.13170	1.8
223.15038	2.8
225.11075	8.0
227.12636	8.4
237.16342	2.0
241.19630	2.1
243.21063	3.4
259.20651	3.6
261.22144	10.7
271.20688	2.6
273.18564	4.2
275.20145	2.8
277.19189	1.3
277.21555	6.5
281.13895	8.5
283.15494	2.5
287.23749	6.9
289.21609	2.9
291.19534	7.7
295.20538	1.5
297.22177	4.2
299.20090	2.6
313.21628	3.5
315.23123	24.5
317.24792	1.6
323.23767	1.9
327.23318	1.7
333.24246	4.0
341.21155	2.4
403.29993	3.2
403.83810	1.5
421.31146	9.6
431.29422	5.0
439.32028	8.3
449.30475	14.9
457.33139	5.4
467.25027	1.8
467.31586	31.7
485.32626	20.1
495.34515	2.8
513.35724	23.9
515.37415	3.1
523.34393	4.6
531.36829	19.6
541.35260	66.1
542.36292	1.9
559.36285	100.0
560.36603	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	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88649	1.8
53.00292	2.0
53.03941	6.9
55.01868	7.4
55.05512	45.1
57.03428	5.7
57.07060	2.5
59.05002	3.1
65.03948	3.7
67.05506	60.4
69.03426	3.2
69.07065	21.4
70.75564	3.9
71.04986	3.0
78.54556	1.8
79.05497	53.9
81.03415	4.3
81.07058	57.5
83.04987	7.0
83.08614	23.3
85.06530	2.5
91.03907	1.9
91.05484	47.4
93.07048	64.2
95.04972	8.2
95.08607	36.0
97.02916	3.2
97.06519	3.9
97.10168	21.5
99.00811	8.8
101.84039	1.8
105.07029	38.4
107.04976	7.4
107.08590	29.6
109.02882	7.1
109.06546	3.4
109.10143	18.7
111.04479	4.5
111.08069	6.7
115.05501	2.8
117.07024	20.7
119.08582	25.6
121.06501	4.4
121.10161	21.3
123.08076	3.3
123.11703	7.0
125.09611	13.8
128.06232	2.7
129.07014	10.7
131.08598	21.7
133.06496	4.1
133.10135	39.8
135.08081	5.0
135.11705	17.7
137.09534	2.4
143.08545	12.7
145.06525	2.6
145.10115	20.8
147.08121	3.5
147.11668	13.0
149.09760	2.1
149.13216	9.0
151.11171	9.6
153.12860	2.4
155.08563	5.5
157.10129	8.0
159.08044	3.6
159.11667	15.3
161.09633	14.6
161.13283	7.3
163.11218	4.7
163.14841	3.7
165.09148	1.8
167.08586	3.4
169.10106	5.0
171.08014	4.3
171.11685	9.4
173.09653	2.5
173.13274	8.3
175.11197	3.4
175.14896	3.8
179.10678	8.4
183.11697	6.3
185.13298	8.1
187.11134	2.4
187.14830	5.8
189.09106	7.1
189.11092	8.6
197.13348	3.3
199.14851	2.7
207.10188	2.2
211.14771	2.6
225.11229	11.5
227.12808	6.6
241.19641	4.1
243.21107	3.3
259.20612	4.2
261.22144	13.5
273.18542	2.7
277.21671	3.6
281.13913	11.4
285.22177	2.7
287.23767	6.6
289.21408	3.2
291.19443	11.8
297.22141	2.6
299.15125	2.7
299.20190	2.5
313.21786	3.6
315.23215	19.9
317.24881	2.6
403.29813	2.7
421.31183	8.3
429.57086	1.9
431.29532	4.2
439.32184	7.7
449.30460	10.6
457.33133	7.4
467.31592	25.5
485.32745	20.7
513.35858	21.4
515.37195	3.7
523.34021	3.7
531.36816	21.3
541.35229	54.7
559.36328	100.0
560.37067	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98753	1.4
53.03941	5.1
55.01871	7.5
55.05511	21.4
56.93732	1.3
57.03441	10.6
57.07074	4.9
59.54015	1.3
65.03933	2.5
67.05508	43.0
69.03424	2.5
69.07069	16.4
70.08776	3.4
70.09159	2.8
71.04983	5.4
71.08636	1.6
73.02921	1.8
75.41015	1.5
77.03912	1.5
79.05494	56.9
81.03417	14.7
81.07058	51.9
83.05003	7.4
83.08611	13.2
85.02895	1.6
85.06551	1.9
89.06036	1.8
91.05482	46.4
93.07043	69.4
95.04974	14.7
95.08609	54.8
97.02900	3.7
97.06548	10.4
97.10147	2.2
99.04469	5.4
99.08105	2.5
105.04552	1.4
105.07037	51.3
107.04955	14.1
107.08590	45.7
107.80456	1.6
108.19794	1.4
109.06513	2.9
109.10159	12.3
111.08118	2.2
115.05463	3.5
117.07016	20.4
117.07782	2.4
119.08580	50.6
121.06504	8.3
121.10159	26.1
123.08026	2.9
123.11736	1.8
125.05982	3.0
128.06227	1.6
129.05475	1.5
129.06953	7.2
130.07799	3.4
131.08575	19.6
133.06514	2.3
133.10136	30.0
134.68674	1.5
135.08093	5.6
135.11691	49.0
137.09610	2.6
143.08612	8.2
145.06438	1.7
145.10118	37.0
147.08080	2.1
147.11696	30.6
149.09595	4.1
149.13272	8.6
151.11267	2.2
154.04778	1.6
155.34366	1.4
157.10164	7.0
159.11711	14.6
161.09685	1.6
161.13251	27.1
163.11186	56.9
163.14851	4.5
169.10197	1.5
171.11664	7.3
173.13223	11.4
175.11252	2.7
175.14873	10.6
181.12248	11.3
185.13258	7.2
187.14833	3.4
189.12770	2.0
193.12173	1.8
199.14853	5.1
199.98723	1.4
201.16489	1.5
209.11826	2.4
213.16473	2.4
215.17944	3.0
217.19398	2.0
227.12785	100.0
231.21083	6.0
236.09375	1.5
241.19501	30.6
243.21187	2.0
259.20587	60.5
267.15881	11.5
273.18634	2.9
275.20047	22.4
283.15384	41.7
291.19260	1.7
293.21030	2.7
297.22070	2.0
315.23044	7.4
333.24252	57.3
349.23557	5.4
467.31961	1.8
541.35217	23.2
559.36462	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	558.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21380	1.9
69.07079	2.3
70.06593	62.3
71.48657	2.7
72.08151	21.2
83.31755	1.8
84.04520	10.0
84.08136	5.7
86.06122	2.0
86.09722	13.1
97.07663	8.5
99.05598	2.7
106.05034	2.6
109.07669	3.7
112.08747	7.7
114.10304	24.4
119.07309	2.9
120.08136	7.0
122.09647	2.6
123.04405	6.1
126.03758	1.9
128.05348	2.3
129.10205	2.1
130.05025	2.8
132.08080	3.3
134.08374	3.7
134.09659	7.7
135.04410	2.8
135.05479	2.0
136.07591	2.2
144.08101	22.5
145.06085	4.3
145.08490	9.2
146.09683	6.8
147.10458	6.5
148.10025	3.7
148.11215	69.7
149.10750	11.7
149.12027	7.9
152.05321	4.6
161.05872	2.4
161.10797	4.6
163.03922	7.6
163.12305	55.4
164.13097	13.0
165.13892	8.7
166.06844	14.3
173.10757	3.3
177.03461	3.2
178.06931	2.8
180.08432	23.6
181.09222	5.8
182.09984	14.2
185.03851	3.3
189.12646	2.5
189.43127	2.0
190.13458	3.7
192.14978	2.6
195.09526	2.9
197.11125	2.9
199.07359	1.9
203.10284	7.9
206.10022	4.0
206.15367	3.7
207.09509	8.2
207.11360	10.4
207.16022	18.8
209.17670	2.3
222.10580	18.4
223.09128	2.1
224.12009	4.4
231.04398	2.6
239.13271	2.9
240.13962	10.2
241.14825	21.5
248.12206	7.2
253.20995	2.2
267.16861	2.5
285.13791	23.6
295.06116	4.6
351.15054	3.4
361.07184	2.8
366.05704	3.9
385.20200	25.7
429.19162	100.0
430.19473	2.2
445.10538	2.1
507.27863	2.3
511.12061	2.3
514.24469	4.0
540.22357	20.3
541.13269	2.8
558.14020	2.1
558.23376	66.7
559.14319	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	559.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42558	1.8
71.12038	4.5
77.17923	1.9
81.35178	1.7
118.06541	19.8
132.08102	3.6
142.06540	2.7
143.07304	1.8
144.08090	10.7
146.06015	57.9
148.47102	1.7
159.09213	3.7
163.03889	2.7
170.05997	3.1
188.07066	100.0
205.09743	36.6
227.18260	1.8
229.68358	2.3
249.00896	2.2
278.66074	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	558.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69486	1.0
55.01858	0.9
55.02990	1.9
59.47151	1.0
60.05640	3.2
64.76984	1.0
68.05020	1.7
70.06593	55.4
71.06114	1.2
71.49281	1.6
72.08157	17.8
76.03999	2.6
79.05504	1.4
80.05036	1.0
84.04512	10.3
85.04032	2.7
87.11002	0.9
93.05886	1.2
94.06554	1.4
97.07648	9.4
97.34084	0.9
99.05529	2.5
105.07056	2.1
106.06590	1.7
109.07630	2.9
112.08740	8.4
113.03534	1.2
114.10290	29.0
114.11034	2.2
118.06510	1.7
119.07354	3.0
120.08099	4.6
121.86997	1.0
122.09676	3.7
126.03759	2.7
130.05032	3.7
132.07130	1.0
132.08051	5.5
133.07555	1.2
134.08432	1.6
134.09674	7.1
137.01619	1.1
138.03755	2.9
145.06088	2.2
146.09622	8.4
147.10411	12.2
148.11208	42.4
149.10739	5.2
149.11992	4.8
150.12762	4.8
152.05290	22.1
153.06450	1.0
154.04980	1.7
155.08176	2.8
159.02307	1.6
160.00706	1.1
161.10757	3.2
163.03976	2.3
163.12305	31.7
164.13118	9.5
165.13838	1.8
173.10815	2.2
175.12352	1.5
177.03323	4.1
178.06960	1.3
179.06401	1.4
180.08426	30.9
181.06140	2.5
182.10005	10.9
185.03799	6.1
189.12764	1.8
190.13354	1.6
192.14993	4.1
193.09840	1.1
197.11137	3.4
205.08038	1.6
207.09523	1.7
207.11259	11.3
207.16040	10.8
208.12094	1.6
209.17613	10.3
211.07088	1.2
222.10631	14.1
223.09044	1.8
224.12300	2.8
231.04364	6.5
239.13342	6.4
241.14832	14.6
248.12297	3.8
249.10533	1.4
251.15352	1.2
253.16646	1.7
266.09494	2.1
275.13312	1.3
276.11630	2.4
285.13800	22.8
288.06485	5.2
297.17194	1.1
351.14880	1.4
368.17752	1.2
370.43353	1.1
372.17105	3.1
385.20099	10.6
412.16721	1.8
429.19189	100.0
430.19553	1.9
463.77185	1.1
465.19043	2.1
496.23428	1.2
540.22498	18.0
558.23450	55.9
559.23907	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
54.51257	2.7
54.54350	2.7
55.05515	16.8
57.07075	24.3
59.04992	5.0
62.42194	2.5
65.03938	5.2
67.05186	2.8
67.05515	35.3
69.07071	53.6
70.06598	16.4
71.08622	9.6
71.50774	3.0
71.51157	3.4
75.87774	2.8
79.05486	22.9
81.06593	6.0
81.07058	100.0
83.04974	7.2
83.08631	17.5
85.10159	7.2
85.69641	2.8
88.07632	7.1
89.06023	9.7
91.05486	24.9
93.07041	51.4
95.04950	4.6
95.08607	80.6
97.06526	3.5
97.10162	7.7
102.09192	3.8
104.10763	6.8
105.07035	54.3
107.08604	48.8
109.06507	6.5
109.10153	57.2
109.10847	4.9
111.11718	3.0
117.07033	8.4
119.08585	47.8
121.10153	40.9
123.08050	3.6
123.11722	25.0
129.06979	3.3
131.08582	19.1
132.10176	5.5
133.08604	5.0
133.10147	33.4
135.00000	3.1
135.11722	28.7
137.13248	8.8
143.08540	14.5
145.10130	30.1
146.11768	4.2
147.11682	25.2
149.09674	4.3
149.13260	21.0
151.07550	20.7
151.11221	8.7
155.08582	6.2
157.10143	20.5
159.11702	36.9
161.13272	21.8
163.14796	9.8
169.10150	10.6
171.11745	19.3
173.13219	19.1
175.14851	17.2
177.16426	5.2
183.11717	12.2
185.13322	16.3
187.14832	15.6
189.16347	10.9
191.10707	4.2
197.13290	7.2
199.14752	16.9
201.16405	16.5
203.17950	9.7
209.13298	6.4
211.14790	8.9
211.43568	2.9
213.16386	15.9
215.17929	7.0
223.14815	3.8
225.16389	7.0
227.17998	7.0
229.19478	4.9
237.16360	3.4
239.18031	5.6
241.19496	9.9
243.21268	4.1
255.20985	6.2
256.26340	7.6
257.22748	5.6
267.21066	5.7
269.22620	6.5
281.22684	8.1
283.26483	24.8
284.26578	23.5
285.22333	3.5
288.76709	2.9
297.25818	3.8
300.28824	11.9
301.29324	13.3
393.80679	3.7
452.71140	3.3
463.87796	4.7
539.46002	13.0
551.89380	6.3
557.39301	6.1
557.46704	43.0
557.53333	93.1
566.92584	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	557.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96688	1.9
55.05520	5.0
57.03435	2.5
57.07077	100.0
58.04217	10.4
59.05005	36.1
67.05501	7.2
67.20189	2.1
69.07063	7.4
69.14310	12.1
69.14745	9.3
69.50753	1.8
71.04980	2.2
71.08237	4.1
71.08634	80.9
72.05791	14.2
73.02919	6.7
73.06559	12.9
79.05484	3.0
81.07053	8.1
82.07837	2.7
83.08625	4.5
85.10187	73.3
87.04459	17.5
88.05274	2.3
89.06040	21.5
90.01917	44.3
95.08606	7.7
96.09380	2.4
97.10195	4.7
98.21528	4.4
99.11735	13.6
101.06008	2.7
102.06807	2.9
103.07574	16.9
105.07016	2.4
107.08579	3.7
109.10156	2.9
113.13266	3.0
116.08343	3.8
117.09115	9.7
121.10155	3.5
133.08600	12.8
133.10118	2.3
138.38484	2.0
141.16379	4.5
147.10211	3.0
152.15562	5.0
153.78149	2.2
155.17929	7.9
159.11754	3.9
177.11227	6.4
178.07124	6.6
183.17520	8.1
212.21352	5.0
213.22128	7.3
222.09743	11.2
223.15437	2.7
252.18097	4.2
253.16447	3.8
257.24710	6.1
268.17493	2.5
283.26379	2.0
328.16071	9.3
386.10498	2.0
397.94409	2.0
406.35324	11.5
422.34753	2.6
450.38235	2.6
461.86389	2.2
551.88446	2.6
556.52362	2.5
557.40228	3.3
557.53351	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	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01867	5.4
55.05273	1.9
55.05514	26.8
56.35065	1.3
57.03438	8.2
57.07075	4.3
59.05013	1.6
65.03931	3.6
65.79824	1.3
67.05502	54.4
67.97399	1.5
68.02180	1.5
69.03414	1.5
69.07070	22.2
71.04998	3.7
71.22732	1.7
71.23052	2.1
73.06568	1.6
77.03924	1.4
79.05493	55.2
81.03423	8.0
81.07056	60.9
83.04980	6.4
83.08611	11.6
85.06541	2.7
85.36196	1.4
91.05481	54.7
93.07044	51.4
95.01350	1.5
95.04964	11.9
95.08608	40.8
97.02896	2.7
97.06543	9.7
97.10165	7.2
103.05455	3.0
103.24754	1.3
105.04528	1.8
105.07031	50.4
107.04949	10.3
107.08590	31.3
109.06516	5.6
109.10150	15.6
111.04446	2.0
111.08109	3.9
115.05480	4.3
117.07008	26.6
119.08581	36.3
119.09376	2.7
121.06500	5.7
121.10137	17.7
123.04488	1.4
123.08080	4.7
123.11725	2.1
125.05945	1.6
125.09626	4.4
128.06206	6.6
129.06998	22.4
130.07790	4.0
131.08571	38.4
133.06499	3.2
133.10130	28.8
135.08078	5.4
135.11678	15.7
137.09622	4.1
141.07005	9.8
142.07791	5.3
143.08557	26.3
144.09282	1.4
145.06473	2.6
145.10127	33.2
147.08087	1.4
147.11682	19.1
149.09633	5.1
149.13271	5.2
151.11156	1.9
153.06993	2.0
153.09140	1.3
154.07726	3.4
155.08574	20.8
157.10126	27.0
159.08020	3.3
159.11710	20.3
161.09656	4.9
161.13269	13.6
163.11201	11.0
163.14807	2.0
165.07053	2.7
165.09230	1.7
165.12794	1.4
167.08585	8.6
168.09306	1.7
169.10133	27.8
171.11694	23.3
173.09650	3.5
173.13264	14.4
175.11273	3.4
175.14827	6.0
177.12811	2.4
179.08452	1.7
179.14308	1.9
181.10146	12.4
181.12117	1.8
182.10904	2.3
183.11711	22.0
185.09691	2.4
185.13248	16.0
187.11215	2.8
187.14738	6.7
189.12750	2.9
193.10193	3.1
195.11650	12.8
197.13231	14.7
199.14851	10.7
201.12766	2.9
201.16394	3.1
207.11746	3.7
207.13669	2.7
209.13240	9.9
211.14886	8.7
213.12865	2.1
213.16422	9.6
215.14238	2.0
219.11659	2.2
219.17477	2.2
221.13197	3.2
223.15002	6.9
225.16417	5.1
227.12764	9.7
227.18031	2.3
231.21272	1.6
233.13219	2.6
235.14894	3.7
237.16403	4.6
239.14276	1.5
239.17989	3.2
241.19530	7.8
247.16983	2.8
249.16391	3.6
251.17940	2.8
257.19009	3.9
259.20575	11.3
261.22241	1.4
263.18033	2.1
267.21082	2.2
273.18597	1.8
275.20166	13.9
277.19250	2.3
279.15973	3.9
281.10992	1.5
281.17383	10.9
285.18478	1.8
287.19955	3.8
291.19696	1.8
297.18765	1.6
297.22122	3.8
309.22241	2.6
311.23825	1.6
313.21683	2.1
321.22086	1.8
323.20102	1.9
323.23712	3.4
327.23193	2.0
333.24258	5.4
335.23798	2.2
337.25607	1.7
339.23123	2.1
349.25452	1.8
353.24548	2.3
361.24918	1.8
381.27844	2.0
419.32941	6.3
429.31497	5.9
437.34140	12.7
447.32745	24.6
465.33740	31.3
483.34698	20.1
495.34601	1.7
498.14923	1.5
501.35681	3.6
503.34875	2.1
511.37683	2.9
521.36194	12.2
527.37384	2.1
529.39124	9.4
539.37378	100.0
540.37451	4.4
556.86993	1.6
557.38745	52.9
567.19604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01870	4.4
55.05510	19.8
57.03444	8.5
57.07065	2.3
61.42771	1.3
65.03931	3.4
67.05504	40.0
69.07063	17.6
71.05004	3.6
79.05491	34.8
81.03420	3.9
81.07050	44.0
83.04987	3.4
83.08600	9.6
83.55969	1.4
85.06521	1.6
91.05479	42.6
93.07042	41.3
95.04971	7.6
95.08601	26.9
97.06539	4.7
97.10181	4.1
98.20736	3.9
105.04534	2.0
105.07036	34.5
107.04953	4.7
107.08589	20.8
109.06501	3.8
109.10152	10.2
115.05467	2.7
117.07014	17.5
119.07726	1.6
119.08579	32.2
121.06547	2.6
121.10154	13.3
123.08092	5.3
123.11670	2.7
125.09657	2.7
128.06252	5.7
129.07002	19.7
130.07773	2.4
131.08568	30.1
133.06491	1.5
133.10123	20.8
135.08095	2.8
135.11691	9.2
137.09610	2.0
141.07007	6.7
142.07809	5.5
143.08566	24.8
145.06494	2.3
145.10109	30.4
147.08073	3.6
147.11681	18.1
149.09596	2.3
149.13275	6.2
151.11150	1.5
153.07034	1.6
154.07805	2.9
155.08560	19.7
156.09416	2.8
157.10129	19.2
159.08078	2.8
159.11690	20.1
161.13260	12.7
163.11223	2.5
165.07004	2.2
167.08571	8.3
168.09305	1.5
169.10126	22.6
171.08073	1.9
171.11696	23.9
172.01237	1.4
173.09717	1.8
173.13243	14.1
175.14848	5.8
177.12772	2.9
179.08595	3.2
180.09402	2.0
181.10104	13.9
182.10953	2.3
183.11719	20.5
185.13246	14.8
187.11177	3.1
187.14879	7.3
189.12772	3.8
191.92006	1.4
193.10178	5.0
195.11705	11.9
197.09697	1.6
197.13251	15.1
199.11281	1.6
199.14806	9.1
201.16386	3.3
207.11758	3.8
207.13681	2.9
209.13326	7.5
211.14812	8.9
213.12930	2.1
213.16359	10.5
219.11662	2.7
219.17499	2.4
221.13280	3.6
223.14886	6.2
225.16447	3.7
227.18013	3.1
229.16122	2.0
231.17551	2.4
231.21339	2.0
235.14767	4.2
235.16982	1.7
237.16389	4.1
239.17955	3.2
241.19621	7.0
244.13934	1.4
247.16997	2.1
251.18054	2.8
257.19031	2.8
259.20517	12.1
261.22125	2.1
271.20691	1.5
279.16086	4.7
281.17371	8.7
283.20572	2.3
285.18488	1.9
287.20148	2.0
295.20709	2.7
297.18661	1.4
297.22009	2.4
309.21814	1.7
315.23239	2.4
321.22220	2.8
323.23737	3.1
327.23224	3.3
333.24356	5.4
335.23715	2.1
339.23615	1.7
341.24902	1.8
349.25296	1.8
355.26489	1.7
419.33264	3.3
429.31592	5.4
437.34192	12.8
447.32626	26.6
455.35458	1.4
465.33664	30.6
483.34811	17.5
501.35538	2.8
511.38263	2.1
521.36328	11.5
527.37347	3.4
529.38910	7.8
539.37329	100.0
540.38104	2.9
557.38440	51.4
558.37689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01873	3.7
55.05507	21.9
56.59342	2.0
57.03425	7.1
65.03928	2.3
67.05502	39.0
69.07059	17.2
71.04998	3.7
74.26652	2.0
79.05069	3.2
79.05493	40.4
81.03405	7.3
81.06599	2.8
81.07056	42.1
83.04978	4.5
83.08620	12.0
85.06549	2.6
91.05486	41.9
93.07043	42.8
95.04959	8.3
95.08607	31.0
95.42458	2.1
97.06517	6.0
97.10159	6.8
103.05443	2.3
105.04512	2.0
105.07035	40.5
107.04935	6.2
107.08585	23.2
109.06499	2.8
109.10166	13.5
111.08103	2.6
115.05450	3.6
117.07018	22.5
119.08585	28.5
121.06497	2.9
121.10150	12.0
123.08075	4.4
128.06178	6.2
129.06992	20.4
131.08559	31.1
133.10138	18.6
135.08058	2.4
135.11687	10.4
141.06976	11.1
142.07755	3.2
143.08557	26.2
145.10143	28.0
147.08054	2.6
147.11694	21.0
149.09625	3.0
149.13246	4.1
151.11211	2.1
154.07654	3.2
155.08559	22.1
156.09331	3.2
157.10129	25.5
159.11711	18.2
161.13275	11.0
163.11169	3.4
163.14793	2.5
166.07759	1.9
167.08546	8.5
168.09297	2.0
169.10135	25.5
171.11676	23.5
173.13306	11.8
175.14844	5.5
177.12758	3.4
179.08559	4.2
181.10161	14.5
183.11687	19.5
185.13255	15.5
187.11108	4.2
187.14795	8.4
189.12714	2.3
193.10101	2.7
193.59277	2.0
195.11693	13.7
197.13284	14.5
199.11215	2.2
199.14789	7.8
201.16380	3.8
207.11691	5.2
207.13808	5.6
209.13217	7.7
211.14838	9.8
213.16373	14.4
221.13315	4.6
223.14836	5.5
233.13255	3.5
235.14775	4.7
237.16405	4.7
241.19534	7.7
247.17126	2.7
251.17886	3.1
259.20639	14.9
265.19302	2.5
279.15872	4.5
281.17261	9.3
285.18597	2.2
289.50919	2.1
297.21887	2.3
311.20004	2.2
311.23596	2.3
313.25201	2.6
315.23160	2.5
323.23526	2.1
333.24304	6.9
335.23715	2.0
339.23099	2.8
348.44437	2.1
353.24561	4.4
376.09656	2.0
419.33148	3.8
429.31445	4.4
437.34174	8.6
447.32614	26.9
456.96896	2.0
465.33658	26.8
483.34583	17.7
501.35941	2.9
516.84918	1.9
521.36566	11.3
527.37177	4.7
529.39026	10.5
539.37341	100.0
540.37567	2.3
557.16724	2.8
557.38464	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	557.3475
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
53.03941	6.4
55.01863	9.3
55.05511	39.1
57.03422	5.5
59.04997	2.6
65.03940	4.0
67.05504	48.6
69.03423	5.3
69.07066	19.4
71.04983	4.7
77.78433	1.6
79.05496	41.2
79.05961	2.5
80.31603	1.6
81.03421	24.7
81.07054	48.2
83.04984	8.5
83.08620	20.5
85.06554	3.5
91.05485	43.9
93.07046	33.4
95.04970	14.1
95.08611	20.7
97.02895	4.0
97.06516	5.2
97.10175	21.9
105.04518	4.1
105.07034	35.8
105.07699	2.7
107.04949	12.5
107.08594	26.8
109.02895	4.6
109.06513	7.3
109.10159	13.7
111.04443	2.0
111.08070	7.6
115.05450	3.2
117.07014	20.1
119.08582	30.0
119.09356	1.9
121.06516	7.2
121.10135	8.6
123.04506	2.6
123.08066	4.7
125.09641	19.3
128.06241	5.8
129.07004	14.9
131.08572	29.3
133.06508	2.8
133.10143	24.3
135.04417	1.8
135.08076	6.8
135.11696	5.7
137.09624	2.2
140.13618	1.7
141.06984	4.2
142.07802	3.1
143.08582	16.5
145.06496	7.7
145.10120	19.0
147.08076	6.1
147.11703	8.4
149.09639	6.4
149.13275	4.0
151.11224	6.5
153.09096	3.5
155.08545	12.4
157.06479	2.3
157.10147	17.2
159.08067	5.1
159.11700	12.2
161.09641	8.0
161.13222	4.1
163.11179	4.0
165.07037	1.8
167.08600	5.2
169.10121	10.1
171.08084	4.6
171.11694	10.9
173.09634	6.4
173.13301	6.2
175.11205	6.0
175.14812	2.3
177.12843	2.3
180.99179	1.7
181.10147	5.9
183.08095	2.9
183.11679	8.4
185.09650	3.6
185.13301	7.1
187.11180	4.9
187.14847	1.9
189.09239	1.5
189.11229	7.5
193.10185	2.8
193.12265	4.1
195.11707	5.5
197.09688	2.7
197.13248	6.1
199.11098	3.9
199.14809	3.0
207.11792	2.0
209.09796	1.8
209.13292	6.7
211.11124	2.5
211.14859	4.7
213.12851	4.2
215.10835	2.8
217.12146	2.3
219.11856	2.0
219.13855	4.1
221.13213	2.4
223.11285	2.5
223.13286	5.2
223.15073	2.5
225.12944	2.1
227.12695	7.9
233.13292	3.0
235.14787	2.0
237.12825	3.1
239.17915	2.7
253.14389	7.7
255.17570	3.5
257.19055	4.6
259.20596	3.9
269.18991	2.4
271.17050	2.1
273.18604	8.0
275.20126	10.0
281.13852	7.2
285.19019	1.7
285.22235	5.0
287.20074	6.7
291.19519	22.0
295.20477	2.7
297.18439	3.3
306.79657	2.1
311.19913	2.1
313.21582	16.8
335.20065	1.9
343.22482	2.4
347.22293	2.9
401.28864	2.5
419.29352	8.8
429.28085	5.2
437.30472	9.2
445.26056	2.2
447.28836	17.4
455.31641	3.1
465.29999	38.8
483.31125	22.3
493.33426	1.8
498.14832	2.0
501.32257	2.4
511.34036	12.5
513.35553	1.8
521.32623	4.2
529.35278	27.2
539.25940	1.4
539.33630	55.4
557.34729	100.0
558.35590	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01876	10.9
55.05269	2.4
55.05513	31.2
57.03423	5.9
59.05006	2.3
65.03925	3.0
67.05508	49.5
69.03438	8.3
69.06720	2.6
69.07066	24.6
71.04991	3.5
71.26717	1.4
76.36137	1.4
79.05495	41.6
81.03419	53.0
81.06597	2.6
81.07059	42.5
83.05003	7.3
83.08625	20.7
84.47522	1.4
91.05485	37.1
93.07050	34.0
95.01363	1.5
95.04967	24.5
95.08618	20.9
97.02884	7.5
97.06539	8.7
97.10175	17.9
98.56345	1.4
103.05463	2.8
105.03418	1.6
105.04478	1.9
105.07034	33.0
107.04955	15.7
107.08598	18.9
107.76378	1.3
109.06509	8.4
109.10149	12.7
111.04459	2.2
111.08083	6.0
115.05469	3.6
117.07008	15.3
119.08584	23.3
121.06511	6.5
121.10143	8.7
123.04492	2.2
123.08057	5.4
123.11656	2.6
125.09589	12.8
125.55688	1.5
128.06226	3.2
129.07014	12.9
130.07816	1.7
131.04936	1.7
131.08559	19.2
131.31674	1.3
133.06500	6.4
133.10114	19.7
135.08055	6.7
135.11687	10.2
137.06116	1.4
137.09602	6.0
139.11211	1.4
141.07014	2.3
142.07819	4.0
143.08560	7.8
145.06511	5.5
145.10129	17.3
147.08052	8.3
147.11710	9.1
149.09616	6.6
151.11171	2.4
153.09062	3.0
155.08603	4.9
157.10132	8.0
159.08076	4.9
159.11690	6.6
161.09621	6.4
161.13306	1.6
162.65968	1.9
163.11209	8.4
167.08542	1.8
169.10156	4.1
171.07938	2.3
171.11707	5.0
173.09656	2.3
173.13371	1.6
175.11194	6.8
177.12817	1.7
179.14287	2.0
181.12189	1.7
183.11707	4.4
185.09639	2.9
185.13257	4.4
187.11215	2.4
187.14946	1.9
189.11244	5.8
189.12834	2.3
193.12260	11.6
195.11696	1.9
197.09673	1.9
199.11050	1.4
201.12779	2.7
205.12292	3.1
213.12819	1.7
219.13826	11.4
223.13284	12.8
227.12703	19.0
245.18951	2.5
249.14862	2.6
253.14357	3.7
255.17546	1.5
267.16028	2.3
273.18427	9.6
275.20065	13.4
287.20203	2.7
291.19531	59.8
297.18497	1.8
313.21744	10.5
315.19556	3.0
347.22357	2.2
371.22189	1.8
437.30206	2.8
445.26041	4.7
447.28992	4.9
465.30103	11.5
483.31094	6.4
529.35907	2.5
539.33685	20.3
557.16364	4.5
557.34747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.9
55.01873	19.8
55.05511	24.2
57.03421	4.4
57.07079	3.0
65.03925	3.9
67.05504	57.8
68.99772	1.4
69.03392	3.9
69.07072	31.1
69.15066	11.5
69.15482	2.8
71.04977	4.8
79.05495	62.2
81.03430	9.5
81.07056	65.3
83.04985	9.1
83.08616	17.3
85.06557	2.3
91.04906	2.7
91.05482	58.1
93.07045	73.7
95.01331	9.2
95.04969	18.2
95.08606	71.3
97.02904	5.1
97.05941	1.6
97.06528	28.3
97.10159	4.5
99.04445	5.8
103.05478	3.8
105.04552	1.4
105.07033	69.4
107.04299	2.3
107.04964	27.9
107.08594	41.8
109.06531	6.8
109.10162	11.3
111.04431	2.1
111.08086	4.1
111.23238	1.3
115.05437	3.3
115.94308	1.6
117.07016	22.9
119.08586	43.7
121.06504	9.1
121.10148	21.0
123.04404	3.1
123.08061	6.2
123.11724	2.0
125.05989	2.0
125.09612	4.4
128.06174	2.3
129.07011	8.1
130.07782	3.3
131.08571	25.2
133.06453	2.8
133.10129	35.0
135.08057	7.5
135.11694	50.5
137.09612	4.1
139.07512	4.9
141.06970	2.9
142.07718	1.8
143.08566	7.1
145.06468	2.9
145.10123	42.1
147.07982	1.7
147.11696	16.1
149.09608	8.1
149.13261	4.1
151.11171	2.9
153.12694	1.9
155.08554	4.2
157.10126	5.8
159.08051	2.2
159.11688	11.2
161.09628	3.3
161.13251	5.9
163.11186	56.7
165.09091	5.5
169.10107	4.2
171.11681	6.3
173.09618	2.3
173.13274	4.4
175.11244	2.5
177.12685	3.4
179.14305	14.4
181.10110	2.2
181.12199	10.0
183.11705	3.8
185.13313	1.8
187.11165	3.3
187.14778	2.1
189.12854	2.1
193.12268	1.8
195.11713	1.9
197.13309	2.2
201.12782	1.7
209.13396	2.0
211.14796	1.6
227.12778	71.4
229.19637	1.5
233.15298	1.5
239.17854	1.9
247.20656	4.0
257.18973	7.5
273.18292	1.7
275.20065	100.0
276.20374	1.7
283.15451	1.7
291.19476	3.8
293.21292	10.4
302.44690	1.6
349.23727	1.9
447.32407	2.8
465.33661	1.6
539.37946	9.3
557.15924	3.4
557.34619	55.8
558.34766	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	557.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45159	0.7
53.03938	1.1
55.01840	1.2
55.05497	2.0
65.03917	1.7
65.49081	0.8
67.05477	1.8
67.33270	0.8
69.03394	2.2
69.07050	1.7
70.06593	5.8
71.04986	1.7
71.49858	1.0
72.08147	3.8
74.06065	0.9
79.05486	2.0
81.03403	2.0
81.07047	4.3
84.04489	2.4
84.08144	4.4
85.02887	2.5
86.09698	4.6
89.06027	0.9
91.05482	12.6
91.75808	0.7
92.05804	0.9
93.07027	2.3
95.04953	1.9
95.08588	3.3
96.37730	0.7
97.02910	1.3
97.06528	1.2
99.04424	1.5
105.03394	60.4
105.07021	3.0
107.04949	1.4
107.08585	1.6
109.02880	2.6
109.06516	1.6
110.07190	1.4
112.11234	2.3
117.06973	1.2
119.04947	20.0
119.08630	0.9
120.08112	1.2
121.06516	1.5
121.10114	0.9
123.04382	1.2
123.08045	1.1
125.06026	1.2
127.03893	2.4
128.21890	0.7
129.10236	1.8
131.08548	0.9
133.10149	1.0
134.06020	6.0
136.07571	2.1
137.05992	1.5
139.11147	0.7
139.86948	0.7
145.10112	2.3
146.52681	0.8
147.04411	48.2
154.06148	0.8
155.08450	0.7
161.10750	3.0
162.09145	100.0
163.09528	0.8
163.11270	1.7
167.10760	0.8
187.11151	1.6
188.08371	0.7
191.10803	0.9
201.09187	1.1
207.06685	0.9
215.10600	1.5
233.11736	1.0
233.16504	31.7
250.19130	1.1
379.20099	1.1
393.26617	1.5
396.23001	1.1
411.27557	13.7
412.28076	0.9
414.12881	0.9
442.12402	0.9
492.48230	0.9
557.21002	8.0
557.31238	76.7
558.31506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45159	0.7
53.03938	1.1
55.01840	1.2
55.05497	2.0
65.03917	1.7
65.49081	0.8
67.05477	1.8
67.33270	0.8
69.03394	2.2
69.07050	1.7
70.06593	5.8
71.04986	1.7
71.49858	1.0
72.08147	3.8
74.06065	0.9
79.05486	2.0
81.03403	2.0
81.07047	4.3
84.04489	2.4
84.08144	4.4
85.02887	2.5
86.09698	4.6
89.06027	0.9
91.05482	12.6
91.75808	0.7
92.05804	0.9
93.07027	2.3
95.04953	1.9
95.08588	3.3
96.37730	0.7
97.02910	1.3
97.06528	1.2
99.04424	1.5
105.03394	60.4
105.07021	3.0
107.04949	1.4
107.08585	1.6
109.02880	2.6
109.06516	1.6
110.07190	1.4
112.11234	2.3
117.06973	1.2
119.04947	20.0
119.08630	0.9
120.08112	1.2
121.06516	1.5
121.10114	0.9
123.04382	1.2
123.08045	1.1
125.06026	1.2
127.03893	2.4
128.21890	0.7
129.10236	1.8
131.08548	0.9
133.10149	1.0
134.06020	6.0
136.07571	2.1
137.05992	1.5
139.11147	0.7
139.86948	0.7
145.10112	2.3
146.52681	0.8
147.04411	48.2
154.06148	0.8
155.08450	0.7
161.10750	3.0
162.09145	100.0
163.09528	0.8
163.11270	1.7
167.10760	0.8
187.11151	1.6
188.08371	0.7
191.10803	0.9
201.09187	1.1
207.06685	0.9
215.10600	1.5
233.11736	1.0
233.16504	31.7
250.19130	1.1
379.20099	1.1
393.26617	1.5
396.23001	1.1
411.27557	13.7
412.28076	0.9
414.12881	0.9
442.12402	0.9
492.48230	0.9
557.21002	8.0
557.31238	76.7
558.31506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.4
57.03435	7.0
61.02911	2.2
67.05503	3.0
69.03419	10.0
69.07069	2.7
70.06592	13.1
71.04990	2.4
71.50463	2.7
73.02913	20.3
79.05490	3.7
81.03429	3.3
81.07032	9.1
83.04973	8.1
83.08624	8.5
84.08173	2.4
85.02905	20.4
86.09700	5.7
91.05486	4.4
93.07034	6.4
95.04973	8.2
95.08621	3.6
97.02909	16.9
97.06541	2.8
99.04455	3.4
104.10752	2.3
105.07027	3.2
107.08613	10.3
109.02847	3.0
109.06509	6.9
109.10188	11.2
110.07170	2.9
115.03942	6.5
119.08584	3.6
121.10165	15.7
123.04472	1.8
123.11729	3.1
125.09597	3.2
127.03933	7.0
133.04971	5.2
133.10114	11.0
135.08044	2.6
137.05980	3.2
144.08076	4.2
145.04984	7.0
147.11697	3.3
149.13237	6.4
151.11183	17.6
153.09126	4.6
160.43976	2.2
163.06021	4.3
163.14821	3.3
167.14275	12.0
169.12204	4.2
172.13435	1.9
173.13290	7.7
184.07362	5.9
191.14348	12.1
209.15373	100.0
227.16432	13.0
236.82076	1.9
259.07953	2.9
266.90561	1.8
290.14200	3.1
301.73795	2.0
308.15213	3.4
309.04462	1.9
556.28748	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	555.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.8
53.03948	9.4
55.01876	29.0
55.05514	25.3
57.03434	3.4
57.07066	3.9
65.03950	5.7
67.05508	66.1
69.03425	2.0
69.07073	36.6
71.04979	3.0
71.08638	2.3
73.06546	1.5
77.03940	1.9
79.05496	74.3
79.96980	1.0
81.02977	1.9
81.03416	16.8
81.07059	70.4
83.04987	12.7
83.08629	10.2
85.06531	2.0
85.10198	1.9
91.05486	78.7
93.07050	58.6
95.01339	14.8
95.04971	20.9
95.07991	1.4
95.08612	43.7
97.06535	51.6
97.10172	3.3
98.98471	5.6
99.04457	1.3
103.05469	3.5
105.04528	2.1
105.07035	81.8
107.04958	23.7
107.08602	25.3
109.06515	7.3
109.10160	9.1
111.04449	1.5
111.08083	2.8
113.09638	1.3
115.05477	3.2
117.07027	18.2
119.04932	1.1
119.08588	46.4
121.06517	4.4
121.10153	11.1
123.04449	3.3
123.08061	9.9
123.11732	2.9
125.09692	1.3
128.06233	2.9
129.07007	14.6
130.07835	1.9
131.08575	23.5
133.06445	1.6
133.10141	38.5
135.08064	3.9
135.11679	9.6
137.09602	4.0
139.07523	2.8
141.06990	2.2
143.08560	8.9
145.06503	3.1
145.10132	23.1
146.99051	1.1
147.08049	1.9
147.11696	30.4
149.09647	7.2
149.13268	4.5
151.11237	2.3
155.01044	6.4
155.08534	2.6
157.10060	5.0
159.08014	1.3
159.11707	14.7
161.09645	3.0
161.13258	11.9
163.11218	7.0
165.09042	4.7
165.12837	1.6
167.10544	1.1
169.10124	3.0
171.11703	14.9
173.13263	4.4
175.11238	2.0
175.14803	2.0
177.12740	4.4
179.14311	20.7
183.11797	2.7
185.13315	2.7
187.11247	5.2
187.15030	1.0
189.12724	5.4
197.13324	1.7
201.12799	1.8
205.12300	1.4
207.13785	9.1
215.18028	1.3
217.15958	1.1
229.19559	2.7
239.17903	2.9
239.23682	1.2
241.14339	1.3
241.19592	1.2
247.20636	5.5
257.19016	8.4
259.20630	2.9
263.16409	2.3
275.20081	100.0
279.16043	7.2
293.21155	8.6
313.27411	5.8
349.23868	4.2
511.36734	1.0
537.35529	1.4
555.36847	50.0
556.37274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85733	1.3
51.02371	1.9
53.03949	10.7
53.64325	1.3
55.01629	1.9
55.01875	27.7
55.05511	32.5
57.03424	5.3
57.07069	3.5
61.85727	1.5
65.03943	6.7
67.05506	80.1
69.03424	2.8
69.07071	36.1
69.14424	1.3
69.14763	16.5
71.04988	5.0
71.81371	1.3
77.18743	1.2
77.60454	1.2
79.05495	75.7
80.64330	1.3
81.03420	17.4
81.07056	79.5
83.04990	17.6
83.08612	13.6
85.06552	3.0
85.22403	1.3
91.05483	84.2
93.07043	57.4
95.01340	9.6
95.04979	24.2
95.08611	50.4
97.02934	2.1
97.06530	44.8
97.10180	6.9
99.08105	2.9
103.05469	3.7
105.04525	3.4
105.07034	84.4
106.53409	1.4
107.04958	28.8
107.08601	30.6
107.80091	1.4
108.01504	1.7
109.06539	9.6
109.10163	14.9
111.08070	4.4
115.05447	4.2
116.06255	2.1
117.07030	24.8
119.08585	47.5
121.06516	6.6
121.10161	11.7
123.04413	4.6
123.08089	7.5
123.11683	3.6
124.99970	2.1
125.09630	4.6
126.38795	1.5
128.06265	6.7
129.07008	14.0
130.07787	2.0
131.08571	27.7
133.06552	3.3
133.10133	36.5
135.08058	3.5
135.11700	12.1
137.09653	6.9
139.07521	2.1
141.06953	4.2
142.07777	2.4
143.08548	14.0
145.06491	3.9
145.10127	24.9
147.08031	2.9
147.11697	30.4
149.09644	9.8
149.13274	5.4
151.07587	2.2
151.11142	2.4
153.06976	1.5
155.08585	6.2
156.09357	1.9
157.06491	1.6
157.10135	9.1
159.08109	1.5
159.11699	22.1
161.09688	4.1
161.13263	13.1
163.11205	6.3
165.09096	3.4
167.08495	2.2
169.10139	9.5
171.08092	2.0
171.11696	19.1
173.09610	1.9
173.13283	6.4
175.11122	2.1
175.14842	3.2
177.12767	3.0
179.14328	17.7
181.10100	3.9
183.11664	7.4
184.07356	2.8
185.13316	2.2
187.11200	6.2
187.14877	2.9
189.11253	2.0
189.12764	5.4
193.12268	1.9
195.11790	2.8
197.13258	4.1
207.11923	2.4
207.13686	7.8
209.13240	2.9
211.14854	1.9
223.14946	2.0
225.14723	1.7
229.19580	4.2
233.15398	1.9
239.18050	2.1
247.20647	4.9
248.09079	1.6
257.19012	11.9
259.20612	3.1
264.53967	1.4
273.40302	1.3
275.20071	100.0
276.20236	1.6
279.15866	8.1
293.21057	9.2
311.23788	1.7
331.22626	1.7
349.23920	3.9
445.30966	3.7
457.20300	1.5
463.32227	5.0
481.33365	3.5
537.35699	9.1
555.28754	3.5
555.36761	69.2
556.37592	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2626
Annotation	Arg Asn His Glu
Peak:m/z	Relative Intensity
55.65600	0.5
62.73144	0.4
64.33223	0.5
66.91617	0.4
70.06583	1.4
70.47574	0.4
71.49404	0.5
76.14767	0.5
76.85160	0.4
84.08143	1.0
86.09714	0.6
91.32617	0.4
110.07156	0.6
120.08059	0.6
129.97415	0.4
144.08084	2.0
147.04446	1.1
168.27945	0.4
379.29037	0.5
393.20932	11.5
555.26251	100.0
556.26428	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3327
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
50.67012	3.1
51.36562	3.1
53.03927	9.7
55.01857	11.4
55.05513	49.4
55.17060	2.9
57.03433	8.2
57.07080	19.4
67.05506	49.7
69.03416	8.3
69.07063	13.5
71.04983	5.4
71.49500	3.6
73.73868	3.4
75.05406	3.3
78.02225	3.2
79.05080	3.8
79.05501	52.2
81.03416	77.0
81.07055	34.6
81.44849	2.9
82.37148	3.0
83.04979	14.5
83.08621	28.3
91.05488	55.5
93.07047	27.4
95.04962	24.7
95.08607	11.3
97.02879	6.4
97.06580	3.9
97.10175	40.6
105.07030	36.1
107.04940	13.8
107.08597	28.8
109.02811	3.9
109.06506	8.2
109.10144	14.9
111.04452	4.3
111.08051	6.8
115.05437	13.7
117.07023	38.0
119.04955	4.2
119.08588	61.4
121.06490	9.7
121.10125	9.9
123.08083	4.7
125.09629	32.6
127.03945	3.5
127.11194	8.1
128.06232	8.2
129.06978	15.1
131.08559	17.1
133.06485	5.6
133.10109	9.8
135.08057	14.5
141.06992	6.2
142.07811	4.7
143.08575	17.5
145.06479	43.5
145.10124	7.7
147.08031	8.9
147.11557	5.2
149.09657	4.6
153.09106	5.8
155.08597	7.9
157.10152	14.3
159.08070	17.5
159.11772	5.0
165.07002	4.2
167.08527	6.1
169.10080	6.8
171.08029	6.6
173.09630	7.9
175.11185	7.6
181.10161	10.1
183.08102	7.3
183.11601	6.5
185.09584	8.3
187.11064	4.5
189.11258	30.7
193.10095	4.6
193.12201	12.5
197.09540	5.5
199.11169	5.2
201.14745	4.0
211.13268	5.5
219.13812	4.4
227.12770	15.4
231.10313	3.5
243.17380	5.3
267.15936	13.9
271.16962	55.2
289.18063	16.3
311.20078	19.1
327.72729	4.0
345.20618	8.3
445.27151	8.3
463.28339	9.4
475.61414	3.4
481.29312	6.4
537.32159	27.1
555.33051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98660	1.3
61.52583	1.0
71.49954	1.5
71.50296	1.2
72.67101	1.2
74.46608	1.0
89.03889	1.1
96.76842	1.2
98.97581	2.9
105.06999	2.2
118.06558	17.9
118.39575	1.0
122.09677	2.4
130.06554	3.0
132.08105	4.2
135.04478	1.4
142.06445	1.4
143.07306	2.2
144.08063	8.8
146.06010	60.1
147.06317	1.4
158.99765	1.4
159.09181	6.4
163.03879	1.5
170.06052	5.1
172.04288	3.9
188.07071	100.0
205.09734	44.2
205.11710	1.6
230.13333	1.1
249.47490	1.4
307.97702	1.4
335.85098	1.3
423.14313	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	555.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39729	1.0
57.03427	1.3
57.55946	1.0
58.99584	2.3
58.99872	1.0
67.05486	2.7
69.03416	3.0
69.07074	15.4
70.06571	1.6
71.43070	1.6
73.02916	8.7
74.00660	1.2
75.01447	1.7
76.02238	3.0
81.02268	1.0
81.03408	2.3
85.02895	7.6
86.99035	2.9
87.04478	1.1
95.04980	2.5
97.02869	3.5
97.06523	8.5
98.97626	1.3
105.00104	1.7
105.00860	1.0
109.02878	1.4
112.07601	6.5
125.05943	1.2
127.03944	1.8
128.01630	1.7
132.94240	1.0
140.07059	18.6
142.08624	4.5
154.04913	1.1
154.08627	6.7
163.03888	1.7
164.12183	1.1
166.08640	1.4
170.06346	5.6
172.04242	1.0
182.08119	8.2
198.05846	3.4
201.05829	1.2
215.08473	12.9
216.06894	2.1
226.05351	2.4
234.98840	1.7
240.06718	1.3
244.06403	24.4
257.09567	4.3
261.09042	10.1
282.07837	1.2
286.07458	5.6
303.10074	2.4
321.06281	2.3
377.13577	4.3
388.79608	1.0
407.35095	1.2
423.14325	100.0
424.14557	2.5
501.14987	2.7
555.18579	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	555.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01854	0.8
57.03426	1.4
58.99582	1.8
61.02917	1.6
67.05497	1.8
69.03426	3.3
69.07069	25.9
70.06585	0.5
71.48991	0.8
73.02917	8.5
75.01449	2.4
76.02219	3.0
81.03407	1.7
84.04523	0.8
85.02910	6.1
86.99050	1.5
88.04010	1.0
95.04975	3.4
96.04492	0.9
97.02867	3.3
97.06525	4.6
98.97592	1.1
101.04251	3.4
103.03976	0.6
105.00057	0.8
109.02866	1.5
112.07620	3.5
115.03919	0.7
115.05729	0.5
122.06013	0.8
124.07583	0.9
125.04279	0.5
125.05991	0.8
126.05484	0.7
127.02146	0.6
127.03906	2.0
127.05782	1.0
138.09125	1.2
140.07072	15.0
140.08118	1.0
142.03221	2.4
142.08644	4.7
143.05280	0.6
154.08620	2.2
155.05168	0.8
166.05106	0.6
166.08643	1.1
170.06349	6.6
172.04285	8.7
182.08131	12.2
183.63173	0.5
188.07567	0.7
198.05852	3.9
201.05786	0.9
206.08180	1.5
214.05313	1.7
215.08514	10.8
216.06856	1.6
226.05327	2.7
240.06894	0.8
244.06400	19.5
257.09476	3.0
258.08075	0.7
261.09073	9.7
286.07443	4.5
303.10022	1.6
339.10104	1.2
342.10104	0.9
377.13776	4.8
423.14334	100.0
424.14771	1.0
465.15469	1.1
476.78397	0.6
501.15170	4.0
519.16644	0.8
537.17480	1.0
555.18597	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	554.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32902	0.7
52.73309	0.8
55.05518	2.3
57.03445	2.3
57.07079	100.0
59.05002	41.2
67.05481	0.8
69.07086	2.4
70.06607	0.8
71.08634	79.1
78.52946	0.7
81.07063	1.1
81.18283	0.8
83.08625	4.2
85.10184	67.7
85.34090	0.7
87.04485	2.6
89.06033	11.8
95.08635	1.0
97.10164	3.9
98.21526	1.6
99.08131	0.8
99.11739	15.0
101.06020	1.1
101.09652	4.0
103.07585	3.5
111.11723	0.7
113.13283	6.2
115.07640	0.9
117.09148	16.0
124.65762	0.6
133.08609	11.5
133.09520	1.1
151.09651	3.9
155.17943	10.1
158.11739	0.8
159.13905	0.9
161.11862	1.4
175.13383	1.3
183.39621	0.8
189.11371	0.8
191.12791	4.4
195.21228	0.8
209.13956	2.7
213.18790	0.7
213.22153	18.4
222.99821	0.8
249.17067	1.5
263.16965	0.7
267.18170	2.3
271.26337	18.1
271.29050	1.2
325.22238	1.1
537.43701	1.0
554.52185	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74090	0.7
56.90302	0.6
57.03429	1.6
58.99582	3.2
59.99990	0.6
61.02924	1.8
67.05499	4.6
69.03446	3.5
69.07068	8.8
69.48367	4.7
70.06589	1.3
71.01347	0.8
73.02912	9.7
76.02221	2.2
81.03410	1.3
82.38422	0.6
83.40377	0.7
85.02907	7.1
95.04958	1.7
96.04451	1.0
97.02872	2.7
99.02670	1.6
101.04240	27.3
106.41447	0.7
109.02868	1.3
110.06060	0.9
112.07625	1.4
115.03896	1.1
116.94325	0.7
127.01194	0.5
127.02101	3.4
127.03920	1.2
127.05764	1.3
129.03653	1.3
140.07059	5.0
142.06818	0.8
163.03923	1.1
170.06386	2.1
172.04268	80.8
180.04799	1.6
182.08188	4.1
197.07466	2.1
198.05859	5.0
210.56889	0.8
214.05315	8.9
215.08493	4.5
219.25371	0.7
244.06364	5.0
260.09924	0.9
261.09091	5.9
286.07666	1.0
303.10052	1.5
340.08658	0.9
377.13626	3.0
393.14038	1.2
423.14310	100.0
424.14554	2.9
501.15384	3.1
507.49466	0.8
537.17230	1.5
555.18304	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	554.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
57.03426	0.9
57.07078	100.0
59.05005	29.6
67.05517	1.3
69.07064	2.7
71.08635	77.2
73.02921	43.0
73.08826	0.9
79.05511	1.7
81.07063	1.1
83.08607	2.4
85.10186	70.0
87.04454	4.2
89.06033	9.6
97.10153	2.8
99.11743	12.3
100.50892	0.9
101.09639	3.6
101.80724	0.9
103.07616	2.6
105.07060	1.4
113.13281	4.6
117.09121	8.3
133.08595	4.9
155.17972	8.1
161.08044	1.4
163.13393	1.0
185.19043	2.0
205.10692	3.0
213.22133	14.3
239.14952	10.1
243.23233	3.3
249.13345	2.3
271.26358	4.5
293.84567	0.9
297.19025	1.1
302.03751	0.9
325.18625	1.3
365.09540	0.9
369.25522	1.0
402.76401	1.1
554.42316	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	554.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.03434	2.4
57.07080	96.4
59.05005	63.1
69.07062	3.2
69.30686	10.3
71.08636	100.0
74.09725	1.5
76.96598	1.1
81.07076	2.5
83.08633	3.2
85.10188	87.7
87.04480	3.6
89.06030	13.8
97.10142	2.5
99.11746	10.3
101.05985	1.7
101.09669	6.2
103.07584	2.2
107.07059	1.5
117.09135	23.4
117.84573	1.4
141.16370	10.1
147.10120	3.6
175.09712	1.3
175.13274	2.2
199.20573	25.5
205.14346	3.2
223.15491	1.7
240.23129	3.0
257.24762	27.8
315.29117	3.0
390.80127	1.4
537.42987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99970	0.6
55.01878	0.7
55.05500	1.1
56.79971	0.7
58.18021	0.6
61.02913	0.9
68.46632	0.6
69.03429	1.3
69.07064	1.3
70.06589	3.2
71.04613	0.7
71.04992	11.3
71.50745	1.2
73.02925	3.2
77.80825	0.6
79.05491	1.5
81.03405	1.1
81.07059	1.1
83.04959	1.0
83.08607	2.9
84.04504	1.0
84.08138	1.4
85.02915	4.0
86.09695	2.5
90.59013	0.6
93.07005	0.8
95.04978	0.8
95.08584	2.2
97.02876	1.8
99.04453	41.2
105.07010	2.0
107.08594	12.7
109.06517	12.0
113.09647	1.9
118.06541	1.4
120.08072	0.8
121.10139	3.5
123.08067	7.5
123.11712	5.7
125.09618	2.6
127.03943	0.9
131.28922	0.6
139.11293	1.0
146.05998	1.0
147.11705	2.1
149.09618	4.9
159.09084	0.7
165.12756	6.8
167.10667	18.4
181.12181	0.7
183.13795	15.9
184.07361	0.9
189.12810	1.3
207.13757	1.5
222.69395	0.6
225.14853	100.0
226.15288	1.3
229.11591	0.9
332.19733	0.8
342.99457	0.7
488.75726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66366	0.4
51.62320	0.3
56.05023	0.7
60.07889	0.5
60.08166	6.1
67.05518	0.7
70.06585	1.4
71.07372	3.3
71.49478	0.5
81.07042	1.0
82.07381	0.3
84.08143	0.8
86.09708	31.5
91.05479	0.7
93.07031	0.4
95.05023	0.4
95.08606	1.5
98.98458	3.2
99.04317	0.3
103.64557	0.3
104.10738	3.8
104.56019	0.3
105.07050	0.6
109.02904	0.6
120.08065	0.5
125.00004	22.0
127.03855	0.4
137.05972	1.2
184.07341	100.0
185.07710	0.7
258.11053	0.4
320.35098	0.4
344.45734	0.3
534.28284	1.5
552.29291	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	552.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82310	1.4
55.05507	5.8
56.05027	3.9
57.07067	5.0
57.22358	1.3
60.04524	2.5
67.05504	11.2
69.07075	8.5
71.08636	2.5
72.04482	1.3
79.05486	8.3
80.05003	2.4
81.05794	1.5
81.07056	11.6
82.06588	7.3
82.75313	1.4
83.08627	3.6
91.05487	7.8
93.07056	8.5
94.06568	17.8
95.07320	8.0
95.08588	7.7
96.08121	5.2
97.10151	2.8
105.07034	6.0
107.08585	4.8
108.08127	3.2
109.10161	2.7
111.11689	1.3
119.08576	6.1
121.08887	1.4
121.10124	6.4
122.09689	2.6
133.10152	2.3
135.11687	3.9
137.13208	1.6
147.11621	1.8
174.52603	1.4
204.81754	1.2
229.37871	1.7
233.22638	4.3
245.22565	4.4
250.25298	8.7
262.25308	100.0
264.13193	1.3
272.25937	3.8
280.26447	9.3
296.85376	1.4
325.89105	1.2
504.47879	3.2
516.47656	9.9
534.48767	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	552.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	9.7
67.05490	16.6
69.03403	23.8
70.06569	12.8
70.09135	21.5
70.27993	4.7
75.43212	5.1
83.04978	36.3
85.02883	20.2
89.03896	6.5
89.12319	5.7
91.82309	6.7
93.03387	14.5
95.04982	28.7
97.02854	6.0
99.00806	39.9
107.04936	15.1
109.02883	7.9
110.73438	6.3
111.04442	49.4
117.01825	9.9
117.03388	8.1
121.02870	10.9
123.04391	30.3
129.05450	29.3
135.04405	23.2
139.03885	22.9
145.02818	6.1
147.04419	8.8
147.06500	11.2
151.07471	5.2
153.06989	10.6
157.04893	25.3
163.03915	54.8
175.05945	7.7
181.06444	15.1
187.03955	6.0
189.05431	7.0
193.07191	9.1
199.07491	6.2
205.06467	28.6
223.07539	28.3
233.05995	21.9
245.08250	8.1
251.07054	49.6
255.06462	6.2
261.05444	11.3
269.07953	33.9
273.06085	95.9
279.06506	100.0
283.06100	6.9
297.07571	78.9
307.06088	26.6
308.06183	6.7
325.07016	73.1
341.71417	5.6
343.08066	12.4
499.12433	43.3
553.61761	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	551.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
53.58860	2.3
55.05513	15.9
57.07072	19.3
65.03941	4.6
67.05511	32.8
69.07076	21.6
69.25134	15.6
69.25538	5.7
71.08617	4.0
79.05494	26.7
81.03368	2.8
81.07062	43.0
83.08600	7.6
91.05482	42.2
93.07050	70.3
93.07639	3.6
95.04958	2.6
95.08611	56.3
95.73347	2.2
97.10167	2.7
98.20705	4.2
99.05490	2.8
103.05470	5.7
105.07037	74.2
107.08591	56.5
109.10168	47.0
114.79683	2.4
115.05456	3.8
117.07009	16.4
119.08589	100.0
121.10151	58.1
123.08087	2.5
123.11701	16.9
128.06224	7.6
129.07001	13.0
130.07790	6.5
131.08565	29.3
133.10143	65.4
135.11700	39.2
137.09557	2.3
139.21503	2.8
141.06979	5.5
141.74368	3.0
142.07822	13.5
143.08546	23.1
144.09335	7.9
145.10130	75.0
147.11693	24.5
149.13252	9.7
155.08481	12.0
156.09332	10.4
157.10126	35.5
158.10936	4.4
159.11691	35.5
160.12360	2.5
161.13260	8.1
165.07030	2.9
167.08560	5.1
168.09341	3.5
169.10110	19.1
170.10852	4.3
171.11659	20.8
172.12476	3.1
173.13295	28.3
175.14851	39.6
179.08563	8.8
181.10132	8.9
182.10924	5.5
183.11757	16.8
185.13286	16.4
187.14819	20.4
193.10141	6.0
194.10915	4.3
194.89279	2.5
195.11703	15.0
196.12468	3.9
197.13266	22.4
199.14871	11.6
201.16385	13.1
203.18224	2.3
207.11691	10.7
208.12476	4.5
209.13272	17.9
211.14905	14.5
213.16417	5.3
219.11661	3.4
219.17471	3.8
221.13269	8.3
223.14819	9.4
225.16422	7.1
235.14818	3.1
237.16376	4.3
239.17931	4.0
241.19576	4.4
247.14983	5.8
249.16382	5.8
251.17892	4.2
253.19701	4.1
261.16406	4.3
263.17950	3.2
265.19498	6.0
267.21100	6.6
277.19452	3.8
279.21127	3.7
283.20612	4.4
285.22250	4.7
327.07791	5.1
329.22464	2.6
345.26028	3.2
397.97012	2.7
411.13290	2.9
411.30219	2.9
429.31409	4.7
495.26425	8.6
533.41217	6.0
537.97046	2.9
551.42676	39.6
551.50433	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	551.4248
Annotation	Anhydrolutein I
Peak:m/z	Relative Intensity
51.02379	1.1
53.03944	3.6
55.01852	0.6
55.05511	12.4
57.07076	7.8
59.04980	1.7
61.53844	0.7
63.74546	0.6
65.03934	2.6
67.05506	26.3
69.03413	1.1
69.07069	16.4
69.95474	0.6
71.08629	1.9
71.42569	0.8
77.03925	1.1
79.05492	23.2
81.03428	1.4
81.07053	40.5
83.05009	0.7
83.08614	9.8
85.06532	2.2
85.10178	1.9
91.04634	0.7
91.04897	1.4
91.05479	39.3
93.07042	53.9
93.21111	0.6
95.04951	3.7
95.08607	41.6
97.06507	1.5
97.10186	1.2
103.05473	4.5
103.88010	0.6
105.04530	2.0
105.07030	67.4
107.08595	53.6
109.06513	2.5
109.10155	39.8
111.08073	1.4
115.05471	4.6
116.06252	1.5
117.07010	15.3
119.08581	100.0
120.09368	0.9
121.06509	1.0
121.10143	46.8
123.08080	2.7
123.11706	13.8
127.68492	0.6
128.06223	6.6
129.06146	1.1
129.07007	10.8
130.07805	6.4
131.08572	28.8
132.09389	1.0
133.07588	1.8
133.10129	56.4
135.08025	0.7
135.11690	36.0
136.12057	0.7
137.09610	3.2
137.13231	1.5
139.11209	0.8
141.06972	5.8
142.07784	15.5
143.08560	22.6
144.09357	7.0
144.17661	0.6
145.10120	61.4
146.10912	0.6
147.11687	20.8
149.09631	2.6
149.13280	5.0
151.11229	0.8
151.14812	1.5
153.07008	1.7
154.07806	2.5
155.08553	9.6
156.09348	9.7
157.10127	35.5
158.10909	5.9
159.11693	34.4
159.13043	1.4
160.12457	1.2
161.09694	0.8
161.13263	12.3
163.11201	2.5
163.14871	2.5
165.07039	2.2
166.07787	1.7
167.08563	6.3
168.09348	3.5
169.10127	17.7
170.10933	4.9
171.11684	23.5
172.12445	2.3
173.13274	20.6
175.14821	39.5
177.12758	0.9
177.16490	0.9
179.08565	6.4
180.09274	1.9
181.10109	9.5
182.10930	6.6
183.11681	17.7
184.12463	1.8
185.13246	14.8
186.14095	1.8
187.14827	15.5
189.16341	3.2
191.14282	1.3
192.09294	1.0
193.10147	6.4
193.15891	1.9
194.10898	5.1
195.11681	12.8
196.12480	4.2
197.13257	19.9
198.14044	1.7
199.14822	8.3
201.16403	12.4
203.14334	1.0
203.17859	0.9
205.10112	2.1
205.15848	1.2
206.10977	2.6
207.11658	8.5
208.12524	3.6
209.13258	14.1
210.13968	2.2
211.14816	11.6
212.15366	0.8
213.16414	6.8
215.14600	0.6
215.18022	1.9
217.10187	0.9
217.15958	1.7
219.11743	2.5
219.17450	3.7
220.12483	2.2
221.13272	6.1
222.14029	0.9
223.14828	10.5
224.15578	0.8
225.16380	5.1
226.17171	1.0
227.18025	2.4
229.10133	0.8
229.16023	0.9
231.11664	1.8
232.12524	2.0
233.13257	3.3
234.13979	1.7
235.14786	5.7
236.15565	0.8
237.16350	6.0
238.17128	0.7
239.17905	4.1
241.19556	3.5
243.17616	0.9
244.12434	1.4
245.13300	2.2
246.14078	1.3
246.74570	0.7
247.14706	3.0
249.16434	2.9
250.17203	1.1
251.18028	3.7
253.19446	4.6
255.21179	1.0
257.19049	1.9
258.14114	0.8
259.14850	2.6
259.20691	2.3
260.15475	1.2
261.16376	3.3
263.17929	3.3
265.19553	3.8
267.21051	5.5
271.14755	0.7
271.20569	1.1
273.16522	1.3
275.17972	2.3
277.19492	3.2
279.21024	3.2
281.19177	0.8
281.22546	0.7
283.14780	0.8
283.20602	2.6
285.16498	1.1
285.22083	3.2
289.19547	2.4
291.21088	2.1
293.22852	0.9
295.24286	0.8
297.22186	0.9
301.19598	1.2
303.21136	1.4
305.22635	1.3
309.22110	1.3
317.22623	1.1
319.24289	1.8
321.22165	1.0
321.25732	0.9
323.23846	0.8
331.24350	1.4
333.25845	2.2
337.25214	1.4
345.25851	2.6
347.23477	0.8
349.25345	1.1
357.26056	1.0
359.27292	1.8
363.26788	1.0
375.26776	0.8
398.29877	0.8
399.30829	0.8
411.30618	1.8
415.29904	0.9
423.30798	0.7
429.31531	3.0
439.33847	0.7
453.35873	0.7
457.34653	1.0
459.36227	1.8
471.60300	0.7
472.37070	0.7
495.36444	3.2
516.39905	0.7
522.89703	0.7
533.41388	4.4
551.42529	37.9
551.49585	1.3
552.42969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28857	0.6
53.47366	0.7
60.79655	0.7
61.02912	0.7
69.03435	0.9
70.06593	2.2
71.09328	0.9
71.09657	0.7
72.08145	0.8
73.06539	0.9
81.03426	0.7
85.02910	3.6
86.09702	1.7
87.04478	3.9
89.06032	100.0
90.15564	0.7
91.07611	0.6
95.07860	0.7
97.02869	1.2
107.07047	1.0
117.09162	0.9
131.07024	1.6
133.08604	56.5
144.08076	5.4
145.08476	2.8
173.12930	1.7
177.11230	23.5
199.69298	0.6
209.15240	0.7
221.13864	4.8
239.14977	1.1
265.16519	1.6
283.17480	3.2
309.18985	1.0
327.20084	3.8
353.21835	0.8
371.22757	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	550.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	0.4
55.05476	0.6
56.05012	0.4
57.07026	8.0
58.06598	1.5
58.17263	0.3
59.04973	0.3
64.47234	0.3
67.05456	0.5
69.07019	0.6
69.18324	0.5
69.18725	2.6
70.06592	11.2
70.65631	0.3
71.08634	2.5
72.08117	0.7
73.02869	0.5
74.06033	0.4
79.05448	0.3
81.07009	0.8
83.08575	0.3
85.10117	0.8
87.04460	1.8
88.07631	14.9
91.05429	0.6
93.06996	0.5
95.08547	0.3
98.21375	1.2
99.04466	1.8
99.51945	0.3
100.07520	0.4
101.05971	0.3
102.09180	12.5
105.06988	0.8
107.08553	0.5
119.08532	1.0
121.10134	0.4
131.08510	0.5
133.10056	1.1
147.08023	0.5
147.11693	0.7
159.11668	0.7
160.35884	0.3
161.09622	4.9
163.11145	0.9
175.11200	0.7
188.08392	1.5
189.16266	0.3
203.10667	4.4
203.14233	0.6
212.23703	0.8
217.15845	1.5
219.17441	5.5
224.80174	0.3
228.23264	0.3
233.35861	0.3
247.13249	0.6
254.24763	2.0
256.26352	100.0
257.26657	1.2
259.16940	15.4
274.27353	2.0
303.19589	2.6
305.21066	0.4
476.37509	1.7
532.43640	21.0
533.43823	0.7
550.44800	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	549.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
55.05501	1.0
56.05033	1.3
57.03426	2.3
58.28459	0.9
59.04973	1.3
61.21275	0.7
61.55205	0.8
65.03924	1.0
67.05499	1.1
68.99783	1.3
69.03420	1.5
70.06598	7.0
71.01344	3.8
71.04990	2.5
71.49993	1.5
72.08143	2.0
73.02915	11.5
79.05473	1.0
81.03411	2.2
82.46361	0.8
84.04510	1.2
84.08140	4.6
84.08563	0.8
85.02486	0.9
85.02908	7.7
86.09705	5.3
87.04478	4.6
89.02377	2.7
89.05492	1.2
89.06033	16.3
90.06351	1.1
91.05479	2.8
93.03406	0.8
97.02866	2.0
99.04436	2.2
103.03933	8.3
107.04927	0.8
109.02885	2.9
110.07147	1.0
116.07063	0.8
117.05491	9.2
119.04923	4.4
120.08102	1.9
121.02869	10.5
123.04491	1.2
124.07584	0.9
127.03905	1.3
129.10225	2.3
131.04926	1.1
131.07031	1.1
133.08624	9.9
134.08977	1.1
135.04460	0.9
136.07616	1.1
137.05962	1.5
144.08173	0.8
145.02870	4.4
146.06015	0.9
147.04420	2.4
149.02324	3.1
161.06029	1.1
163.03879	3.7
165.01830	13.1
167.03427	4.2
177.01852	1.8
177.05431	1.3
177.11237	3.5
183.02876	3.8
187.03896	3.4
187.08795	1.2
189.01843	1.2
191.03459	1.2
193.01778	1.0
195.02867	2.8
205.04980	1.7
211.02786	1.4
221.13817	1.1
229.04909	2.3
233.04349	1.1
233.09183	3.4
237.00757	1.5
238.76488	0.9
239.07001	1.4
243.03087	1.5
255.06653	1.9
255.97403	1.0
256.07184	1.5
267.06454	10.1
270.05273	3.1
271.05994	8.0
279.06528	2.2
281.08020	8.7
283.06003	83.9
284.06735	11.8
289.08463	0.9
293.08142	1.1
295.06082	20.3
295.09521	3.7
297.04153	1.7
297.07599	2.5
305.08060	4.7
307.06033	4.8
308.06723	4.1
309.03976	2.5
309.07523	29.7
311.05359	2.9
313.07050	100.0
314.07364	1.1
319.06137	1.2
321.07452	2.7
323.09149	18.3
325.07169	1.5
326.43710	1.0
327.09711	1.7
333.07651	9.8
337.07047	46.0
345.02878	1.3
349.07126	6.9
351.08643	4.4
358.55072	0.9
361.07034	13.0
363.04007	2.3
367.08105	14.2
379.08115	47.0
387.11227	1.0
397.09201	11.0
415.10126	14.5
433.11169	11.8
489.06747	2.9
495.08844	1.9
513.10284	20.0
531.11389	10.0
549.12213	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	549.1243
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03940	0.3
55.05510	0.5
56.05041	0.3
57.03424	0.4
57.88749	0.2
59.04990	0.6
60.30968	0.3
69.03429	0.8
69.07043	0.4
70.06595	1.4
70.35229	0.3
71.49343	0.3
72.08153	1.0
73.02906	0.5
79.05499	0.5
81.03419	0.8
81.07040	0.9
84.04492	0.6
84.08142	0.8
85.02900	0.7
86.09710	2.2
89.06026	0.3
91.05459	0.6
94.06608	0.3
95.04961	0.3
95.08578	0.4
97.02880	0.4
105.07084	0.4
107.04967	0.4
107.08573	0.6
109.02883	0.7
109.10149	0.5
117.03386	0.7
117.09115	0.3
119.04938	0.7
120.08077	0.6
121.02885	0.3
123.04456	1.0
123.08115	0.3
127.03923	0.6
129.10255	0.5
133.08530	0.3
135.11626	0.4
136.07596	0.4
137.05984	1.7
139.03940	0.3
144.08102	0.5
145.02853	2.0
147.04407	1.0
149.06021	0.5
151.03889	2.7
153.01895	0.5
153.05449	0.4
163.03908	0.5
167.07043	0.6
170.52499	0.3
177.05481	3.8
181.05011	0.3
191.03276	0.4
205.06831	0.2
207.06482	0.3
217.08528	0.3
219.10175	3.0
258.02524	0.6
258.05246	12.6
283.06076	1.1
286.04727	33.5
297.07370	0.4
301.07071	100.0
302.07407	1.2
309.07825	0.8
313.07092	1.6
335.09235	0.4
337.07288	1.3
337.10785	0.3
363.08563	1.0
371.14841	1.7
381.09720	1.7
417.11496	1.7
463.12415	1.3
499.13470	0.4
548.34705	0.6
549.12207	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	548.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26914	0.7
53.19314	0.6
57.03423	0.7
59.05003	22.7
61.77046	0.6
64.31739	0.7
68.32673	0.7
70.06584	4.6
70.40413	0.7
72.08163	1.2
73.06551	1.3
84.08142	2.0
86.09714	3.0
87.04471	7.6
88.29331	0.7
89.06035	100.0
90.06358	0.8
91.05526	0.7
98.21544	1.2
103.07594	3.1
117.08402	0.7
117.09159	2.8
120.08092	0.7
123.04465	0.6
127.03920	0.6
130.08630	0.7
131.07050	2.7
133.08612	62.4
147.10155	1.3
161.11760	2.2
170.05908	0.7
175.09711	1.9
177.11238	23.1
192.89926	0.7
212.14305	0.6
221.13892	4.3
239.15083	0.8
265.16479	1.1
283.17520	1.4
327.20184	1.9
371.22775	2.4
415.25391	12.3
429.14859	0.7
473.29749	2.0
496.17764	0.9
531.33813	1.5
538.46240	0.7
548.20605	1.4
548.35052	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	548.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	11.6
68.46158	1.0
69.03434	1.9
69.07050	1.2
69.91241	4.9
70.06599	10.1
70.54897	1.1
72.08161	2.9
73.02922	2.1
73.50546	1.0
81.03415	1.2
81.07043	1.3
84.04494	1.4
84.08141	3.6
85.02905	3.3
86.09718	5.4
87.04475	30.6
89.06035	71.6
91.05489	1.3
93.07041	1.4
95.08596	1.3
97.90716	1.2
99.04412	1.9
103.03946	100.0
103.07601	5.4
105.07082	1.1
107.07037	1.1
107.08612	1.1
109.02891	1.2
110.07090	1.4
115.90216	1.1
116.07091	1.4
117.05519	5.4
119.04936	1.4
119.07069	1.6
120.08089	2.5
121.08601	1.7
129.10201	1.8
131.07050	9.9
133.08612	48.2
136.07579	1.8
141.55049	1.1
147.04456	2.4
147.06511	11.7
147.10191	2.3
160.64520	1.2
161.07999	1.3
163.09726	1.8
167.06865	1.2
167.91922	1.0
171.09340	1.1
175.09688	4.5
177.11232	17.6
191.09134	7.7
191.12860	1.5
207.12363	4.5
219.12187	2.0
221.13866	4.0
232.33058	1.0
235.11784	7.8
237.13316	1.8
249.60959	1.1
251.14792	1.3
265.16483	1.6
267.06567	1.3
279.14468	1.7
283.05945	6.4
295.06128	1.4
297.07504	1.2
309.07819	1.4
313.07278	5.6
323.09039	2.9
327.20407	1.4
337.06992	2.0
361.07101	1.4
379.08032	2.6
427.25308	1.6
455.24667	1.7
473.25928	8.5
531.30316	2.2
548.30725	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01865	5.4
55.05517	24.0
57.03427	8.5
57.07064	3.9
65.03934	4.3
67.05506	79.2
69.07079	22.9
70.15973	10.4
71.04968	6.6
71.08606	2.5
79.05498	43.4
81.07063	100.0
83.04997	6.0
83.08624	13.5
85.06549	6.1
89.06043	3.8
91.05490	30.6
92.11516	2.3
93.07048	59.0
95.04965	5.2
95.08610	49.5
97.06509	7.8
97.10158	3.3
97.92966	2.2
105.04494	4.5
105.07036	29.2
107.04895	2.5
107.08597	35.2
109.06490	5.0
109.10159	26.4
111.08116	2.2
117.07004	9.5
119.08590	21.1
121.10152	27.8
123.11728	11.9
129.07016	3.6
131.08578	19.9
133.06488	2.6
133.10150	18.8
135.11679	16.7
137.09610	2.6
137.13228	2.6
143.08601	2.5
145.10153	15.8
147.11702	19.7
149.09604	3.5
149.13261	25.0
151.14946	2.5
155.08653	3.7
157.10112	5.9
159.11708	14.9
161.13237	8.3
163.14799	4.7
165.12730	4.9
171.11681	4.3
173.13257	7.5
175.14719	4.2
177.12738	3.6
181.10155	2.8
185.13208	3.4
187.13342	2.6
187.14890	3.8
195.13814	9.6
199.14796	3.3
201.16423	2.6
225.16272	3.2
256.31082	2.5
257.17169	2.9
261.22153	19.4
267.15881	7.1
269.17459	22.5
287.23636	4.2
301.25250	4.6
317.24704	4.1
335.25891	16.8
375.29092	2.9
437.34048	10.1
455.35229	10.5
473.35983	6.8
511.37836	5.1
529.30701	2.9
529.38898	52.2
547.40179	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	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19241	1.1
53.03939	6.5
55.01859	2.1
55.05265	2.2
55.05510	20.9
57.03440	3.3
57.07075	3.9
59.04985	1.4
63.50009	1.1
65.03932	4.4
67.05504	100.0
68.08384	1.2
69.03433	3.8
69.07066	20.4
70.75008	1.5
70.75340	2.2
71.04993	56.5
71.08613	1.4
77.03934	1.5
79.05019	1.8
79.05493	55.7
81.03421	10.1
81.07054	53.7
83.04990	9.4
83.08613	10.6
85.06553	5.3
91.05484	49.9
93.07042	61.9
95.04968	9.5
95.08605	41.0
97.06519	7.1
97.10186	5.6
99.08064	1.4
105.04551	1.9
105.07038	18.3
107.04985	3.1
107.08593	24.1
109.06536	4.1
109.10155	58.1
109.61277	1.2
110.25216	1.1
111.08104	4.0
115.05476	1.5
117.07024	11.5
119.08582	25.9
121.06554	2.3
121.10148	23.7
123.08107	2.1
123.11735	4.8
125.09652	3.3
125.72016	1.1
128.06268	2.3
129.07040	2.1
131.08565	13.0
133.06554	1.3
133.10149	11.7
135.08112	1.7
135.11688	26.5
137.09604	22.0
137.13219	1.2
137.56763	1.3
143.08633	2.0
145.10117	15.9
147.11679	7.2
149.09624	1.5
149.13341	3.5
153.12752	1.4
155.10701	3.7
157.10193	3.3
159.11760	3.5
161.13297	5.1
163.11163	6.9
163.14832	1.5
169.12187	8.7
173.11859	2.6
173.13335	4.0
175.14917	2.6
181.10039	1.1
181.12296	4.8
183.11800	1.6
185.13292	1.4
187.14839	1.6
193.12338	1.9
213.14915	1.4
227.12808	6.3
236.16330	1.4
246.36076	1.3
255.16008	2.0
261.22351	4.0
263.23975	1.4
267.16016	5.3
269.17645	3.5
271.15613	4.0
285.22192	1.2
303.26767	2.0
317.24823	1.6
337.27707	3.1
361.27319	2.1
363.25336	3.0
383.32895	1.2
455.35602	3.2
473.36343	2.7
489.95349	1.4
503.37277	21.9
515.37329	12.5
529.38660	10.6
547.40094	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	547.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.4
59.04999	1.7
63.11916	0.4
69.03427	0.5
69.20648	0.9
69.21067	2.6
70.06595	4.0
71.04978	0.4
72.08161	0.9
73.02912	0.7
73.06552	2.0
81.07072	0.5
84.04481	0.4
84.08138	1.7
85.02904	0.7
86.09706	1.7
87.04474	11.1
87.04986	0.9
89.06033	100.0
95.04961	0.4
98.20812	0.7
107.07068	2.0
109.02859	0.4
110.07148	0.4
116.45764	0.4
117.09140	1.2
120.08146	0.9
127.03865	0.5
129.10278	0.9
130.08635	1.1
131.07054	2.9
133.08607	52.7
136.07629	0.5
149.08041	0.4
151.03873	0.4
159.88773	0.4
175.09653	1.6
175.11967	0.9
177.11223	11.3
195.25763	0.5
199.07603	0.4
221.13818	1.7
223.15648	0.4
254.03029	0.4
283.05997	0.7
306.01337	0.4
366.99084	0.7
385.24316	1.1
414.15875	0.4
427.00977	0.5
526.63721	0.4
547.21222	0.9
547.30011	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
61.01144	1.1
65.03937	1.3
70.06593	3.0
71.06052	0.3
71.49863	0.4
72.04521	2.0
72.08164	0.9
78.03790	2.3
84.04498	0.9
84.08161	0.7
86.06060	0.6
86.09711	3.9
87.79809	0.3
88.02211	0.9
91.05478	7.1
93.07052	0.3
95.04948	0.4
98.02414	0.5
98.06078	0.8
102.03767	2.6
113.05951	0.5
114.03740	1.7
118.03237	0.4
119.04945	19.4
121.06528	0.5
123.04398	0.4
124.07632	0.8
127.03908	0.4
130.03232	0.6
130.08615	0.6
131.06383	1.7
132.04790	2.3
136.07584	0.8
138.17953	0.3
142.08656	2.2
144.08107	1.3
147.04411	100.0
148.04756	0.9
149.07440	11.5
154.08595	0.3
157.07657	0.5
159.05846	0.7
159.09244	0.4
175.05408	1.1
184.09637	0.7
206.06248	0.4
208.09695	0.4
218.08118	14.0
221.09485	0.4
221.97754	0.3
243.11578	0.9
252.10237	0.9
261.12613	5.6
273.10956	0.4
277.09995	0.6
286.17844	0.3
295.11115	21.6
378.06583	0.5
407.16302	3.8
416.13083	17.4
495.76083	0.4
528.18512	6.1
542.61688	0.4
546.19507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01871	4.2
55.05515	30.5
57.03440	3.8
65.03948	3.0
67.05507	57.1
69.03432	3.8
69.07069	14.6
71.04993	2.1
77.03918	1.7
79.05499	36.2
81.03416	19.7
81.07058	54.5
83.04996	5.6
83.08622	14.7
85.06554	3.5
91.05479	32.1
93.07050	33.4
95.04981	13.4
95.08616	38.6
97.06525	3.1
97.10176	18.0
98.20766	7.0
103.97057	1.4
105.07040	30.7
107.04976	5.7
107.08595	26.2
108.82923	1.5
109.06527	3.5
109.10153	24.9
111.08127	2.7
115.05457	2.0
117.06290	2.6
117.07022	14.3
119.04893	1.8
119.08587	24.6
121.06509	6.3
121.10163	17.5
122.14010	1.6
123.08094	4.9
123.11719	6.9
125.09648	13.9
125.76804	1.6
129.07037	8.6
131.08580	21.8
133.06494	3.5
133.10139	18.4
135.08086	6.0
135.11685	11.4
141.06976	2.6
143.08617	6.7
145.06493	2.8
145.10132	15.6
147.08080	2.9
147.11679	11.9
149.09660	4.1
149.13284	5.5
155.08600	2.8
157.10121	9.0
157.40163	1.6
159.08115	1.8
159.11717	12.0
161.09630	1.7
161.13274	5.6
163.11174	3.8
163.14835	2.2
169.10219	4.8
171.10275	3.8
171.11707	6.4
173.11852	2.5
173.13181	8.7
175.11188	4.3
175.14934	4.1
181.10274	1.7
183.11832	4.2
185.13318	4.5
187.14870	5.5
189.11256	6.7
189.12764	1.8
189.16423	2.0
191.14346	2.5
193.12248	9.6
195.11732	3.1
197.13300	2.7
199.14799	2.5
213.12712	2.1
213.16293	2.2
227.12726	15.8
229.61209	1.9
233.15375	2.5
247.17067	2.7
261.19595	2.2
261.22076	12.0
264.20056	2.0
267.15948	24.0
279.23297	2.4
285.22324	2.9
299.23709	3.6
301.25220	19.3
317.24982	2.5
335.25821	17.4
359.25867	2.2
421.25833	2.2
435.27344	3.3
435.32474	9.2
453.33682	13.9
471.34799	13.7
509.36661	2.2
527.37354	56.2
528.38055	2.4
545.38416	100.0
546.38745	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
53.88028	0.9
55.01876	5.4
55.05510	31.0
57.03436	8.2
57.07072	3.3
59.04993	1.7
65.03934	3.5
67.05503	64.6
68.05850	1.0
69.03421	4.5
69.07069	18.3
71.04998	5.7
71.08634	2.2
77.03923	0.9
79.05492	51.8
81.03413	31.8
81.07054	65.1
83.04983	6.4
83.08617	20.9
85.02905	12.1
85.06539	3.7
87.04454	0.9
91.05481	45.2
93.07040	46.9
95.04964	22.6
95.08603	38.1
97.02908	1.9
97.06510	4.6
97.10152	13.0
98.20782	1.6
99.08103	2.1
103.05440	1.1
105.04509	2.1
105.07027	33.3
107.04954	7.0
107.08591	28.5
109.06518	6.7
109.10155	20.3
111.04480	2.4
111.08072	7.4
113.06025	1.4
113.09653	1.0
115.05451	1.6
117.07018	11.4
119.08579	27.4
121.06492	6.2
121.10151	22.4
123.08070	4.1
123.11699	8.4
125.09618	10.0
128.06258	1.3
129.07007	8.6
131.08565	22.4
133.06500	2.5
133.10135	18.2
135.08060	3.0
135.11682	13.5
137.09645	2.8
137.13229	2.1
139.11148	1.2
141.07008	1.6
142.07751	1.9
143.08577	7.0
145.06497	2.1
145.10104	15.7
147.08049	3.9
147.11681	16.9
149.09616	4.9
149.13275	6.1
151.11299	1.4
151.14854	0.9
155.08609	2.2
157.10130	10.9
159.08080	1.3
159.11665	10.4
161.09673	1.9
161.13228	7.0
162.23840	0.9
163.11209	3.8
163.14864	3.2
165.12785	2.8
167.08669	1.1
169.10117	4.4
171.10326	1.6
171.11604	4.6
173.09679	1.1
173.13257	7.9
175.11209	9.7
175.14825	3.9
175.84839	1.1
177.12787	2.2
179.14343	2.9
181.10156	1.7
183.11688	2.8
185.13322	2.6
187.13354	1.1
187.14804	4.3
189.09711	1.3
189.11235	6.1
189.12653	1.6
191.91745	1.0
193.12236	29.0
195.11694	1.7
197.13164	1.6
199.14813	1.5
201.12891	1.1
201.16396	1.7
205.16032	1.2
211.13275	24.2
213.16463	1.4
227.12758	9.3
233.15372	2.0
243.21153	2.6
247.16931	1.3
259.20663	1.2
261.22226	10.0
267.15863	14.3
273.22208	0.9
273.25256	0.9
275.20172	1.2
277.21533	1.6
279.23203	1.9
283.24210	1.3
285.22128	2.8
287.19962	1.5
299.23755	1.3
301.25214	12.8
303.23157	2.1
317.24667	1.3
335.25775	10.8
341.24878	1.3
345.24429	0.9
351.25479	1.1
359.26019	1.4
417.31598	1.9
421.25839	1.5
435.32379	5.7
453.33704	8.6
471.34796	5.8
509.36371	2.2
527.37341	37.6
545.38373	100.0
546.38818	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01867	4.1
55.05271	2.8
55.05513	33.4
57.03431	10.7
57.07070	2.9
59.04997	2.2
59.53060	1.7
62.92267	2.0
65.03937	3.0
67.05508	74.0
69.03423	3.5
69.07066	18.0
71.04996	5.7
79.05495	53.7
81.03419	25.6
81.07060	63.0
83.04983	9.8
83.08624	23.0
85.02913	8.8
85.06562	2.6
91.05478	44.7
93.07047	54.0
95.04967	21.0
95.08604	44.1
97.06525	7.9
97.10168	16.7
98.21556	4.1
105.04517	2.7
105.07040	32.0
107.04971	6.6
107.08602	31.1
109.06513	5.7
109.10170	22.0
111.04463	2.0
111.08073	8.7
115.05451	2.3
117.07014	13.5
119.08590	31.2
121.06526	5.9
121.10154	21.3
123.08059	5.6
123.11753	10.4
125.09624	12.7
129.06972	10.9
131.08569	25.7
133.06503	3.2
133.10141	23.3
135.08051	3.9
135.11725	14.1
137.09679	2.1
143.08546	7.6
145.06529	2.5
145.10133	21.2
147.08035	4.7
147.11696	17.0
149.09662	5.9
149.13234	7.4
153.09050	2.3
155.08542	3.0
157.10139	9.4
159.11714	13.6
161.09549	3.0
161.13283	8.0
167.08524	2.2
169.10130	4.9
171.10239	3.0
171.11736	5.5
173.13297	7.0
175.11214	6.9
175.14857	4.4
181.10092	1.8
183.11751	4.6
185.13188	4.9
187.11162	2.4
187.14865	6.3
189.11322	4.8
189.16435	2.2
193.12219	19.8
197.13417	3.0
199.14871	4.6
201.16396	3.7
211.13268	21.4
211.15062	2.5
213.16406	3.0
227.12747	10.6
227.17885	3.0
243.21118	2.9
256.47794	2.0
261.22202	8.7
267.15909	18.0
283.24069	2.9
285.22189	3.2
287.20258	2.9
289.21530	2.7
301.25229	17.6
303.23209	2.9
305.21335	2.0
317.24585	3.9
335.25809	12.3
359.25763	2.6
421.26212	5.2
435.32520	9.1
453.33411	8.9
471.34692	8.6
527.37317	49.9
545.38379	100.0
552.79297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01862	6.4
55.05509	28.4
57.03428	7.3
65.03918	2.1
67.05501	50.8
68.31680	1.8
69.03432	2.1
69.07062	16.2
70.75041	2.9
71.04970	2.0
75.79189	1.6
79.05024	1.9
79.05489	39.1
81.03423	20.6
81.07056	50.6
83.05002	3.3
83.08624	20.5
85.06546	2.9
91.05481	33.8
93.07039	34.8
95.04967	15.5
95.08601	34.4
97.02860	1.8
97.06529	2.6
97.10181	19.1
105.07036	25.2
107.04964	5.9
107.08583	23.7
109.06503	4.9
109.10155	21.3
111.08080	2.9
117.07023	14.2
118.33459	1.7
119.08577	25.0
121.06499	7.1
121.10153	13.3
123.08094	3.4
123.11697	7.1
125.09647	18.0
129.07001	7.4
131.08575	19.0
133.06511	2.6
133.10123	20.4
135.08064	6.1
135.11662	10.2
137.09637	2.1
137.13214	2.7
137.65762	1.6
141.07047	2.0
143.08568	5.1
145.10115	14.8
147.08054	3.2
147.11690	12.3
149.09625	3.5
149.13280	4.6
151.11177	1.9
155.08524	2.2
157.10138	8.1
159.08092	2.5
159.11646	12.3
161.09608	2.4
161.13312	6.7
163.11195	2.2
163.14857	2.1
169.10138	4.6
171.10286	2.8
171.11703	5.9
173.09595	2.0
173.13289	8.2
175.11243	2.9
175.14819	6.0
181.10121	2.8
183.11644	3.5
185.13319	4.2
187.11098	2.3
187.14835	4.6
189.11229	7.7
189.12729	2.0
193.12238	8.3
195.11729	2.8
197.13359	3.3
199.14729	4.2
201.12602	2.1
201.16371	2.4
215.14270	1.8
227.12674	12.1
243.21082	2.7
247.16965	3.0
261.22165	15.1
267.15906	22.8
271.20428	2.0
279.23254	3.0
284.67587	2.0
285.22186	2.6
299.23660	2.9
301.25253	18.3
303.23331	2.6
317.24582	2.2
329.21201	2.1
335.25723	16.4
359.25882	2.5
403.25537	2.2
417.31647	3.0
421.25436	2.6
435.27649	2.5
435.32425	9.3
453.33835	13.7
471.34604	10.7
509.36255	2.6
527.37238	59.9
545.38361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1995
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
54.49160	0.4
55.05498	0.4
56.05029	0.6
59.04982	0.6
60.04518	0.4
60.08179	0.4
69.03436	0.4
69.07094	0.4
69.33266	0.3
69.33570	2.9
70.06602	2.6
71.06931	0.3
72.08143	1.3
73.02916	0.4
74.06096	0.4
78.62384	0.3
81.07067	0.6
84.04504	0.5
84.08167	1.7
85.02900	0.6
86.09708	4.4
87.00832	0.3
87.04469	0.6
89.06016	0.9
91.05471	0.5
94.06542	0.4
97.02866	0.5
100.08896	0.3
103.03948	1.2
104.10751	3.0
105.11084	0.6
105.88882	0.3
109.10130	0.4
110.07177	0.5
120.08115	0.4
125.00021	1.1
127.03898	0.4
129.10275	0.6
133.08600	1.3
136.07608	0.4
143.03394	0.5
184.07341	3.2
185.07587	0.8
203.05264	0.5
217.08606	0.4
285.14560	0.4
298.04639	0.4
325.23361	0.4
365.13541	0.6
383.14886	0.6
383.24106	0.6
527.31427	0.4
545.19934	100.0
546.20453	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	545.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
55.75693	0.6
57.03440	10.6
68.99786	5.9
70.02961	6.4
70.06583	2.2
71.01353	1.3
71.49259	0.9
72.08162	0.7
73.02915	1.6
74.02430	1.1
75.04489	8.0
81.51010	0.6
83.66015	0.5
84.04476	0.6
84.08163	0.8
85.02914	4.5
86.02433	1.4
86.09711	2.9
87.00836	11.2
88.03999	18.7
93.05489	0.8
94.06579	19.4
95.01320	2.8
96.00850	0.9
97.02906	1.2
99.00830	2.4
103.02901	0.7
104.03468	5.8
104.04967	1.2
109.02818	0.7
112.03990	0.7
113.02376	2.5
116.03492	0.7
118.06554	2.6
118.07388	0.5
120.04491	5.5
132.04417	3.3
132.07024	0.5
132.08090	0.7
135.04398	0.6
136.07578	1.7
138.01839	0.9
141.01805	3.0
143.03406	100.0
144.06865	0.6
144.08110	2.3
146.06018	50.7
150.05495	1.6
156.02924	2.1
158.06007	1.1
160.06073	9.9
160.07373	1.1
162.05505	0.6
163.03868	0.7
163.08636	2.0
170.06015	1.6
174.04047	1.2
174.05508	17.0
175.12407	0.6
185.04562	0.8
186.07686	1.1
188.07059	0.8
191.11905	0.8
192.06577	3.0
198.05525	0.8
203.03325	0.6
209.09232	1.2
212.05502	0.7
216.06602	0.9
222.59492	0.6
230.06621	6.7
258.06143	8.9
259.07169	4.5
276.07217	0.6
277.08224	1.7
311.05481	7.0
312.44208	0.6
319.06625	6.5
323.05524	1.7
332.07526	0.7
333.10782	7.8
337.07260	1.2
341.06610	5.0
351.11899	27.0
365.06509	1.5
369.12952	16.4
393.12601	0.6
407.07306	0.8
425.08682	3.0
443.09631	4.4
481.31976	0.6
528.18500	0.7
545.31952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.03473	1.1
55.05508	0.8
60.04522	0.6
66.81333	0.6
67.05496	0.8
68.99779	0.7
69.03440	1.5
69.07072	1.2
70.06594	100.0
71.06946	0.9
71.49088	0.6
71.49524	1.3
72.08158	4.9
74.06096	0.8
81.03417	1.9
81.07055	1.7
82.06613	0.7
83.04993	0.7
84.04508	2.7
84.08147	4.9
85.02926	1.9
86.09705	7.9
89.03925	1.4
91.05502	1.4
93.07071	1.6
95.04951	1.5
95.08619	1.0
97.02902	1.1
104.10755	1.1
107.04981	2.0
107.08621	0.7
109.02878	1.9
109.10225	1.0
110.07202	1.4
117.03388	4.8
119.04938	0.8
120.08139	2.9
121.10060	0.7
121.67642	0.6
123.04469	1.2
127.03936	1.0
129.10287	3.0
132.04482	1.5
133.10103	0.7
135.04482	1.9
136.07576	1.0
137.02342	5.9
138.19574	0.7
141.79204	0.7
145.02856	12.0
147.04407	1.6
149.06024	2.0
162.05513	5.0
163.03978	0.8
177.05467	22.5
178.04991	16.9
178.06471	1.2
184.07407	1.4
187.10945	0.7
190.04958	3.8
191.03473	1.5
194.24161	0.7
201.05441	1.1
203.03395	12.0
203.05176	0.9
206.04492	22.1
217.05005	1.6
221.04532	3.0
229.05048	1.3
243.06644	2.3
267.06326	0.7
295.06079	1.9
297.07776	0.9
307.05984	0.8
311.05688	2.4
313.07132	0.9
316.08139	1.6
321.09882	2.3
323.05634	3.3
324.06274	3.5
325.07043	22.1
334.09171	1.0
335.09451	1.2
337.07043	39.8
338.07922	6.0
339.08868	2.4
349.07330	2.4
351.05069	1.0
351.08655	3.8
355.08093	10.5
362.07922	1.1
363.08621	3.6
365.06516	0.8
365.10373	4.5
367.08109	17.6
367.12796	1.0
377.10138	5.4
379.08136	6.1
385.09320	1.1
391.08078	9.3
393.10004	1.2
397.09448	1.9
405.09857	1.2
409.09344	3.6
421.09158	6.8
424.14026	5.6
433.09180	6.1
439.10321	8.3
451.10361	8.3
454.15063	1.4
457.11328	27.1
469.11356	13.5
475.12363	17.7
487.12354	8.3
526.17163	14.3
544.18378	48.3
544.24872	9.4
545.25824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.03473	1.1
55.05508	0.8
60.04522	0.6
66.81333	0.6
67.05496	0.8
68.99779	0.7
69.03440	1.5
69.07072	1.2
70.06594	100.0
71.06946	0.9
71.49088	0.6
71.49524	1.3
72.08158	4.9
74.06096	0.8
81.03417	1.9
81.07055	1.7
82.06613	0.7
83.04993	0.7
84.04508	2.7
84.08147	4.9
85.02926	1.9
86.09705	7.9
89.03925	1.4
91.05502	1.4
93.07071	1.6
95.04951	1.5
95.08619	1.0
97.02902	1.1
104.10755	1.1
107.04981	2.0
107.08621	0.7
109.02878	1.9
109.10225	1.0
110.07202	1.4
117.03388	4.8
119.04938	0.8
120.08139	2.9
121.10060	0.7
121.67642	0.6
123.04469	1.2
127.03936	1.0
129.10287	3.0
132.04482	1.5
133.10103	0.7
135.04482	1.9
136.07576	1.0
137.02342	5.9
138.19574	0.7
141.79204	0.7
145.02856	12.0
147.04407	1.6
149.06024	2.0
162.05513	5.0
163.03978	0.8
177.05467	22.5
178.04991	16.9
178.06471	1.2
184.07407	1.4
187.10945	0.7
190.04958	3.8
191.03473	1.5
194.24161	0.7
201.05441	1.1
203.03395	12.0
203.05176	0.9
206.04492	22.1
217.05005	1.6
221.04532	3.0
229.05048	1.3
243.06644	2.3
267.06326	0.7
295.06079	1.9
297.07776	0.9
307.05984	0.8
311.05688	2.4
313.07132	0.9
316.08139	1.6
321.09882	2.3
323.05634	3.3
324.06274	3.5
325.07043	22.1
334.09171	1.0
335.09451	1.2
337.07043	39.8
338.07922	6.0
339.08868	2.4
349.07330	2.4
351.05069	1.0
351.08655	3.8
355.08093	10.5
362.07922	1.1
363.08621	3.6
365.06516	0.8
365.10373	4.5
367.08109	17.6
367.12796	1.0
377.10138	5.4
379.08136	6.1
385.09320	1.1
391.08078	9.3
393.10004	1.2
397.09448	1.9
405.09857	1.2
409.09344	3.6
421.09158	6.8
424.14026	5.6
433.09180	6.1
439.10321	8.3
451.10361	8.3
454.15063	1.4
457.11328	27.1
469.11356	13.5
475.12363	17.7
487.12354	8.3
526.17163	14.3
544.18378	48.3
544.24872	9.4
545.25824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.9
54.00710	1.0
55.01862	3.8
55.05271	1.2
55.05514	16.3
57.03423	3.4
57.07064	2.9
59.66283	0.8
65.03930	3.4
67.05507	39.7
69.03420	1.8
69.07063	11.9
70.67422	2.8
71.04982	3.1
71.08632	1.8
73.02911	1.0
77.03897	1.3
79.05497	49.0
81.03418	2.5
81.07059	42.2
83.04977	5.5
83.08619	7.5
88.28431	1.0
91.05483	27.6
91.46192	0.9
93.07045	57.1
95.04981	8.1
95.08609	46.4
97.02894	2.9
97.06535	4.6
97.10181	2.1
99.04454	3.5
105.04519	2.2
105.07030	21.6
107.04955	7.9
107.08599	39.0
109.06519	2.9
109.10152	7.4
111.04438	1.3
111.08093	1.4
111.56570	0.9
113.06010	1.2
115.05511	1.4
117.07014	13.7
119.08585	18.1
121.06527	5.6
121.10145	21.7
121.87251	0.9
123.08056	1.3
123.11722	1.5
125.05974	1.5
128.06294	1.1
129.07014	1.7
130.07776	3.0
131.08571	8.1
133.10132	9.3
135.08069	3.0
135.11697	45.8
139.07559	1.4
143.08553	2.3
145.10129	27.9
147.11719	4.2
149.09633	2.0
149.13289	3.6
155.08534	1.2
159.11662	3.1
161.13252	2.4
163.11185	54.7
171.11691	1.2
173.13266	3.3
181.12207	11.2
187.14836	1.1
209.11792	3.6
227.12791	100.0
243.21118	2.0
261.22180	9.6
263.23987	0.9
273.18668	1.1
275.20151	4.2
317.24872	1.4
317.81619	0.9
515.37286	1.1
543.36816	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	543.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.7
58.09499	0.7
65.11467	0.8
70.06563	1.0
70.08405	1.4
70.08797	2.1
74.02414	0.9
78.40201	0.8
79.02592	0.9
82.95863	0.8
87.66311	0.7
89.03907	1.4
92.73641	0.9
109.21049	0.8
115.05457	1.1
117.03408	0.9
117.07018	1.9
118.06555	18.7
123.04436	1.0
130.06537	1.3
132.08093	4.3
135.04393	2.6
142.06494	2.5
143.07253	2.0
144.08101	14.3
145.02846	1.4
146.06015	56.5
147.04395	1.1
159.09195	7.1
163.03893	8.1
170.05984	3.4
188.07074	100.0
189.07420	1.4
205.09732	39.5
218.99634	1.1
237.00711	2.6
273.02878	0.9
411.06232	1.2
476.71686	0.9
495.99860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.9
54.00710	1.0
55.01862	3.8
55.05271	1.2
55.05514	16.3
57.03423	3.4
57.07064	2.9
59.66283	0.8
65.03930	3.4
67.05507	39.7
69.03420	1.8
69.07063	11.9
70.67422	2.8
71.04982	3.1
71.08632	1.8
73.02911	1.0
77.03897	1.3
79.05497	49.0
81.03418	2.5
81.07059	42.2
83.04977	5.5
83.08619	7.5
88.28431	1.0
91.05483	27.6
91.46192	0.9
93.07045	57.1
95.04981	8.1
95.08609	46.4
97.02894	2.9
97.06535	4.6
97.10181	2.1
99.04454	3.5
105.04519	2.2
105.07030	21.6
107.04955	7.9
107.08599	39.0
109.06519	2.9
109.10152	7.4
111.04438	1.3
111.08093	1.4
111.56570	0.9
113.06010	1.2
115.05511	1.4
117.07014	13.7
119.08585	18.1
121.06527	5.6
121.10145	21.7
121.87251	0.9
123.08056	1.3
123.11722	1.5
125.05974	1.5
128.06294	1.1
129.07014	1.7
130.07776	3.0
131.08571	8.1
133.10132	9.3
135.08069	3.0
135.11697	45.8
139.07559	1.4
143.08553	2.3
145.10129	27.9
147.11719	4.2
149.09633	2.0
149.13289	3.6
155.08534	1.2
159.11662	3.1
161.13252	2.4
163.11185	54.7
171.11691	1.2
173.13266	3.3
181.12207	11.2
187.14836	1.1
209.11792	3.6
227.12791	100.0
243.21118	2.0
261.22180	9.6
263.23987	0.9
273.18668	1.1
275.20151	4.2
317.24872	1.4
317.81619	0.9
515.37286	1.1
543.36816	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	541.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05516	14.2
57.07071	23.6
58.06581	2.7
58.07401	2.2
58.27930	2.2
59.04998	2.4
61.38025	2.0
65.03942	4.0
67.05509	23.7
69.07067	38.0
69.45085	15.4
70.06590	15.1
71.06909	2.3
71.08628	12.9
73.02922	2.1
76.71778	1.8
78.14278	1.8
79.05479	17.3
81.07057	83.1
83.08624	14.8
85.10180	3.3
88.07629	23.6
89.06024	4.6
89.07984	3.2
91.05443	13.7
91.55280	1.9
93.07044	33.3
95.05003	2.2
95.08611	52.9
97.10159	6.8
102.09163	12.9
105.07030	25.9
107.08599	40.9
109.06547	2.0
109.10155	41.3
111.11758	2.6
117.07016	3.4
119.08575	31.4
121.10146	30.2
123.11697	17.9
128.06126	2.4
129.07056	5.5
131.08591	10.2
133.08604	4.8
133.10139	20.5
135.11684	20.0
137.13266	8.5
143.08559	6.6
145.10132	15.9
147.11681	21.8
149.13242	12.7
150.53110	2.4
155.08545	2.2
157.10147	13.0
159.11690	21.8
161.13257	13.7
163.14864	9.8
169.10127	6.4
171.11646	13.3
173.13243	15.1
175.14822	16.7
177.16306	4.2
183.11696	7.3
185.13255	12.0
187.14819	10.0
189.16391	5.8
195.11674	3.0
196.12486	2.5
197.13245	6.7
199.14832	7.2
201.16382	12.3
203.17949	5.6
211.14818	6.9
213.16415	8.0
215.17975	6.8
223.14874	2.3
225.16365	3.3
227.18008	5.3
229.19539	5.8
237.16423	2.3
239.17978	5.4
241.19617	3.1
243.21246	3.0
253.19434	2.5
255.21135	4.6
256.26358	24.3
257.22610	3.8
257.26706	19.9
265.19470	2.5
267.21136	3.7
269.22565	4.3
274.27545	3.6
275.27847	3.0
281.22556	3.7
283.23752	2.5
283.26660	3.7
284.26572	7.6
284.29581	6.8
285.29892	5.7
293.22607	3.3
311.29504	16.5
312.29800	22.4
321.25482	2.2
337.28912	2.6
363.30603	2.2
365.31818	2.5
459.40298	2.5
525.51453	2.2
541.12335	4.6
541.47272	50.3
541.53870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.05503	16.3
55.74667	1.8
57.07076	23.1
67.05505	32.7
69.07069	51.5
70.06611	11.2
71.08640	13.0
71.50401	3.6
79.05490	18.6
81.07057	100.0
83.08627	17.6
85.10172	4.3
88.07631	17.0
89.06019	6.5
89.07972	2.1
91.05480	18.7
93.07042	43.1
95.04929	2.5
95.08604	57.9
97.10153	5.8
102.09161	12.0
105.07035	35.3
107.08604	43.5
109.10158	50.3
111.11708	4.6
117.06989	3.9
119.08579	36.7
121.10146	34.9
123.11703	20.3
129.06975	4.3
131.08580	11.5
133.08618	3.4
133.10127	21.8
135.11671	23.4
137.13263	6.6
141.07018	3.3
143.08569	8.8
144.09314	2.5
145.10158	19.4
147.11691	23.9
149.13255	16.9
151.14775	2.5
155.08531	3.8
157.10138	13.4
159.11713	26.8
161.13251	15.8
163.14825	10.1
169.10147	8.7
169.72551	2.3
170.10875	4.3
171.11659	13.3
173.13303	17.4
175.14879	11.4
177.16405	6.6
183.11702	8.6
185.13304	10.6
187.14806	10.7
189.16386	8.6
195.11739	4.3
197.13223	8.9
199.14896	11.5
201.16359	12.8
203.17973	7.6
205.44090	2.2
209.13275	7.4
211.14856	7.9
213.16408	11.1
215.17972	6.8
217.19388	4.0
223.14847	5.7
225.16463	7.2
227.17883	9.3
229.19548	5.6
231.21147	3.2
239.17987	5.4
241.19527	2.6
243.21071	2.5
245.22623	3.1
251.17911	2.3
255.21164	6.4
256.26331	21.1
257.22586	4.4
257.26678	18.0
265.19501	2.8
267.21051	5.1
269.22644	7.2
271.24185	4.6
281.22577	5.1
283.26431	5.5
284.26651	5.2
285.25809	2.3
285.29861	6.6
291.20941	2.8
293.22653	2.6
295.24402	2.9
297.25757	2.9
299.27414	2.8
311.29437	14.3
312.29822	21.8
321.25818	3.7
323.27307	3.8
330.17511	2.5
335.26993	3.1
337.28616	2.3
389.32071	2.7
391.33432	4.6
403.33865	3.4
405.02722	2.8
431.36469	2.9
459.39905	2.3
541.47308	68.9
541.53925	98.8
542.47510	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	541.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69628	1.6
54.76723	1.9
55.05504	11.0
57.07074	17.8
58.07400	2.1
59.05009	2.5
67.05507	21.8
69.07072	35.0
70.06588	13.8
71.08640	11.0
71.14683	3.4
73.02908	2.6
79.05495	14.3
81.07056	65.4
83.08620	12.2
85.10183	2.8
88.07624	18.5
89.06030	4.3
89.07951	2.7
91.05479	9.7
92.82780	2.0
93.07045	28.4
95.04933	2.4
95.08606	43.4
97.10190	4.6
102.09181	12.0
103.09511	2.7
105.07034	27.3
105.66272	1.6
106.08621	2.1
107.08598	34.7
109.10152	36.4
111.11748	2.2
117.07008	2.8
119.08591	20.4
121.10148	27.5
123.11732	14.3
127.17444	1.6
129.06998	2.6
131.08580	9.7
133.08600	3.5
133.10139	15.1
135.11696	16.7
137.13252	5.7
142.07759	2.5
143.08551	7.0
145.10109	15.7
147.11710	16.4
149.13283	12.3
154.53171	1.7
155.08542	3.3
157.10126	12.6
159.11694	18.0
161.13248	12.6
163.14864	4.3
169.10104	5.2
170.10873	2.3
171.11662	10.4
172.12680	2.1
173.13263	13.9
175.14838	10.1
177.16379	3.7
183.11699	7.2
185.13248	8.6
187.14836	6.7
189.16360	4.9
191.17902	2.7
195.11714	3.9
197.13255	7.3
199.14871	10.8
201.16359	8.0
203.17905	3.9
209.13272	2.8
211.14757	6.2
213.16380	5.8
215.17998	5.3
223.14769	3.7
225.16351	6.5
227.18013	4.9
229.19510	4.4
237.16408	2.3
239.17947	3.8
241.19524	6.0
243.21007	2.2
251.17911	2.6
253.19528	4.0
255.21060	3.5
256.26328	21.3
257.22617	3.6
257.26706	14.2
265.19556	3.1
267.21008	3.6
269.22556	2.8
275.27805	2.6
279.21051	2.4
281.22589	5.0
283.26392	5.8
284.26666	4.9
284.29590	2.5
285.29791	5.8
293.22629	2.1
309.25818	2.4
311.29459	15.5
312.29782	22.2
323.27371	2.7
349.28891	3.9
363.30121	2.1
391.33380	3.1
401.91595	2.1
417.35220	2.9
431.36688	2.6
459.39899	4.4
485.41147	4.7
541.47253	44.8
541.53870	100.0
542.47119	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	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.9
51.02367	3.1
53.03949	10.6
55.01857	2.3
55.05511	27.3
57.03425	3.5
57.07063	3.4
59.04985	1.4
63.03235	1.0
65.03948	7.1
67.05502	77.6
69.03420	1.4
69.06683	1.0
69.07066	18.1
70.06558	1.0
71.04971	3.7
71.08608	1.0
73.06552	1.9
77.03915	2.1
79.05492	100.0
81.03416	8.1
81.07055	65.5
81.07452	1.0
83.04974	12.5
83.08627	8.2
85.06536	3.0
91.05480	70.6
92.73797	1.0
93.07043	86.6
95.04966	21.2
95.08607	45.8
95.09071	0.7
97.06517	5.6
97.10165	3.8
98.20713	1.7
98.21392	3.8
103.05430	1.3
105.04504	4.8
105.07028	48.3
107.04950	5.9
107.08594	31.9
109.06540	6.0
109.10154	12.8
111.08060	1.6
115.05524	1.2
117.07021	15.9
119.08582	27.9
121.06509	2.1
121.10139	21.7
123.08036	4.5
123.11730	1.8
127.07524	1.7
128.06226	3.7
129.07005	14.2
131.08563	14.6
133.10127	15.0
135.11688	11.3
137.09579	1.3
138.25191	0.9
141.06955	1.7
141.09180	1.0
143.08560	10.5
145.10117	15.9
147.08017	2.8
147.11684	32.6
149.13272	3.8
155.08543	3.2
156.09380	2.1
157.10121	5.0
159.11702	4.9
160.99344	0.9
161.09621	3.8
161.13255	13.0
163.14774	1.1
169.10149	2.7
171.11682	26.3
173.13205	4.3
175.14857	1.4
181.10143	2.2
183.11740	1.6
185.13269	2.2
187.14850	1.5
189.12755	8.8
197.13335	1.8
199.14841	1.4
207.13786	26.5
211.14893	1.7
225.14865	2.0
230.23070	1.1
237.87903	1.1
243.21036	1.1
261.22174	4.5
281.17517	2.5
298.89209	1.0
309.21881	1.0
311.29572	1.8
312.29559	1.8
317.24756	1.0
335.25787	1.1
449.34109	3.1
467.35550	2.5
485.36240	1.4
523.38177	1.8
541.38904	81.7
541.53571	5.0
542.39252	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.7
53.03942	8.7
55.01866	3.4
55.05509	26.9
57.03429	3.0
57.07070	7.1
59.05001	1.9
60.49528	1.0
62.30185	0.9
62.87049	0.8
65.03938	5.9
67.05503	73.3
69.03423	2.4
69.07066	19.2
70.06590	2.9
71.04984	2.5
71.08623	5.8
73.06536	1.1
77.03937	2.2
79.05492	100.0
81.03416	8.7
81.07056	70.6
81.07759	1.1
83.04984	11.0
83.08614	9.7
85.06531	2.6
85.10181	3.1
88.07649	4.3
91.05479	70.7
91.85672	0.8
93.07041	87.4
95.04968	17.7
95.08605	43.9
97.02850	1.4
97.06510	4.9
97.10166	4.4
99.08105	1.1
102.09192	2.5
103.05473	1.9
105.04557	4.2
105.07030	44.0
107.04955	6.1
107.08598	30.7
109.06518	6.1
109.10153	13.5
111.08107	2.4
115.05426	1.9
117.07016	14.6
119.08581	34.0
121.06503	2.6
121.10145	22.3
123.08053	5.3
123.11707	3.2
127.07581	1.6
128.06226	4.7
129.07010	19.1
130.07787	1.5
131.08562	12.5
133.06532	1.6
133.10126	16.3
135.11684	10.4
137.09544	0.8
141.06995	2.0
141.09077	1.0
142.07767	0.9
143.08560	11.1
145.10110	12.9
147.08067	1.6
147.11693	33.6
149.13220	4.9
151.11276	1.0
155.08546	2.4
156.09430	1.6
157.10152	5.1
157.11371	0.8
159.11716	6.6
161.09601	4.3
161.13255	13.0
163.14786	1.1
169.10179	3.5
171.11694	25.0
173.13289	4.9
175.14853	1.3
179.14290	0.8
181.10178	1.8
183.11705	3.3
185.13298	3.3
187.14851	2.1
189.12737	10.7
189.14256	1.1
194.63408	0.9
195.11684	1.1
197.13280	1.5
199.14949	1.9
207.13794	26.4
209.13332	0.9
211.14743	1.7
225.14847	2.4
243.21091	1.7
256.26373	4.5
257.26776	3.2
261.22144	5.4
281.17496	1.7
283.26416	1.5
284.26553	0.9
311.29401	4.2
312.29880	4.4
317.09479	0.8
317.24780	1.7
347.42654	0.8
431.33060	1.9
449.34518	4.0
467.35324	2.4
485.36392	1.5
523.37689	3.0
523.45288	1.1
540.53461	4.7
541.38922	92.5
541.53174	19.7
542.39380	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	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.1
50.87792	0.7
51.02374	2.3
51.23395	0.7
53.03944	10.1
55.01860	3.3
55.05511	25.2
57.03420	2.3
57.07081	6.5
65.03942	7.0
67.05504	86.3
69.03423	1.6
69.07068	19.6
70.06585	2.6
71.04988	3.1
71.08617	3.5
71.93652	0.7
77.03930	2.4
79.05492	100.0
81.03411	6.4
81.07054	70.9
83.04984	11.3
83.08612	10.0
85.02911	0.9
85.06544	3.9
85.10189	1.2
88.07639	5.2
91.05480	69.0
92.96277	0.8
93.07041	91.4
95.04965	17.6
95.08605	46.0
97.06522	4.9
97.10179	4.9
99.08076	1.5
102.09196	2.5
102.97525	0.8
103.05445	1.7
105.04527	4.7
105.07031	49.8
107.04957	3.2
107.08596	31.5
109.06510	5.6
109.10152	12.6
111.08098	2.2
115.05440	1.4
116.06216	0.7
117.07009	15.3
119.08575	28.3
121.06474	2.9
121.10141	21.1
123.07323	0.8
123.08071	5.2
123.11692	2.9
125.09647	0.9
127.07538	1.6
128.06238	3.9
128.37239	0.8
129.07010	14.4
129.72432	0.7
130.07814	1.0
130.94899	0.8
131.08571	12.7
133.10124	15.0
135.08081	1.5
135.11687	11.5
137.13284	1.3
141.06937	1.8
141.09117	1.2
143.08560	9.1
145.10121	14.3
147.08035	1.3
147.11688	34.4
149.09666	1.0
149.13260	5.1
155.08580	2.0
157.10124	2.9
159.11699	6.4
161.09663	2.7
161.13260	12.1
163.14851	1.4
167.08530	1.1
169.10147	3.7
171.11688	25.5
171.13145	1.7
173.13248	5.5
175.14856	2.3
179.30737	0.9
181.10132	0.9
183.11690	3.3
185.13220	1.6
187.14810	2.1
189.12752	8.0
197.13298	1.3
199.14925	1.3
207.13803	30.6
211.14899	1.0
213.16408	1.0
225.14792	5.2
226.55070	1.0
243.21140	1.6
256.26401	4.9
257.26633	2.2
259.20728	0.8
261.22089	5.5
279.15701	0.8
281.17517	2.7
283.26279	1.3
284.26584	1.1
284.29550	2.0
311.29355	4.3
312.29816	3.6
317.24802	1.7
375.10760	0.8
407.18335	0.8
431.33200	1.8
449.34137	2.5
467.35217	2.3
472.19778	1.1
485.36469	1.3
523.37866	1.9
540.53387	5.3
541.38922	87.9
541.53363	22.2
542.39032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.6
55.99099	2.0
56.20510	1.9
56.78117	2.2
57.07074	9.4
58.06590	8.0
67.05503	24.2
69.03439	4.6
69.07063	8.9
70.06586	13.7
71.04971	3.1
71.49844	2.7
72.08146	4.6
79.05499	8.7
81.03456	2.5
81.07053	36.2
83.04988	3.0
83.08606	4.2
84.08145	7.5
85.02908	7.5
85.06541	80.8
86.09726	9.9
86.12185	2.0
87.05585	3.8
91.05484	9.7
93.07041	24.3
95.08611	22.4
97.06562	2.1
99.08084	4.8
105.07030	14.1
107.08595	16.5
109.10159	23.1
111.08061	4.3
111.11676	2.2
113.09657	2.2
119.08647	5.3
120.08124	7.4
121.10158	22.3
123.11715	11.0
125.09653	5.0
129.10277	3.3
131.08571	2.6
133.10172	5.5
135.11707	15.9
136.07610	4.4
137.13254	2.8
139.11182	5.3
147.11697	8.7
149.13254	12.3
153.12730	2.6
163.14801	3.2
165.12691	3.9
171.13846	2.8
175.14827	4.6
183.13857	3.5
184.07391	3.5
189.16449	4.7
191.18027	3.5
203.18066	2.4
220.10646	2.9
271.24316	2.6
277.25427	4.6
289.25275	11.0
295.26416	7.4
307.26172	18.4
313.27228	14.1
325.27374	23.6
326.77914	2.2
341.30991	2.5
343.28372	20.0
361.29462	4.7
461.75037	2.3
521.45831	2.0
526.94373	2.3
541.26373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03946	10.7
55.01871	12.3
55.05514	21.0
57.03431	2.2
57.07051	1.6
57.27774	0.9
58.82222	1.0
65.03938	4.7
67.05505	52.5
69.03437	4.8
69.07068	34.0
70.55910	3.0
71.04958	2.7
71.28713	0.9
77.03920	1.3
79.05495	48.8
80.69535	0.9
81.03419	100.0
81.07059	54.7
81.07473	1.0
82.07369	1.0
83.04985	10.7
83.08620	19.8
85.06559	2.9
90.43621	1.2
91.05482	71.4
93.07043	43.9
93.07642	1.5
95.01330	13.9
95.04967	32.3
95.08604	33.9
97.02880	2.5
97.06535	16.6
97.10164	4.0
99.08083	2.0
103.05467	2.9
105.04530	3.3
105.07032	77.5
107.04958	29.8
107.08590	19.2
109.06539	6.5
109.10175	9.8
111.04454	2.3
111.08095	6.5
115.05473	2.8
115.68854	0.9
116.06251	1.1
117.07017	18.3
119.04895	1.8
119.08582	46.3
121.06535	6.4
121.10140	11.1
123.04435	3.0
123.08042	5.3
123.11689	2.5
125.09613	2.2
128.06239	1.3
129.07011	16.2
130.07794	1.5
131.04991	1.1
131.08568	31.0
133.06479	4.6
133.10130	39.6
135.08035	5.9
135.11691	7.1
137.09619	5.1
139.07535	1.4
141.07002	2.3
142.07768	2.9
143.08569	6.1
145.06512	3.1
145.10123	18.4
147.08029	5.3
147.11691	23.0
149.09624	11.6
149.13264	3.0
151.11157	2.8
155.08549	3.1
157.10136	12.1
159.11703	14.8
161.09659	1.5
161.13248	6.8
163.11209	4.7
163.79979	1.0
165.09116	3.2
165.12831	1.5
169.10190	4.3
171.11734	4.7
173.13312	3.5
175.11186	7.2
175.14905	2.0
176.68333	1.0
177.12720	5.6
179.10811	1.4
179.14322	17.1
183.11716	2.9
184.07372	1.2
185.13235	2.0
187.11156	5.1
187.14877	1.6
193.12239	14.9
195.13741	1.6
197.13344	2.7
199.11266	1.4
201.12877	1.4
205.12338	3.0
219.13748	1.7
219.17444	2.2
223.13217	2.0
229.19553	3.0
233.15294	1.5
239.17995	2.8
241.14336	1.4
247.20624	3.1
249.14964	3.1
257.19019	7.7
267.15991	2.5
275.20068	92.6
276.20593	1.7
278.77371	1.0
293.21207	8.6
313.62784	1.1
343.46298	1.0
349.23727	2.3
371.45679	1.0
420.12961	1.1
523.34119	1.5
541.35266	52.5
542.35529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05509	4.2
57.03442	1.4
57.07075	35.3
58.06591	2.1
59.04999	13.5
59.05286	0.8
67.05497	5.8
69.07071	5.1
70.06592	15.8
71.04988	0.8
71.08630	20.6
73.02911	2.1
79.05507	2.9
80.58407	0.5
81.07049	5.8
83.04977	0.6
83.08623	3.6
85.10182	15.0
87.04462	2.2
88.07626	18.2
89.06027	39.4
91.05477	1.8
93.07035	3.0
95.08597	5.8
97.10171	2.0
99.11727	2.0
101.06013	0.6
101.09655	2.4
102.09177	14.5
103.07545	0.7
105.07046	1.6
106.08662	0.7
107.08621	0.7
109.10146	2.5
111.11694	0.9
113.13223	0.7
117.06996	0.7
117.09127	3.0
119.08557	1.1
121.10133	1.4
123.11723	1.0
130.08653	0.7
133.08604	20.6
133.10147	1.1
147.11681	1.3
155.18019	1.1
177.11249	7.4
195.12300	2.0
213.22121	1.4
221.13834	1.3
235.15431	0.7
239.14909	1.3
253.16428	1.0
256.26346	36.2
263.65317	0.6
271.26437	1.7
274.27420	3.3
283.17514	0.9
283.26321	11.5
284.29483	10.2
302.30533	0.9
311.29437	36.4
327.20078	13.2
327.23926	0.8
384.36871	0.7
540.53491	100.0
541.39099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02431	0.4
54.94289	0.4
55.05513	3.2
57.03446	0.7
57.07078	53.0
58.06590	1.5
59.05003	9.7
67.05515	3.1
67.36574	0.4
69.07070	4.0
69.40364	3.1
70.06592	12.6
71.08634	42.8
72.08154	0.5
72.08948	0.5
73.02920	24.3
73.06541	0.5
79.05490	2.0
81.07063	3.5
83.04986	0.4
83.08624	2.8
85.10185	29.1
87.04458	1.3
88.07633	17.9
89.06031	8.9
91.05486	1.7
93.07051	1.7
95.04967	0.5
95.08610	3.9
97.10168	2.5
99.11731	4.6
101.06031	0.5
102.09187	13.0
103.07555	2.2
105.07054	1.2
106.08685	0.5
107.08624	1.0
109.10161	1.3
113.13287	1.8
117.07031	1.3
117.09152	1.2
121.10144	0.9
123.11752	0.7
127.14822	0.5
129.06998	0.4
129.49780	0.4
131.08572	1.2
133.08609	5.7
133.10066	0.6
136.12012	0.5
141.16371	1.0
145.10139	0.6
155.17934	2.5
159.11710	1.3
160.11937	0.7
160.77480	0.4
161.08141	0.8
177.11237	2.9
185.19044	1.2
199.20673	0.7
205.10764	3.6
213.22108	3.2
239.14865	0.6
243.23260	2.4
249.13359	0.5
255.75610	0.4
256.26364	35.7
257.24722	0.8
274.27399	3.1
283.17572	5.7
283.26373	10.5
284.29489	9.0
284.32394	0.8
302.30731	0.8
311.17233	0.9
311.29453	34.2
540.53522	100.0
541.53949	1.2
559.02319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77428	0.9
54.34941	0.9
57.03428	1.2
61.02913	1.0
64.22497	0.9
69.03419	2.9
69.31821	8.3
70.06562	2.9
72.08136	1.4
73.02913	1.2
81.03432	1.4
84.08120	2.0
85.02908	8.4
86.09685	3.8
91.03910	0.9
91.05476	8.4
91.50614	0.8
91.82482	0.9
95.04967	2.5
95.08607	1.1
97.02885	2.3
98.20784	1.4
99.04434	2.8
103.05453	1.0
104.10729	1.2
104.54574	0.9
105.07042	1.4
107.04923	2.5
109.02888	1.6
109.06508	2.4
117.06988	1.1
119.04944	7.0
121.06494	2.4
122.03626	2.2
125.26558	0.8
127.04005	1.9
129.06996	4.7
131.04912	2.4
133.06485	1.8
135.08046	2.3
136.05127	1.1
137.05981	37.0
143.04976	1.4
145.04929	1.3
145.06473	1.1
147.04349	0.9
149.05981	4.7
151.03923	1.3
151.07549	47.9
157.06493	4.5
161.05977	5.5
161.09555	1.5
163.07539	11.3
165.06975	2.6
165.09109	2.5
167.08566	4.7
174.06760	2.1
175.07544	3.4
177.09117	4.3
178.07674	1.1
184.07262	1.4
189.09131	13.4
193.06548	1.8
193.10124	2.9
195.08040	10.0
207.10144	3.0
209.09589	2.0
210.06789	1.8
211.16954	5.5
212.08191	1.7
221.05975	3.5
221.09639	3.9
223.07503	4.6
224.08255	1.6
225.09103	3.3
227.10657	13.0
237.09061	1.2
239.07001	1.0
240.07771	1.2
240.34991	0.9
241.12212	1.0
249.09132	3.2
253.08624	4.8
253.12260	7.3
255.10159	13.5
267.10110	2.5
269.08279	1.5
272.10468	1.7
281.11835	2.5
285.11240	9.8
287.12784	25.1
299.12762	1.4
313.14359	26.6
331.15405	100.0
332.15482	1.3
343.15430	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96878	1.9
55.05510	2.3
56.05031	1.9
57.09853	1.7
58.37336	1.8
60.08165	2.2
65.03500	1.8
66.59532	1.7
67.05490	5.8
69.03425	2.5
69.07063	4.0
70.06589	21.4
72.08143	7.2
76.02224	2.5
79.05478	4.1
81.03407	5.5
81.07053	3.4
83.08636	2.5
84.04489	3.8
84.08140	9.6
85.02898	7.6
86.09702	21.7
87.64753	1.6
87.65363	1.7
88.03989	2.2
89.05241	1.8
91.05502	11.0
93.07047	3.7
95.04931	2.3
95.08560	2.6
97.02888	3.5
97.06508	2.4
99.04424	2.2
100.11259	9.5
103.05467	11.4
104.05298	2.2
104.10750	11.2
105.07035	3.7
107.04967	4.0
107.08601	2.8
109.02875	3.7
110.07101	3.0
111.04408	2.4
112.94544	1.9
117.06947	2.0
119.04949	8.0
120.08096	6.8
121.06494	3.3
122.03630	3.1
124.07584	1.9
127.02102	2.0
127.03931	2.8
129.06989	4.1
129.10237	4.5
131.04938	18.3
135.08034	3.7
136.07532	4.7
136.13669	2.0
137.05978	47.5
147.04420	4.7
149.05966	4.6
151.03824	2.8
151.07542	40.4
157.06526	5.4
161.05980	8.3
162.06766	3.3
163.07545	46.1
163.08830	4.0
167.07060	2.5
167.08553	4.0
170.15424	2.9
174.06775	2.1
175.07501	4.0
177.09099	100.0
182.15379	2.7
184.07335	12.1
189.09114	11.4
193.10141	2.6
195.08040	5.9
195.10172	2.8
198.14911	2.5
207.06456	2.2
217.34425	2.0
221.06018	3.2
221.09753	3.8
221.11711	17.2
223.07520	4.9
224.08089	1.9
225.09114	3.5
227.10664	11.5
247.14856	1.7
249.09305	3.2
253.08662	3.7
253.12256	5.8
255.10226	10.2
272.09827	1.9
285.11255	7.4
287.12711	22.9
299.13058	2.0
311.12717	3.7
313.14261	21.3
318.47360	2.2
331.15390	73.0
331.19278	3.8
343.15619	4.7
522.27203	2.5
522.49750	1.9
540.28760	6.2
540.44928	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80774	0.9
55.05512	1.1
56.05036	1.0
69.03414	2.1
70.06574	3.7
70.84748	2.3
74.06084	0.9
78.06895	0.9
79.05489	1.8
81.03392	1.3
81.07047	1.8
85.02904	4.9
85.06577	1.2
86.09683	2.4
91.05479	13.6
95.04960	3.7
97.02896	2.3
97.99257	1.1
103.05489	1.6
104.10730	1.6
105.07047	2.4
107.04944	3.4
115.05415	1.5
117.07009	1.5
119.04941	11.4
120.08118	1.4
121.03041	0.9
121.06448	1.2
122.03614	2.7
127.03912	1.0
129.07019	9.5
131.04913	3.5
131.08548	3.1
133.06535	1.2
135.08057	2.9
136.05196	1.2
136.07547	1.0
137.05978	50.0
141.06964	2.2
145.04962	1.5
145.06447	1.9
149.05994	9.1
151.03905	1.4
151.07541	68.8
157.06508	9.1
158.07291	1.9
159.08040	1.5
161.05966	6.1
163.07530	16.6
165.07022	2.0
165.09070	1.6
166.07793	1.7
167.08572	5.8
169.06412	1.5
174.06773	7.4
175.07556	4.6
177.09094	3.1
178.07800	1.5
178.63692	1.0
182.07254	1.0
184.07344	2.3
189.09103	26.3
193.06419	2.8
193.10100	2.5
195.08078	12.7
201.09097	4.3
207.10136	3.3
209.09613	3.4
210.06868	2.1
211.07498	1.9
212.08331	2.2
219.08292	1.0
219.10156	26.7
221.05930	4.3
221.09628	5.6
221.11499	1.2
223.07582	6.0
224.08282	1.7
225.09085	4.3
227.10686	23.3
228.11108	1.4
231.08064	1.2
234.06784	1.3
237.09070	1.9
238.06149	1.8
239.10857	1.9
240.07791	1.7
249.09105	2.7
253.08591	8.2
253.12239	10.6
254.09380	1.7
255.10170	22.2
267.10217	2.9
269.08023	2.0
269.11789	1.3
272.10452	2.7
281.11679	3.9
283.13223	1.1
285.11273	14.8
287.12784	39.9
301.14209	1.6
313.14359	32.6
331.15405	100.0
332.15988	1.2
477.31033	2.0
502.55630	1.0
540.30353	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.4
65.03919	0.7
69.82722	2.5
70.06571	0.7
70.81804	0.4
73.01443	0.5
73.52690	0.4
77.03904	0.4
79.05467	0.5
79.65528	0.4
85.02919	2.3
86.09678	1.2
91.05473	3.6
93.07011	0.6
94.04201	0.4
95.04969	0.8
97.02905	0.5
98.21501	0.6
98.97540	0.5
103.05466	7.2
105.06986	0.7
107.04941	1.0
109.06522	0.8
115.05451	1.1
117.07020	2.0
119.04929	1.9
119.08603	0.6
121.06463	1.2
122.03636	1.7
128.06197	0.6
129.06958	1.3
131.04930	15.3
131.08562	0.4
133.06497	0.5
135.08040	0.6
137.05981	20.7
143.04944	0.6
143.08562	0.9
145.06474	0.9
149.05934	1.3
149.09709	0.6
151.07549	12.2
157.06467	1.2
161.05966	3.0
162.06720	2.2
163.07549	37.9
165.07033	0.6
167.08495	0.9
171.08080	0.8
174.06786	1.0
175.07567	3.7
177.09111	100.0
178.09442	1.2
181.06488	0.5
184.07280	0.6
189.09102	3.0
193.06499	0.7
193.10178	0.6
195.08066	2.1
195.10162	1.7
203.08704	0.7
203.10634	1.0
211.16965	0.9
221.05951	0.8
221.09712	1.1
221.11710	12.9
223.07585	1.1
225.08971	0.9
227.10637	3.7
239.10492	0.7
240.07784	0.5
253.08646	1.5
253.12239	1.7
255.10133	3.3
265.08609	1.0
267.09964	0.7
279.11411	0.5
285.11224	1.9
287.12708	5.1
299.12759	0.8
311.12701	2.7
313.14328	4.3
327.13309	0.6
331.15411	12.4
332.26050	0.4
339.13431	0.7
343.15323	2.1
367.12991	0.6
508.20825	1.1
541.26361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	20.7
57.03441	15.6
57.07077	42.3
67.05502	36.8
69.07053	13.3
71.04986	6.2
71.08623	29.7
71.49872	10.0
79.05474	26.8
81.07054	43.4
83.08617	20.0
85.10171	14.4
87.04464	7.4
91.05460	21.1
93.07042	54.9
95.08598	63.9
97.10143	7.9
105.07030	17.7
107.08598	32.3
109.10142	13.8
111.04384	7.1
114.15571	5.6
117.07015	9.9
119.08555	18.2
121.10150	7.5
131.08540	10.1
133.10165	7.3
135.11700	42.8
143.74284	6.4
145.10083	28.4
147.08038	7.0
155.08565	10.2
163.11182	53.4
181.12216	7.1
182.08818	7.6
227.12787	100.0
239.23694	9.2
273.12936	6.7
283.15442	46.7
313.27386	85.7
521.38507	56.6
539.37286	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	540.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01863	2.4
55.05502	0.9
57.03437	5.9
59.05005	1.6
59.53025	0.6
61.02930	3.7
65.03930	1.2
67.05496	0.9
68.99816	0.5
69.03428	10.5
70.06590	3.5
70.74210	1.2
71.01357	1.5
72.08150	0.9
73.02510	1.2
73.02916	22.4
79.05488	1.2
81.03416	2.9
81.07058	1.5
84.04501	0.9
84.08139	0.9
85.02905	20.2
86.09703	2.6
87.04450	1.5
89.06014	0.6
91.05481	100.0
92.05823	0.8
95.04978	0.8
95.08617	0.8
97.02891	16.1
99.04458	1.3
103.03972	1.3
104.10749	0.5
105.07029	0.9
107.04952	19.8
107.08564	1.0
109.02888	1.8
110.07178	0.7
111.04453	0.6
114.42773	0.9
115.03933	7.3
116.07103	1.7
119.04938	0.8
120.08127	1.8
121.06490	1.0
122.06012	0.7
124.07621	0.6
127.03909	6.8
129.10255	1.2
130.18527	0.6
131.04877	0.8
133.04967	9.8
137.05959	1.5
137.73679	0.7
145.04967	8.2
147.04469	0.8
149.05930	0.8
151.03922	0.8
154.08701	0.7
163.06055	1.3
184.07373	0.7
223.06067	1.0
229.08694	4.0
229.10609	0.7
241.07076	1.7
259.08023	0.7
378.23306	0.8
415.61670	0.6
448.19965	0.7
540.29382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01863	1.9
55.05515	16.7
57.03428	3.0
57.07071	3.4
65.03934	1.6
65.52378	0.8
67.05507	30.4
69.07074	11.5
70.01942	4.4
71.05014	2.2
79.05494	25.9
79.61480	1.0
81.03425	1.3
81.07057	26.6
83.04979	2.3
83.08619	6.2
85.06544	1.1
89.45712	0.9
91.04902	1.5
91.05483	27.8
93.07046	23.5
95.04958	4.7
95.08610	17.0
97.06539	2.5
97.10169	4.1
98.20784	1.0
103.05455	1.0
105.04517	1.4
105.07038	22.2
107.04955	1.0
107.08595	12.0
109.06534	2.4
109.10149	7.8
111.08073	1.7
115.05477	2.5
117.07012	11.2
119.08581	18.0
121.06527	1.3
121.10149	7.6
121.49951	0.9
123.08060	1.7
123.11717	2.0
125.09615	1.6
128.06238	3.4
129.07010	14.1
130.07761	1.1
130.18649	0.8
131.08563	18.6
133.10130	12.8
135.08057	1.2
135.11707	2.7
141.06985	8.2
142.07773	4.6
143.07487	1.6
143.08568	15.9
145.06494	1.1
145.10143	14.7
147.08055	1.3
147.11723	9.9
149.09625	1.2
149.13274	2.2
153.07002	1.6
154.07816	2.1
155.08557	17.6
155.09741	1.5
156.09367	2.5
157.10144	16.6
159.11694	10.5
161.09622	1.6
161.13261	4.1
165.07040	1.7
166.07784	1.8
166.42494	0.9
167.08548	9.8
168.09393	2.6
169.10146	20.6
170.10866	1.1
171.08075	0.9
171.11699	15.5
173.13271	4.8
175.14845	1.2
179.08623	5.1
180.09369	2.5
181.10132	14.8
182.10933	2.3
183.11684	15.9
184.12366	1.1
185.13268	8.0
187.14828	1.0
189.12711	1.6
192.09406	1.0
193.10172	5.7
194.10925	2.2
195.11726	15.4
196.12502	1.8
197.13246	11.2
199.11111	1.2
199.14841	5.0
202.63814	1.0
205.10176	1.7
207.11707	6.0
207.13669	1.6
209.13266	10.8
211.14851	7.3
213.16454	3.6
219.11691	0.9
220.12421	1.2
221.13196	4.5
222.14104	0.9
223.14844	7.5
225.16431	2.5
227.45215	1.0
233.13309	1.9
235.14865	4.1
237.16386	3.5
239.18115	1.7
241.19580	2.2
247.14799	1.9
249.16353	2.3
251.17976	2.4
259.20697	2.8
261.16370	1.4
266.57593	1.0
273.16257	1.0
281.17276	1.1
295.20721	2.2
297.18512	1.5
297.21878	1.0
303.20673	1.0
305.22794	1.0
307.20663	2.0
309.22107	2.0
313.21567	1.1
315.23355	2.3
321.22189	3.4
323.20236	1.0
323.23871	2.6
325.21622	1.1
335.23792	4.2
339.23196	1.2
347.23822	1.0
349.25290	2.8
353.24847	1.2
379.26260	1.6
381.76135	0.9
429.31689	6.9
447.32626	23.2
465.33627	11.4
483.34741	5.7
503.35355	2.2
511.45572	1.1
521.36255	11.6
539.37354	100.0
540.37726	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01870	1.4
55.05272	1.1
55.05513	14.3
57.03435	3.6
57.07079	1.5
59.04992	0.8
60.38023	0.9
65.03925	1.5
67.05505	26.9
69.07066	11.7
71.04997	1.5
71.08624	1.0
71.14450	1.0
71.14774	1.2
79.05499	23.5
81.03414	2.1
81.07056	25.7
81.07534	1.3
82.19247	0.7
83.04980	2.2
83.08620	5.9
85.06551	1.5
91.05483	27.3
93.07046	23.6
95.04960	5.2
95.08604	15.9
97.06558	2.2
97.10175	2.8
99.08096	1.0
103.05466	0.8
105.04525	0.9
105.07032	24.1
107.04978	2.3
107.08598	10.7
109.06509	2.2
109.10146	6.2
109.10818	0.7
111.08091	0.9
115.05452	2.2
116.06199	0.8
117.07032	10.1
119.08585	16.7
121.06452	1.0
121.10146	6.4
121.55988	0.8
123.08096	2.0
123.11776	1.1
125.09663	0.9
128.06247	4.4
129.07019	14.9
131.08572	14.6
133.10136	11.8
135.08025	1.7
135.11705	2.9
141.06970	7.9
141.07877	0.9
142.07768	3.1
143.08560	13.7
144.09340	1.2
145.10139	14.3
147.11681	9.0
149.09621	0.8
149.13226	1.8
153.07043	1.3
154.07809	2.9
155.08553	13.5
155.09731	1.2
156.09291	1.2
157.10150	12.2
159.11707	9.7
161.09682	1.4
161.13268	3.4
162.13916	1.1
165.06967	2.0
165.76698	0.9
166.07800	1.8
167.08580	7.7
168.09373	2.0
169.10132	18.6
170.10983	1.0
171.11691	10.8
173.13249	5.5
178.07880	0.9
179.08549	4.3
180.09346	1.8
181.10103	13.9
182.10883	2.0
183.11705	13.8
185.13239	8.9
187.14835	1.9
189.18056	0.8
193.10182	4.9
194.10918	1.6
195.11684	14.5
196.12433	1.3
197.13261	10.1
199.14825	4.5
201.16446	1.0
205.10187	1.8
207.11754	4.4
207.13857	2.5
208.12363	0.9
209.13264	9.2
211.14812	6.1
213.16396	2.4
219.11800	1.5
221.13306	3.9
223.14833	6.9
225.16431	2.6
233.13287	1.9
235.14821	2.6
237.16464	3.4
239.17992	1.5
241.19559	1.8
247.14835	1.4
247.17072	1.3
249.16431	2.1
251.18089	1.3
257.19083	0.9
259.20663	4.1
261.16418	1.4
263.17978	1.8
269.19009	1.0
279.17596	0.9
281.17465	2.0
283.20566	0.9
287.20337	1.6
290.74146	0.9
291.21295	1.1
293.18985	1.0
295.20856	1.4
307.20633	1.3
309.22232	2.1
313.21814	1.1
315.23172	4.6
321.22174	2.4
323.23746	1.9
325.21616	0.9
335.20001	1.1
335.23813	2.2
337.21902	0.9
337.25348	1.7
341.24866	1.3
346.26404	0.8
347.23758	1.0
349.25272	2.1
351.23175	1.2
353.25122	1.2
365.24570	1.0
391.25943	1.0
429.31485	5.5
447.32642	21.9
465.33774	8.4
483.34875	5.0
485.34317	2.0
503.35345	2.9
521.36279	11.7
539.37384	100.0
540.37543	3.2
562.11359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.9
55.05502	5.7
56.05016	1.8
57.07076	9.8
67.05505	23.5
69.03425	2.9
69.07070	10.1
69.90087	1.4
70.06584	11.0
71.04985	3.1
71.50835	3.4
72.08138	4.9
74.06100	2.1
79.05500	9.5
81.03423	3.2
81.07059	24.8
83.04964	2.0
83.08612	2.1
84.04511	2.5
84.08139	7.4
85.02917	7.6
85.06545	100.0
86.09712	9.5
91.05455	10.9
93.07054	20.9
95.04983	3.5
95.08604	25.6
97.02918	2.8
97.06517	3.2
97.10172	3.1
99.08093	3.2
105.07035	9.1
107.08604	17.9
109.02841	2.1
109.10175	12.7
111.08092	2.8
117.06996	3.3
119.04971	1.6
119.08585	11.8
120.08135	2.9
121.10151	13.5
121.31608	1.7
123.04424	1.9
123.08115	1.9
123.11698	4.3
125.09608	4.6
129.10234	4.0
131.08543	5.5
133.10138	10.2
135.11690	11.9
136.07568	2.2
137.05972	2.4
137.09618	4.6
145.05061	1.7
145.10141	4.8
147.04364	1.7
147.11691	8.1
149.13200	3.8
151.11215	1.9
159.11693	5.6
161.13255	5.3
163.11162	2.4
163.14807	4.1
173.13190	2.3
175.14783	1.9
177.05330	1.8
177.16447	2.1
181.12286	2.2
184.07312	2.3
187.14864	2.6
189.16396	4.0
199.55112	1.6
199.56923	1.7
203.17935	2.7
211.16914	2.2
221.19057	2.6
269.22690	2.3
271.66281	1.7
275.23642	2.4
278.06033	1.5
287.23672	5.0
295.84601	1.5
305.24765	11.5
311.25800	5.0
323.25717	16.9
335.07422	1.8
341.26932	17.2
359.27829	5.7
377.29092	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01858	1.9
55.05265	1.1
55.05510	12.6
57.03440	3.5
57.07070	1.8
65.03930	2.1
67.05505	26.6
69.07065	9.6
69.37241	5.5
71.03111	0.7
71.04987	2.2
71.08630	0.7
77.03900	1.0
79.05492	23.3
81.03422	1.4
81.06595	1.6
81.07056	25.1
83.04980	2.4
83.08620	7.2
85.06554	1.5
91.05480	26.4
93.07045	21.0
95.04963	3.9
95.08604	15.3
97.06515	1.6
97.10186	3.3
103.05433	1.1
105.07030	24.0
107.04945	1.3
107.08585	9.1
109.06509	1.8
109.10171	6.3
111.08089	1.4
115.05465	1.5
117.07024	9.0
119.08577	16.0
121.06519	0.7
121.10141	5.9
123.08073	1.7
123.11722	0.7
125.09637	2.2
128.05360	0.7
128.06235	3.1
129.07004	14.1
130.07768	1.6
131.08577	14.6
133.06465	1.0
133.10132	9.6
135.11694	3.2
137.09610	0.9
141.06999	7.1
142.07782	4.2
143.08572	16.0
145.06528	0.8
145.10132	15.6
147.11690	7.9
149.09612	1.0
149.13264	2.2
153.06975	2.3
154.07777	2.1
155.08566	14.8
156.09349	1.8
157.10129	15.3
159.07985	0.9
159.11694	7.7
161.09653	1.5
161.13260	2.8
165.06950	1.8
166.07722	1.5
167.08575	8.1
168.09334	1.4
169.10124	19.2
171.11685	14.2
173.13210	5.0
175.14827	1.0
177.12714	0.9
178.07742	0.9
179.08607	3.0
180.09404	2.2
181.10121	14.0
181.11644	1.1
182.10889	2.0
182.76001	0.8
183.11679	14.3
184.12543	0.9
185.13264	9.4
187.11156	0.9
187.14848	1.9
189.12769	1.2
193.10083	3.3
194.10822	1.4
195.11711	12.8
196.12457	1.0
197.13246	10.4
199.14839	3.8
205.10110	1.5
207.11696	4.7
207.13612	1.4
208.12285	1.0
209.13278	9.8
211.14859	6.3
213.14659	1.1
213.16431	2.9
215.14340	0.8
219.11723	1.8
221.13266	4.4
222.13979	1.4
223.14809	7.2
225.16437	2.2
227.17926	0.9
233.13260	2.0
235.14853	3.5
237.16382	2.5
239.17964	1.7
241.19464	1.4
247.14803	1.7
247.17030	1.0
249.16478	2.3
251.17900	1.6
255.17381	1.0
257.19037	1.8
259.20596	3.7
269.19052	1.0
277.19470	1.3
281.17386	1.2
283.20566	1.0
287.20297	1.1
293.19211	0.9
295.20667	1.2
299.20120	1.5
307.20474	1.7
309.22141	2.5
309.91183	0.7
311.20203	1.0
315.23248	2.4
319.20801	0.9
321.22217	2.4
323.23849	1.9
335.23557	3.4
337.25256	0.9
339.23273	2.0
341.24890	1.3
347.23764	1.1
349.25256	1.0
351.23074	1.0
351.26862	1.0
363.22971	1.2
363.27100	0.8
365.24649	1.6
367.26749	1.0
379.26108	1.2
391.26385	1.3
405.27505	0.9
419.33203	1.6
429.31482	5.2
437.34705	1.1
445.31042	0.9
447.32626	21.4
447.38629	1.5
465.33719	9.7
483.34491	4.7
485.34113	1.8
503.35312	2.4
521.36304	13.7
539.37335	100.0
540.37744	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	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91185	1.9
55.05503	3.2
55.30319	1.8
56.05022	1.8
56.42497	1.6
56.56030	1.6
59.34043	1.8
60.04516	2.5
67.05499	4.5
69.03419	6.7
69.07061	2.1
70.06593	21.3
70.94093	3.2
72.08144	5.4
79.05486	6.0
81.03413	7.8
81.07050	7.3
83.04997	2.4
83.08620	2.7
84.04498	4.8
84.08154	7.5
85.02909	5.7
85.06532	3.2
86.09703	11.8
87.64605	1.9
91.05486	8.1
93.07052	7.5
94.04184	4.5
95.04962	2.7
95.08608	5.6
97.02896	4.3
97.06544	3.5
100.11296	2.8
103.05467	2.9
105.07022	4.9
107.04975	2.7
107.08611	3.6
109.02861	4.7
109.06564	2.5
109.10182	3.5
110.07184	3.3
119.04893	2.7
119.08604	3.8
120.08115	5.0
121.10157	3.0
122.03634	8.9
123.04440	3.0
125.06086	1.9
127.03886	5.0
127.49933	1.8
129.05435	2.7
129.06985	2.5
129.10258	2.2
135.08066	2.5
135.11690	2.6
136.07561	2.9
137.05984	100.0
143.08549	2.5
145.10127	2.2
147.04439	10.1
149.06027	2.6
151.03937	4.6
151.07541	3.3
153.01846	2.1
158.07297	2.2
159.11461	2.1
161.13142	2.4
163.07556	4.8
163.11157	2.6
167.06998	3.5
177.60419	1.7
189.05481	2.2
195.65335	1.8
201.12418	2.1
213.09145	2.0
236.80089	1.8
301.12186	1.9
305.24738	3.4
323.25726	2.2
367.15503	7.3
397.16312	2.5
485.19040	2.2
503.20374	2.8
521.21582	3.3
539.28888	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	538.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05279	1.1
55.05516	15.7
56.05044	0.9
56.20900	0.6
57.03429	1.5
57.07077	0.7
60.04514	0.6
61.02919	1.3
67.05488	2.6
69.03431	5.1
69.07059	1.6
70.06591	9.9
71.04978	0.7
71.49440	0.8
72.08139	2.7
73.02928	4.1
73.59814	0.7
74.95483	0.6
79.05488	0.9
81.03403	1.1
81.07054	3.3
83.04974	6.9
83.08620	14.3
84.04483	2.3
84.08145	3.4
85.02899	6.5
85.06561	1.1
86.09710	5.9
91.05450	2.6
92.06983	0.6
93.07034	2.1
94.17555	0.6
95.04938	1.3
95.08601	1.9
96.08195	0.8
97.02905	4.2
97.06513	1.9
97.10145	1.9
99.04419	1.2
100.11251	3.0
102.05533	0.9
105.07028	1.9
107.08595	5.7
109.02871	1.6
109.06527	0.9
109.10175	6.2
110.07150	1.9
111.04428	1.0
111.08064	3.0
114.09158	1.0
115.03941	1.3
119.04895	0.9
119.08579	1.0
119.26651	0.7
120.08105	3.3
121.06492	0.8
121.10128	1.7
123.08041	0.9
123.11694	2.5
125.09641	4.1
127.03885	2.0
129.10240	1.9
133.04977	1.4
133.10135	1.9
135.04381	0.9
136.07558	2.0
137.05969	4.1
137.09662	0.9
141.10294	1.0
145.04985	1.5
147.04364	0.8
149.13277	2.4
151.11192	19.4
152.07059	1.1
165.05452	0.8
167.14325	21.5
170.08157	2.1
175.07570	4.6
178.17104	0.8
187.07541	1.3
205.08678	0.8
209.15369	100.0
210.15076	0.7
259.43939	0.8
269.58502	0.6
306.56656	0.7
538.27142	0.7
538.42804	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	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.0
55.05509	24.5
57.03435	11.7
57.07077	57.7
59.04986	6.3
67.05507	72.8
69.07069	18.2
69.25721	12.0
69.26145	37.6
70.88201	5.1
71.08636	36.9
78.90083	4.5
79.05495	89.2
81.03394	7.2
81.07061	52.3
83.04976	16.2
83.08617	18.2
85.10175	24.9
87.96928	5.3
91.05470	67.2
93.07049	83.2
95.04967	18.8
95.08617	39.9
97.06553	7.7
105.07029	54.4
107.08595	22.7
109.06525	10.5
109.10176	10.4
110.30518	4.6
117.07028	12.6
119.08570	34.2
123.11717	4.7
123.24813	5.1
129.07005	17.9
133.10109	9.0
134.20558	4.9
143.08548	10.9
145.10129	13.4
147.08090	4.5
147.11674	42.6
161.09685	6.2
161.13249	7.9
168.56506	4.9
171.11710	34.9
179.19801	5.0
179.68822	4.4
189.12730	11.8
207.13760	32.1
224.77638	4.5
239.23637	7.9
281.17493	72.2
313.27396	90.3
314.27856	5.1
324.52515	5.2
341.18268	4.9
519.40472	100.0
520.41028	7.5
533.29785	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	537.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.6
53.78138	1.7
55.01875	2.8
55.05513	27.3
55.27045	2.0
57.03440	13.6
57.07080	56.3
59.05017	2.8
65.03932	3.0
66.77552	1.6
67.05508	63.2
69.07066	20.3
71.04984	5.8
71.08287	3.0
71.08636	31.7
78.67551	2.1
79.05497	78.1
81.03390	6.7
81.07060	60.0
83.04984	16.6
83.08611	18.7
85.06522	2.9
85.10191	21.6
91.05478	59.6
93.07051	73.1
94.07330	2.0
95.04437	2.7
95.04969	18.5
95.08608	41.8
97.06516	7.8
97.10174	11.0
98.20752	5.1
100.17867	2.3
105.04528	3.6
105.07030	39.8
107.04929	4.4
107.08601	21.0
109.06503	6.5
109.10169	16.4
117.07001	7.8
119.08589	24.0
121.06433	2.9
121.10113	4.4
123.08066	5.7
123.11704	6.8
128.06186	2.5
129.07028	17.1
131.08545	4.2
133.10130	10.1
135.11688	3.3
143.08559	10.8
145.10129	9.8
147.07953	2.1
147.11691	43.2
159.11705	2.3
161.09587	5.8
161.13255	15.7
165.41057	2.2
171.11688	27.8
189.12706	12.1
207.13805	35.6
239.23669	7.4
257.24765	2.8
281.17477	62.2
282.27811	3.3
299.06183	3.0
300.06400	2.1
313.27365	73.4
347.53751	2.3
371.14417	2.4
519.40460	100.0
537.40588	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89714	3.4
53.03933	10.9
55.05515	26.4
56.80073	3.5
57.03430	15.1
57.06838	4.1
57.07077	48.3
58.05507	3.0
65.03918	4.3
67.05506	66.1
69.07075	21.1
69.75454	8.9
69.75863	11.8
71.08633	28.4
73.04752	5.3
78.99942	3.2
79.05495	79.1
81.03410	9.8
81.07058	70.0
83.04970	17.5
83.08606	13.9
85.06515	3.3
85.10176	15.1
87.04463	3.2
87.91601	3.3
90.76762	3.0
91.05469	51.5
93.07043	54.0
95.04993	17.5
95.08605	53.3
97.06568	4.5
97.10138	7.8
98.20786	3.8
105.07043	36.8
107.08569	13.1
109.06501	7.3
109.10149	13.8
117.07005	6.3
119.08553	18.5
121.06498	5.7
121.10102	9.0
123.08047	6.5
123.11736	7.0
129.07004	16.8
133.10110	11.2
143.08534	9.8
145.10123	12.8
147.10640	4.1
147.11702	31.8
161.13277	10.2
171.11703	33.2
189.12721	15.3
207.13800	32.2
222.61539	3.4
239.23770	5.1
281.17465	100.0
282.27975	4.1
299.06024	4.7
300.06256	4.6
313.27402	55.1
503.15479	3.2
519.40497	88.1
537.40930	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95773	1.6
53.03933	7.9
55.01852	2.7
55.05509	19.9
57.03435	15.9
57.07077	39.4
59.04996	2.7
65.03937	3.0
67.05505	59.2
69.07070	16.8
69.23011	17.2
71.08302	1.9
71.08640	26.3
73.06560	2.6
79.05494	64.0
81.03391	5.5
81.07053	50.0
83.04980	13.6
83.08616	16.2
85.10182	15.8
89.06072	1.7
91.05479	49.0
93.07042	53.1
95.04958	15.9
95.08604	43.0
97.06517	4.6
97.10147	7.2
99.08085	2.3
103.07558	1.7
105.04490	2.8
105.07033	39.7
107.04933	3.7
107.08595	15.0
109.06498	5.9
109.10145	11.9
110.83672	1.8
117.07024	7.5
118.17603	1.8
119.08584	22.9
121.06550	1.9
121.10145	2.9
123.08049	3.8
123.11734	4.2
128.06210	2.4
129.07008	15.9
131.08487	2.8
133.10155	13.5
135.11705	3.4
143.08594	8.1
145.10095	9.7
147.08049	2.1
147.11690	31.5
161.09613	5.2
161.13271	8.4
163.11150	2.3
166.72195	1.8
171.11688	25.1
189.12730	14.1
207.13797	30.5
225.14896	3.6
239.23726	5.5
265.52170	1.7
281.17447	100.0
313.27374	50.8
358.24756	1.9
373.69400	1.6
402.18097	1.6
519.40442	93.1
537.38690	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	537.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.00298	4.1
53.03938	4.2
53.79252	1.1
55.01862	3.7
55.05510	20.3
57.07072	49.7
59.04992	3.4
65.03929	1.7
67.05505	29.5
69.03421	2.6
69.07063	12.9
69.84356	5.8
71.01343	2.0
71.04979	2.0
71.08240	2.3
71.08628	37.0
73.02874	1.8
79.05489	10.0
81.03416	5.9
81.06594	2.1
81.07053	36.7
83.04990	2.7
83.08619	25.0
85.06544	2.6
85.10181	20.0
87.04465	1.2
89.06045	1.3
91.04913	1.6
91.05472	21.3
93.07035	15.5
95.04963	4.0
95.08605	36.4
97.02901	5.6
97.06516	3.1
97.10167	10.2
98.21539	1.1
99.00226	1.1
99.00822	14.7
99.08063	1.4
103.05450	1.8
105.06313	1.5
105.07021	21.6
107.04955	5.5
107.08604	6.7
109.02872	9.5
109.06509	3.9
109.10149	19.5
111.04449	1.4
111.08057	4.5
111.11700	1.5
115.03938	3.2
115.05447	1.6
117.07028	4.0
119.08598	9.8
121.06479	6.6
123.04420	1.6
123.11694	8.3
127.03937	2.4
128.06212	2.5
131.08557	2.3
133.06503	2.4
133.10126	37.0
135.11714	1.9
137.05963	2.6
137.09622	1.3
137.13261	2.7
139.07559	3.0
143.08601	5.5
145.06462	1.7
147.08002	1.4
151.11172	11.1
151.14825	1.8
161.09618	20.7
164.21988	1.3
165.09178	1.3
167.05609	1.0
171.08061	3.9
171.11717	1.1
179.10670	12.8
189.09099	12.9
197.11696	5.8
207.10234	5.5
225.11195	18.2
239.23683	11.4
243.12291	2.7
281.13834	4.0
281.16971	1.3
300.06207	1.6
316.83487	1.1
366.68344	1.1
537.37830	100.0
538.38306	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	537.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	5.8
53.03938	4.5
55.01855	4.2
55.05273	2.1
55.05514	25.0
57.03434	2.3
57.07080	54.2
59.05007	3.1
60.76604	1.2
65.03938	2.4
67.05506	35.1
69.03424	2.4
69.07074	15.0
69.97852	2.4
69.98247	3.5
71.01360	1.2
71.04984	2.0
71.08632	40.9
79.05496	13.7
81.03407	5.0
81.07059	43.5
83.04975	3.4
83.08152	2.0
83.08624	26.1
85.06538	1.9
85.10187	24.2
86.09716	1.8
87.04469	1.8
89.06063	2.2
91.05482	30.5
93.07052	19.4
95.04948	6.2
95.08608	38.6
97.02888	4.2
97.06531	4.0
97.10187	9.3
98.20887	1.4
99.00823	18.2
103.03934	2.2
103.05474	2.7
105.07040	21.4
107.04974	8.7
107.08595	11.0
109.02878	10.1
109.06529	3.8
109.10162	19.9
111.04462	2.7
111.08071	3.7
111.11716	2.4
115.03917	2.5
117.07038	4.3
119.08569	10.5
121.06514	9.0
121.10168	3.4
123.04478	2.3
123.08057	2.8
123.11729	11.3
125.09629	2.3
125.13189	1.7
127.03880	1.7
128.06247	2.5
131.08557	2.2
133.06519	1.7
133.10133	43.5
135.08057	2.0
135.11703	2.5
137.06029	1.3
137.09589	2.0
137.13307	1.5
139.07503	2.6
139.11189	1.6
143.08539	4.7
145.06453	2.0
145.10159	2.5
147.07996	1.6
147.11681	1.3
151.11185	15.2
161.09615	22.4
166.27449	1.2
167.05492	1.9
171.08058	6.2
171.11749	1.5
179.10681	14.6
184.07314	1.7
189.09084	13.5
196.73444	1.4
197.11797	5.5
207.10164	6.4
225.11220	25.4
239.23698	11.8
243.12270	4.0
259.15424	1.7
261.22421	1.7
281.13794	3.8
282.27612	1.5
299.06213	1.6
300.06195	2.2
304.95026	1.2
313.27533	1.6
476.67072	1.4
519.37085	1.6
537.37866	100.0
538.36932	7.9
544.90576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85923	0.6
57.93398	0.6
62.98248	1.2
65.69306	0.5
70.93250	0.7
70.93562	1.0
74.97820	0.5
118.97177	5.0
120.98728	1.2
122.01405	1.0
131.01926	1.4
131.51935	0.8
132.98784	0.8
143.01936	1.3
165.00082	0.7
173.53107	0.8
174.02885	1.1
180.99504	0.7
184.83887	0.6
185.04213	13.8
192.99655	1.5
194.98819	15.9
203.05292	31.4
203.54129	1.7
204.03955	0.9
212.52742	0.7
212.98552	4.5
224.54518	0.9
230.99672	1.5
254.99629	13.3
266.99628	3.3
273.00641	0.8
284.06705	0.8
285.00671	3.7
315.01733	4.0
357.02789	1.5
365.10553	100.0
366.10919	2.3
375.03705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
60.82482	0.2
61.20535	0.2
69.03421	0.5
69.39158	0.9
69.39578	1.0
70.06596	2.1
72.08150	0.3
74.06063	0.4
80.91447	0.2
81.03422	0.5
81.78069	0.2
83.04993	0.3
84.04514	0.4
84.08128	0.9
85.02901	1.3
86.09693	0.7
87.00827	0.4
97.02916	0.6
99.04430	0.2
101.05985	0.3
102.05556	0.3
103.16396	0.2
109.02892	0.7
113.86813	0.2
115.05485	0.6
116.07087	0.6
117.07025	2.7
122.05988	0.3
127.03919	0.7
129.05487	4.8
129.10182	0.3
132.08020	0.3
135.04411	0.3
143.07314	1.6
144.08084	100.0
145.02922	0.3
145.08426	1.2
155.06049	0.7
159.02942	0.3
161.10744	13.4
163.03938	0.7
177.05504	0.6
178.05742	0.4
192.03493	0.2
195.06490	0.2
198.44852	0.2
288.59952	0.2
300.06390	0.3
365.05634	0.6
377.11084	0.4
479.63208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05498	6.9
57.03431	5.7
67.05502	7.1
69.03431	7.1
69.07072	6.9
69.34413	23.3
69.34834	6.9
70.06266	3.4
70.06591	24.7
71.04997	32.4
71.73283	3.9
72.08162	9.7
73.04755	5.7
74.67574	3.2
79.05477	5.7
81.03417	6.9
81.07045	15.1
83.04944	3.9
84.04492	5.8
84.08125	11.8
85.02924	26.4
85.06541	9.0
86.09695	21.7
91.05447	5.6
93.07048	9.3
95.08598	9.9
97.02872	4.6
98.21498	5.2
99.08089	70.0
105.07019	7.8
107.08597	11.7
109.06374	3.9
109.10152	14.2
119.08606	5.9
120.08134	8.1
121.10082	8.4
123.08119	6.7
123.11708	8.3
127.03893	6.4
129.05493	9.1
129.10251	8.0
133.10112	23.2
135.11681	12.6
135.85793	4.2
137.05962	5.2
137.09624	6.5
147.04388	7.6
151.11197	8.3
159.09186	5.2
165.12793	3.5
167.05638	6.5
175.14827	6.9
193.15886	100.0
207.06470	6.9
207.13728	6.6
211.16969	9.6
218.92091	3.6
225.14793	4.0
239.55626	3.9
283.03140	6.8
299.06250	17.9
344.97324	5.2
396.84399	3.8
464.39706	3.5
536.20526	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
53.07124	1.3
55.01863	2.5
55.05503	3.7
55.90557	1.2
57.03438	11.1
59.05000	1.3
61.02925	1.4
67.05493	1.8
69.03413	5.8
69.84750	6.2
70.06573	1.7
71.01333	1.7
71.04990	100.0
73.02917	9.4
75.04460	2.5
77.66040	1.4
79.05526	2.0
81.03424	2.7
81.07043	4.1
83.04974	12.4
85.02905	82.9
86.09687	4.1
87.04498	2.5
93.07045	2.2
95.04953	5.7
95.08590	2.0
97.02888	8.8
99.04462	2.7
105.06987	1.7
107.08588	15.3
109.02882	2.5
109.06482	2.4
111.04449	6.9
115.03930	2.7
119.08566	2.6
120.08069	1.9
121.10147	21.8
123.08064	35.7
123.11709	30.1
125.09614	7.1
127.03877	4.2
129.05470	23.3
133.10088	3.3
145.04951	4.5
146.01930	1.4
147.06520	14.7
147.11649	2.1
149.09633	15.1
149.13225	2.0
151.07558	2.1
151.11142	3.3
159.09142	1.8
165.12759	6.6
167.10660	5.5
175.14792	5.2
183.13786	2.9
189.12817	2.7
193.15875	67.1
197.58496	1.3
199.29729	1.4
207.13748	4.2
211.16928	41.0
225.14867	33.0
249.14894	2.1
255.08717	1.7
288.52048	1.3
299.06149	1.7
446.79388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01874	3.8
55.05521	3.6
55.38379	0.7
56.05018	1.4
57.03443	6.7
59.04992	2.1
61.02924	5.8
67.05507	3.7
68.38012	0.6
69.03088	1.0
69.03431	13.2
69.07064	1.3
70.06593	4.4
71.01335	2.0
71.04993	16.3
71.49767	1.0
72.08158	3.4
73.02917	18.5
73.04743	1.5
79.05481	3.9
81.03418	3.9
81.07051	3.8
83.04985	4.7
83.08617	2.7
84.04492	1.5
84.08138	2.6
85.02905	38.5
85.06579	0.9
86.09715	6.2
87.04469	6.8
91.05438	4.4
93.07035	3.1
95.04966	11.0
95.08593	4.2
96.08181	0.9
97.02299	1.2
97.02892	17.8
97.06508	1.6
99.04446	11.8
103.03948	1.0
105.07040	3.8
107.04962	1.6
107.08590	36.1
109.02881	3.9
109.06510	7.9
109.10094	0.8
110.07134	0.8
111.04417	2.9
111.08019	0.9
115.03925	5.3
119.08583	2.3
120.08105	1.9
121.06536	1.2
121.10152	10.0
123.04451	1.6
123.08066	100.0
123.11705	12.1
124.08406	1.1
124.43078	0.7
125.06007	3.0
125.09627	24.7
127.03899	8.1
129.05455	3.0
129.10245	1.4
131.08557	3.2
133.04958	5.9
133.10117	1.0
137.05975	1.5
137.09631	1.8
139.11169	3.8
145.04951	4.6
145.10117	1.7
147.04436	1.3
147.06532	2.4
147.11723	3.8
149.09619	38.4
151.03935	1.1
151.07568	4.7
151.11159	1.0
153.05457	2.1
153.09088	1.0
159.09274	0.7
161.09663	0.9
163.06044	1.5
163.11201	1.7
165.09108	2.6
165.12709	4.9
167.05551	1.8
167.06972	0.9
167.10667	13.3
171.11647	1.2
173.96028	0.7
175.14735	0.9
177.05525	0.8
183.13831	3.8
189.12717	7.3
191.10699	1.6
193.15868	8.6
207.13799	11.9
211.16922	5.4
219.10167	1.1
223.13316	0.9
225.14851	92.7
226.15308	0.9
235.13274	2.4
237.14825	1.5
249.14827	8.0
261.14877	1.8
267.15900	1.7
279.15784	0.9
291.16022	2.7
299.06189	4.7
321.17053	1.9
339.17935	1.2
344.97650	1.2
351.17947	4.6
369.18918	1.4
415.04153	0.9
483.22092	1.2
537.31982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64282	0.2
57.03428	0.2
57.39101	0.2
60.97587	0.2
65.03936	0.5
70.06578	0.3
71.48585	0.3
71.48975	0.2
76.02222	0.2
81.34493	0.2
84.04476	0.2
85.02895	0.6
86.99070	0.2
91.05481	5.4
95.01334	0.4
97.02888	0.2
98.30426	0.2
98.97598	0.2
101.01595	0.2
113.02368	0.3
117.09334	0.2
119.04947	15.5
120.05225	0.2
120.08109	0.6
121.06487	0.3
122.02701	0.8
123.04359	0.2
135.04446	0.3
137.05978	0.3
141.01816	0.6
147.04413	100.0
148.04762	0.7
163.03943	0.9
166.08603	0.3
167.05609	0.4
175.03854	0.2
239.06696	0.3
239.09148	6.9
240.32936	0.2
298.06082	0.4
299.06195	0.3
305.06830	0.4
323.07605	4.6
360.11182	0.2
439.91003	0.2
536.14301	0.4
558.59314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2754
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01876	5.1
55.05508	4.3
57.03424	7.4
63.86296	3.6
66.77096	4.1
67.05498	12.2
67.49337	4.7
69.03427	6.1
69.07066	10.9
70.06581	10.1
71.05074	7.2
73.02921	13.1
79.05460	5.8
81.07042	14.5
83.04980	8.8
84.08147	7.8
85.02888	14.9
86.09698	8.3
87.04468	6.4
89.06046	28.1
91.05488	5.0
93.07050	6.7
93.52508	3.9
95.04950	4.5
95.08604	29.6
103.25633	4.1
105.07035	9.1
107.08562	21.7
109.06525	8.3
109.10158	85.7
119.08591	34.3
121.02842	12.8
121.10077	6.6
123.08095	6.9
123.11722	8.8
131.04892	6.3
133.08583	17.1
133.10133	17.6
135.11696	88.6
137.02361	9.2
137.05969	8.6
137.09586	18.4
147.04434	9.1
149.13268	6.8
151.11221	5.7
151.14807	5.3
153.12776	5.6
154.24858	4.8
165.01814	10.1
175.14862	33.4
193.15877	73.7
211.14915	4.8
211.16930	100.0
267.06586	7.3
281.08154	9.0
283.06052	79.4
295.06033	11.9
297.07675	12.9
309.07617	24.9
313.07071	54.1
321.07584	33.0
321.51874	4.2
325.07141	7.2
337.07153	34.4
339.08740	4.7
349.07098	26.0
367.08148	80.4
385.09177	39.8
403.10318	52.3
467.59064	4.5
529.82532	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	535.2754
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.03933	1.5
55.05505	6.5
57.07068	2.0
67.05502	15.3
69.03434	8.0
69.07059	12.7
69.82920	6.0
70.06584	6.7
71.04989	3.0
72.08179	1.8
76.05093	1.3
81.03395	1.4
81.07052	16.2
83.04974	9.1
83.08596	5.0
84.08150	2.7
85.02908	9.2
85.06576	2.2
86.09700	6.1
89.21636	1.6
91.05457	2.5
93.07043	8.7
95.08610	28.3
97.02873	4.0
97.06534	2.9
99.08091	5.0
105.07018	6.2
107.08589	23.3
109.02873	2.1
109.06520	8.7
109.10159	88.9
111.08083	2.0
113.09637	1.9
119.08586	42.3
120.08095	2.7
121.10147	10.3
123.08066	14.5
123.11690	6.7
124.53351	1.5
127.03942	2.6
129.10239	2.5
133.10136	20.6
135.11694	100.0
137.09630	14.5
149.13239	7.8
151.11189	9.0
151.14796	11.9
153.12727	2.6
165.16444	2.0
175.13301	2.6
175.14824	45.4
178.30670	1.3
193.15881	66.4
194.16138	1.3
211.16936	93.5
212.17310	1.5
256.97916	1.5
287.05499	9.5
373.22412	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	535.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04760	1.5
53.00305	1.9
53.16536	2.1
60.71652	1.6
65.03927	3.7
67.05528	4.0
69.03430	6.2
69.61811	1.6
70.06602	4.1
70.37422	3.0
70.37798	3.5
83.04977	10.8
84.08157	2.7
85.02905	4.0
89.03910	6.6
93.03391	3.0
95.04978	8.7
99.00804	12.4
107.04948	5.2
111.04439	14.6
117.03394	7.7
121.02840	4.3
123.04439	12.5
127.80941	1.8
129.05452	9.1
135.04431	23.4
137.02341	2.9
139.03906	10.2
145.02814	12.0
147.04465	2.3
147.06543	4.2
153.06964	2.8
157.05005	8.6
163.03900	100.0
170.61847	1.8
175.06099	3.1
181.06435	4.8
189.98338	2.1
191.03273	2.1
193.07085	3.1
199.07471	2.1
203.03484	2.4
205.06503	7.9
223.07515	5.6
227.05391	2.0
233.05977	5.2
247.06117	4.1
251.07053	13.9
269.08157	10.8
273.06085	17.7
279.06488	23.5
283.06070	3.0
297.07547	22.5
307.05905	5.2
325.07053	18.2
343.08047	3.5
409.09198	2.9
410.87790	1.9
492.34933	1.7
499.12256	3.8
535.16772	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	535.1087
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.40659	0.1
56.05016	0.1
67.01865	0.4
68.99777	0.4
69.03391	0.2
69.07053	0.1
70.06591	0.5
71.49894	0.1
72.08120	0.3
73.02879	0.1
79.05460	0.1
81.03400	0.2
84.08109	0.3
85.02886	0.1
85.16206	0.1
86.09711	0.6
89.03901	0.1
97.02857	0.1
105.07003	0.1
107.08509	0.1
108.83141	0.1
109.02808	0.2
109.10144	0.1
110.07169	0.1
111.00711	0.1
117.03351	0.2
119.04928	0.1
119.08503	0.1
120.08086	0.4
127.01051	0.1
127.03872	0.2
129.01773	0.1
129.10243	0.2
133.10083	0.1
135.03415	0.1
135.04411	1.5
137.02353	0.6
137.06042	0.2
147.04370	0.2
149.63330	0.1
153.01825	5.1
161.02336	0.6
165.05447	0.1
166.08702	0.1
171.02910	0.3
171.04234	0.1
172.80659	0.1
179.03389	0.3
185.06004	0.1
201.05457	0.1
203.03407	0.1
213.05505	0.1
219.06509	0.1
231.06367	0.1
241.04843	0.6
245.04440	0.2
254.08031	0.1
258.46536	0.1
269.04422	0.5
287.05493	100.0
288.05801	0.8
313.07040	0.1
348.94431	0.1
423.95120	0.1
449.10754	1.0
491.11948	0.1
493.67996	0.1
517.09875	0.1
535.10870	2.5
535.18896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1082
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
Peak:m/z	Relative Intensity
51.96833	1.8
52.50262	1.9
55.01868	1.9
55.05509	2.7
56.05030	4.8
57.03427	1.9
60.04532	9.7
61.02928	2.9
69.03417	2.8
69.07057	7.8
69.58520	3.7
69.58936	9.1
70.06596	14.6
71.04988	5.2
71.88924	1.6
72.08138	7.7
74.33904	1.6
75.05621	2.6
79.01839	2.2
81.03423	4.3
83.06115	4.2
84.04504	16.0
84.08144	28.1
85.02908	10.7
86.09705	82.4
87.04452	3.8
87.10054	6.2
89.06025	5.3
91.05483	3.4
92.52387	1.8
93.04534	2.2
95.04984	2.0
97.02930	3.5
98.21485	3.8
99.04459	2.5
102.05550	8.0
103.03938	4.6
109.02869	1.8
110.07169	50.2
111.07494	3.8
112.03979	7.3
114.26361	1.9
120.08119	3.7
121.08502	1.9
129.10245	15.3
130.04997	5.7
133.08598	3.7
133.10158	7.0
136.07596	2.7
137.02333	10.1
143.11823	7.0
147.11775	1.8
148.06046	3.3
163.03865	2.6
165.01855	8.1
166.06146	3.8
167.03392	2.5
169.06059	3.4
173.13332	2.7
177.11183	1.9
183.02888	3.1
187.07224	3.1
191.03569	2.3
191.14366	2.0
195.02895	2.7
209.15369	3.7
223.15675	2.0
224.17648	2.6
227.06967	1.8
227.16432	3.7
229.04965	2.5
241.08228	2.4
251.15038	2.4
259.06265	2.2
259.09204	4.8
266.16144	5.1
271.05899	3.7
272.06784	4.2
272.15967	4.9
283.05994	3.3
287.05426	6.5
297.98218	1.9
299.05499	51.7
300.06232	23.1
300.15463	5.3
311.05518	35.6
313.07095	15.8
323.05560	2.2
325.07205	5.9
329.06546	100.0
339.04974	2.3
339.08591	9.1
341.06494	3.6
349.07364	2.4
350.74948	1.7
353.06497	17.2
359.07663	4.6
385.21753	2.2
395.07751	14.1
413.08514	4.7
431.09769	2.4
455.09772	11.6
470.26642	2.2
473.10785	7.6
490.58362	1.9
499.08554	6.2
499.15826	2.1
517.09784	12.4
534.79077	6.6
535.10864	23.8
535.18896	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05511	6.9
56.04790	0.4
56.05037	4.3
57.07074	2.8
58.02960	0.4
58.06603	0.4
58.79704	0.3
60.04277	0.3
60.04529	3.4
60.58270	0.2
63.08980	0.2
65.03953	1.2
67.04234	0.5
67.05505	12.7
68.05032	1.8
69.07070	8.6
70.06590	1.9
71.08641	1.6
72.04507	0.4
79.05494	11.5
80.04581	0.3
80.05013	4.0
81.05807	1.5
81.07057	12.7
82.06580	8.4
83.04963	0.3
83.08619	5.0
84.08138	0.7
85.10165	1.0
86.06056	0.7
91.05482	10.1
93.05758	0.6
93.07043	9.7
94.06570	20.6
95.04964	0.7
95.06754	0.6
95.07353	8.7
95.08606	10.4
96.07568	0.4
96.08128	4.9
97.06532	0.5
97.10178	2.6
98.06040	0.5
100.07595	0.5
105.04539	0.5
105.07034	6.9
107.07338	0.3
107.08600	5.7
108.07426	0.4
108.08110	3.6
109.08966	0.3
109.10154	3.5
110.09633	0.3
111.11686	0.8
119.08579	6.3
120.08123	0.6
121.08863	0.4
121.10143	6.5
122.09666	2.5
123.11674	1.0
124.11246	0.5
128.39226	0.2
133.10130	3.9
134.09631	0.5
135.10463	0.8
135.11685	4.0
136.11197	0.9
137.13223	0.8
147.11676	1.7
149.13208	1.5
151.14812	0.7
161.13235	1.0
163.14771	0.6
165.16246	0.2
175.14758	0.3
182.19080	0.3
189.16415	0.3
191.17963	0.9
193.19608	0.3
203.17906	0.2
217.19528	0.4
219.21066	0.8
222.63536	0.3
233.22639	4.5
234.22176	0.5
237.22144	0.4
245.22664	4.1
250.25302	9.9
254.24754	1.0
260.23666	0.5
262.25293	100.0
263.23358	0.5
263.25912	1.2
272.25854	4.9
280.26352	11.5
320.03116	0.2
473.09802	0.3
504.47787	2.4
516.47754	7.1
517.48584	0.3
534.48779	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.07074	1.3
58.06606	1.4
60.08167	18.5
67.05499	3.8
69.07046	1.1
69.55854	1.0
70.06601	1.2
71.07381	7.2
79.05508	1.8
81.03414	1.3
81.07051	2.4
83.08627	1.2
83.99024	1.1
84.08224	1.1
86.09708	51.7
91.05475	2.4
93.07044	2.6
95.08602	1.8
98.98475	3.7
104.10747	100.0
105.07042	2.5
125.00005	31.2
128.72012	1.0
131.08543	1.5
133.39410	1.0
145.17947	1.1
181.14882	1.2
184.07352	97.3
185.07617	1.3
393.26410	1.8
498.29791	8.6
516.30890	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	534.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83108	1.1
53.03960	1.1
57.03424	1.7
59.04718	2.2
59.05005	42.2
61.89552	1.1
62.42947	1.1
69.03444	1.1
69.83667	2.0
69.84074	4.1
70.06572	2.9
73.02858	1.2
73.06568	1.1
75.03907	1.0
76.71010	1.0
81.03463	1.0
81.07054	1.0
84.08134	2.2
85.02908	5.9
86.09689	3.1
87.04459	1.9
89.06030	100.0
90.06316	1.1
97.02915	1.3
98.21438	1.9
103.07587	3.2
107.07085	2.0
117.09122	3.7
119.04964	1.2
120.96773	1.1
126.76099	1.0
127.03915	1.1
133.08607	60.0
137.06004	1.1
147.10141	1.1
151.09639	4.1
161.11732	3.0
166.07291	2.4
177.05365	1.0
177.11203	10.5
191.12703	1.1
195.12303	4.9
207.06496	1.3
221.13863	2.4
224.51530	1.1
239.14894	67.2
269.36652	0.9
277.69592	1.0
297.19101	28.4
299.05710	1.0
337.21393	1.0
353.06363	1.0
355.23248	40.1
410.91766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
56.05030	1.3
57.03425	1.2
59.04996	6.7
69.03419	2.8
70.06603	9.4
71.49660	1.5
72.08146	3.5
73.06549	2.7
81.07020	1.3
84.04510	1.2
84.08123	4.6
85.02872	2.2
86.09711	5.8
87.04472	30.0
89.06035	83.7
99.04420	1.2
103.03946	100.0
103.07594	2.2
105.72675	1.1
107.04946	1.2
107.07064	1.4
110.07118	2.8
112.43036	1.2
116.07082	1.4
117.09136	1.5
119.07079	1.5
120.08066	1.7
121.08582	1.4
123.04362	1.2
129.10199	2.2
130.06560	1.1
130.08623	1.8
131.07045	9.3
133.08604	51.0
147.06525	13.6
150.80540	1.2
163.09645	3.1
175.09671	4.0
177.11226	17.1
191.09177	6.4
207.12248	3.8
219.12242	2.1
221.13861	3.1
230.18704	1.3
235.11722	7.0
259.03333	1.1
279.14197	1.6
310.75375	1.1
317.82193	1.2
320.64041	1.2
370.92892	1.3
502.17203	1.2
517.11737	1.3
517.28534	6.1
520.42047	1.3
534.33618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
64.94425	0.5
69.03423	1.9
69.73417	3.1
72.30273	0.6
76.32854	0.5
81.03409	0.6
83.04998	0.5
84.04478	0.9
85.02911	3.8
85.06546	10.6
86.09702	1.4
87.00819	1.3
91.38413	0.5
93.07037	1.2
94.73775	0.5
97.02885	1.4
103.05469	7.2
103.07586	4.5
105.01868	2.1
107.04971	2.9
109.02885	1.4
116.07041	0.5
120.08104	100.0
121.06493	1.5
121.08611	6.9
127.03936	3.8
131.04932	2.5
136.07582	0.5
145.04910	0.6
149.05988	1.8
158.93663	0.5
163.03883	1.3
166.08641	41.6
169.50317	0.5
211.09721	0.7
230.22665	0.5
231.05081	1.7
289.12866	1.0
445.26251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.05515	26.0
57.07063	7.5
60.01216	2.7
66.71834	3.8
67.05505	35.6
69.07069	27.4
70.24579	12.7
75.68858	3.5
79.05500	29.7
81.07061	98.8
83.08613	13.0
85.06525	16.5
91.05473	24.3
93.07037	52.6
95.04948	4.8
95.08609	71.7
97.10189	8.0
98.85460	3.3
99.04449	8.4
101.06023	4.8
105.07035	52.0
107.08593	70.7
109.06503	6.1
109.09455	6.8
109.10153	45.7
117.06963	4.3
119.08592	54.2
121.10142	48.6
123.08146	3.6
123.11699	23.2
127.07497	6.5
129.07057	3.8
131.08603	20.8
133.10132	36.9
135.11726	25.4
137.13243	5.9
140.72520	2.9
143.08583	11.9
145.10161	28.2
147.11708	34.5
149.09666	5.0
149.13271	27.8
151.14822	3.8
157.10138	12.9
158.10982	3.7
159.11674	39.4
161.13251	25.0
163.14830	15.7
167.10680	4.9
171.11700	11.9
173.13274	23.4
175.11212	4.9
175.14839	11.5
177.16423	4.3
181.12115	4.7
185.13268	11.5
187.14836	14.2
189.16417	10.1
193.12328	7.5
195.13805	4.5
197.13152	4.0
199.14853	9.2
201.16426	13.4
203.17975	10.7
207.13867	4.2
211.14925	5.4
213.16364	12.1
215.17885	15.5
217.19550	10.9
225.16460	4.0
227.17886	4.9
229.19447	8.6
241.19426	3.8
249.66814	3.2
255.21123	3.8
257.22678	7.6
259.17004	4.5
261.18381	4.7
283.24310	6.1
325.29065	5.7
392.58020	4.4
437.34015	4.0
474.30798	3.3
533.35974	6.7
533.43671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3838
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
51.02372	3.0
53.03934	6.6
55.01862	4.1
55.05514	35.4
57.03424	10.9
57.07069	7.5
64.36690	2.3
65.03931	5.5
67.05503	97.8
69.03431	3.9
69.07070	22.9
69.31404	2.7
71.04984	8.9
71.08649	2.9
79.05486	61.4
81.03415	6.1
81.07053	88.9
83.04956	9.5
83.08620	24.3
85.06508	6.7
86.05586	3.3
91.05486	49.5
93.07038	71.1
95.04967	4.8
95.08603	55.8
97.06509	11.4
97.10166	21.7
98.20777	8.3
102.03266	2.6
105.07030	44.6
107.08598	49.9
109.10149	38.4
111.08080	5.8
117.06996	12.0
118.10203	2.7
119.08584	33.6
121.10142	30.7
123.08047	4.8
123.11701	13.9
125.09641	14.5
128.06163	3.6
129.06975	6.7
130.07816	2.8
131.08571	24.5
133.10130	34.5
135.11702	35.8
143.08537	9.8
145.10100	22.2
147.11661	19.2
149.13260	11.9
151.11143	4.0
153.12688	3.6
155.08513	3.4
155.29762	2.5
157.10100	8.0
159.11700	15.1
161.13246	10.6
163.11099	4.6
163.14825	6.3
169.10164	4.4
171.11678	11.0
173.13261	8.5
175.14838	6.6
181.12241	6.6
183.11699	2.9
185.13257	7.6
187.13249	3.3
187.14809	4.7
189.11212	11.3
197.13341	3.9
199.14859	3.7
224.82428	2.8
227.12798	16.9
243.21126	4.1
253.14336	5.1
255.15950	11.6
255.21045	3.2
261.22107	13.4
273.22058	8.1
287.23599	5.3
289.22061	3.1
289.25220	6.6
291.23285	4.7
315.23264	4.3
317.24670	4.2
329.24875	3.2
335.25943	13.0
347.25699	4.3
405.31238	6.7
423.32556	16.2
441.33548	16.0
459.34485	10.9
497.35919	8.9
515.37299	100.0
533.38336	58.3
534.39038	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3841
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03948	6.3
55.01871	6.6
55.05282	2.9
55.05520	41.1
57.03432	11.6
57.07077	7.3
59.05000	3.9
65.03939	4.1
67.05508	100.0
69.07076	29.5
69.98376	13.1
71.04990	10.5
71.08641	3.3
79.05495	61.8
79.05923	5.1
81.03453	4.2
81.07059	93.9
83.04973	8.6
83.08620	24.4
85.06554	5.0
87.04491	2.9
91.05482	47.1
93.07046	73.6
94.83233	2.7
95.04986	8.1
95.08613	70.9
97.06532	9.8
97.10170	20.4
99.08172	2.8
105.07037	44.3
107.08595	51.3
109.10165	36.6
111.08092	3.3
117.07023	18.1
119.08588	42.3
121.06526	4.1
121.10155	30.3
123.08078	4.1
123.11725	12.3
125.09641	14.5
128.06323	3.4
129.07001	9.1
131.08565	29.0
133.10133	30.7
133.86725	3.0
135.08075	4.3
135.11699	39.4
137.13313	3.2
143.08554	12.1
145.10127	26.1
147.11700	22.4
149.13260	10.3
153.12733	7.4
157.10130	8.8
159.11714	17.8
161.13274	12.0
163.11224	3.4
163.14813	4.5
169.10114	4.6
171.11739	9.3
173.11894	2.8
173.13290	11.6
175.14828	4.7
181.12270	11.1
183.11798	3.3
185.13322	11.0
187.14836	6.4
189.11205	8.2
191.14333	2.5
197.13329	2.8
199.14853	3.5
200.83772	2.3
205.60080	2.5
211.14868	3.1
213.16374	2.4
227.12766	20.2
227.17854	2.7
229.14270	3.3
253.14363	3.6
255.15863	14.7
261.22195	16.0
265.19400	2.6
273.22107	7.3
287.23663	8.7
289.25421	3.7
291.23099	6.1
317.24731	3.7
333.24255	3.1
335.25790	10.4
395.28793	3.7
405.31427	6.2
423.32565	14.1
441.33710	23.5
459.34607	18.2
489.35843	4.1
497.36472	5.1
515.37329	90.6
516.37512	4.0
533.38300	55.7
534.38495	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	533.384
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03954	4.2
54.74480	2.2
55.01870	2.8
55.05512	40.3
57.03443	12.8
57.07079	5.5
64.19669	2.5
65.03946	4.6
65.84863	2.6
67.05505	100.0
69.03449	2.5
69.07071	30.1
69.77889	2.7
69.81163	13.9
71.01354	3.6
71.04990	4.9
71.08593	4.6
79.05496	69.6
81.03425	5.0
81.07059	91.7
83.04977	9.9
83.08626	18.1
85.06532	6.0
91.05482	42.7
93.06486	4.6
93.07043	73.0
95.04952	6.5
95.08608	59.0
97.06530	10.9
97.10189	18.3
98.20812	3.6
105.07033	35.5
107.08598	56.1
109.06513	3.3
109.10153	30.4
111.08100	7.1
117.07013	16.1
119.08581	35.4
121.10151	30.1
123.11714	13.6
125.09598	14.0
129.06979	6.8
131.08551	25.6
133.10135	25.7
135.11688	48.0
137.13277	3.4
143.08577	7.1
145.10133	33.1
147.11664	20.2
149.13219	11.1
151.11128	3.2
153.12721	5.4
155.08521	4.9
157.10188	7.8
159.11696	21.7
161.13287	10.5
163.11212	6.5
163.14824	3.6
169.10353	2.7
171.10205	3.1
171.11566	5.4
173.13329	15.9
175.14836	5.5
181.06305	3.0
181.12273	9.2
183.11707	3.9
185.13252	4.9
187.14821	8.3
189.11223	5.9
209.13397	2.9
215.17937	2.8
227.12804	11.6
229.14536	3.7
233.18918	4.0
247.20653	3.1
253.14439	4.6
255.15909	21.9
259.20700	4.5
261.22095	21.8
273.22113	5.5
279.23303	3.0
287.23639	7.0
289.21622	3.6
301.25256	2.7
315.23138	2.8
317.24716	3.1
335.25711	14.3
361.27039	2.8
403.48270	3.1
405.31195	3.8
413.34665	3.6
423.32581	16.8
441.33563	16.3
459.34525	10.6
497.36237	4.4
515.37329	99.5
533.29480	5.7
533.38293	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3839
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03949	5.7
55.01875	6.2
55.05515	32.9
57.03442	10.1
57.07075	5.8
59.05019	1.7
65.03940	3.1
67.05507	100.0
68.05841	1.6
69.03436	2.2
69.06727	2.8
69.07072	26.9
70.96161	2.0
70.96481	1.6
71.04993	6.1
71.08639	2.5
79.05498	57.1
81.03423	8.1
81.07060	92.7
83.04956	8.7
83.08624	17.0
85.06545	5.7
85.10181	1.6
91.04910	2.1
91.05479	44.3
91.14078	1.7
93.07046	70.2
95.04967	7.0
95.08607	56.2
97.06528	11.8
97.10170	18.5
99.08110	2.8
101.18575	1.4
105.07041	38.0
107.08598	49.9
109.06515	3.7
109.10168	39.6
111.08110	7.2
111.11748	2.0
111.98923	1.6
117.07021	14.6
118.07856	2.0
119.08576	29.9
121.06568	2.2
121.10146	28.3
123.08095	2.9
123.11717	15.7
125.09628	8.3
129.07019	7.6
131.08569	22.0
133.10136	33.9
135.08043	3.7
135.11700	38.8
137.09659	2.2
137.13261	3.5
139.11205	2.3
142.17349	1.5
143.08574	8.6
145.10135	23.1
147.11682	16.3
149.13263	12.1
151.07509	2.0
151.11186	4.0
153.12772	3.7
155.08571	2.1
157.10175	6.9
159.11702	17.1
161.13252	8.4
163.11182	4.5
163.14787	5.7
165.12822	2.4
169.10219	1.6
171.11702	6.2
173.11874	3.2
173.13222	11.7
175.14874	4.8
177.12715	2.1
181.12265	7.6
183.11722	4.0
185.13287	4.6
187.13258	1.8
187.14876	4.6
189.11203	3.7
193.12296	3.4
197.13257	2.8
199.13272	1.8
199.14908	2.7
201.16417	2.0
213.16463	2.7
227.12781	7.8
229.14386	2.1
243.21135	4.1
253.14349	4.5
255.15918	16.2
257.17422	1.9
259.20630	3.0
261.22092	24.2
262.22156	1.6
271.20630	2.1
273.22183	3.5
277.21674	2.5
279.51169	1.6
287.23770	2.8
289.25317	3.3
291.23206	2.3
317.24869	2.9
325.25610	1.8
329.24673	2.3
335.25931	16.2
405.31711	4.7
413.34195	2.5
423.32611	12.4
441.33786	13.4
459.34573	10.9
489.35724	2.9
497.36246	3.9
515.37335	79.1
533.28613	4.2
533.38318	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	532.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05510	1.1
57.03425	4.4
59.05002	100.0
61.02905	1.6
67.05494	1.9
69.03416	2.1
70.06602	6.4
71.49307	1.1
72.08142	2.3
79.05454	1.7
81.03392	1.7
81.07045	2.8
81.19795	0.9
83.04912	1.1
84.04510	2.0
84.08137	3.1
85.02885	2.9
86.09692	3.9
87.04449	2.8
89.06033	26.2
91.03957	2.2
91.05473	2.2
95.04959	1.6
97.02885	1.7
99.08092	1.2
101.09603	1.9
103.07575	3.3
105.07044	1.7
107.04942	1.0
109.02880	1.9
109.10174	1.8
115.07557	1.7
117.09137	31.5
118.73511	1.0
120.08068	3.4
123.04406	1.5
127.03864	1.6
129.10243	1.7
133.08601	14.4
137.05952	1.1
147.04398	1.7
149.07437	1.2
167.07129	1.2
175.09700	1.2
175.13297	10.8
177.11221	7.4
188.92603	0.9
196.83665	0.9
221.13751	1.0
233.17590	1.1
239.14857	1.3
255.06483	6.0
261.12659	2.1
283.17548	12.6
341.21622	4.3
358.86697	0.9
378.77649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05513	0.8
57.03418	3.7
57.16776	0.7
61.02906	2.6
67.05489	1.1
68.79250	0.8
69.03415	5.8
69.07038	1.5
70.06599	5.3
70.84925	0.7
71.01338	1.0
71.50295	1.2
72.08154	2.6
73.02922	17.6
76.02259	0.9
78.09291	0.7
79.05485	1.5
81.03406	1.8
81.07039	1.5
84.08119	2.9
85.01124	1.5
85.02907	11.0
85.06556	1.0
86.09694	6.6
87.04452	1.4
89.06044	1.3
91.05480	2.0
93.07024	2.2
95.08606	1.6
97.02902	5.4
100.02192	3.2
103.05419	1.1
105.07023	6.1
107.04948	0.9
107.08576	3.0
109.02838	2.3
110.07142	1.1
112.02205	4.2
114.03783	0.8
115.03916	2.6
119.08549	0.9
120.08078	2.2
121.08440	0.7
121.10143	5.7
123.08010	1.0
126.03742	11.7
127.03956	4.8
129.10252	1.5
130.06551	0.8
133.04959	3.1
136.07564	1.6
137.06024	1.0
140.05286	20.9
140.58856	0.8
145.04948	2.7
145.10173	1.3
147.97626	0.8
163.06009	0.9
164.05318	1.7
178.06841	6.5
192.08388	1.2
194.09949	2.9
207.06619	0.9
220.11563	23.2
223.10213	1.0
224.16206	1.0
238.12610	65.6
239.13002	1.1
400.17899	100.0
401.18134	2.0
532.22046	4.8
532.30859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35800	2.2
53.03930	6.7
55.01869	6.0
55.05283	2.5
55.05516	42.2
57.03424	12.5
57.07074	4.8
65.03934	2.8
67.05505	93.5
69.03433	3.0
69.07071	29.5
69.88812	10.5
71.04981	6.2
76.19471	2.4
76.70535	2.7
79.05492	71.8
81.03391	6.6
81.06609	3.4
81.07058	68.5
83.04971	9.8
83.08619	17.8
85.06541	5.8
91.05482	77.1
93.07047	66.6
95.04951	7.5
95.07993	3.2
95.08608	49.6
95.26367	2.7
97.06512	10.5
97.10161	21.8
98.20849	4.5
99.08083	3.0
101.18885	2.4
103.03960	2.8
103.05489	2.5
105.04504	2.9
105.07027	59.5
107.04910	3.7
107.08588	52.0
109.10165	22.1
111.08058	3.3
117.07025	21.2
119.08572	55.1
119.94814	2.8
121.10146	29.6
123.08055	5.9
123.11726	5.2
125.09608	16.1
128.06235	4.1
129.06992	15.5
130.07721	3.6
131.08569	37.6
133.10114	45.5
135.08081	3.2
135.11693	37.9
135.14082	2.5
141.07030	4.5
142.07777	5.2
143.08574	21.1
143.66856	2.9
145.10132	45.4
147.08028	3.2
147.11687	33.0
149.09651	4.8
149.13245	9.4
151.11212	5.2
153.12761	2.4
155.08521	7.4
157.10117	28.7
159.11707	28.3
161.09619	5.6
161.13255	23.9
163.11195	5.0
163.14835	6.4
169.10115	13.7
171.10301	4.1
171.11688	28.5
173.13251	17.9
175.11176	5.1
175.14841	9.3
179.10718	2.8
181.10152	5.1
181.12225	6.4
183.11694	13.7
185.13239	16.6
187.14867	13.2
189.11122	7.9
189.12700	3.6
193.10144	2.7
195.11627	6.8
197.13223	11.1
199.14865	12.3
201.16376	3.1
209.13202	7.6
211.14828	6.9
213.16237	4.5
223.14809	4.1
227.12743	13.3
227.17937	3.3
231.21069	3.3
237.16357	3.7
241.19556	20.7
243.21272	4.2
249.16371	2.7
253.14290	6.3
253.19582	2.5
255.15900	23.0
259.20593	28.5
261.22015	4.8
279.07532	2.6
285.21973	5.5
287.20615	2.7
287.23596	12.9
297.22260	4.5
311.23438	3.7
313.21707	3.9
315.23007	4.8
323.23462	3.0
327.23312	4.4
331.58093	2.8
333.24420	12.8
389.26517	3.0
393.31668	4.0
403.29834	6.3
409.30899	4.2
411.32397	3.4
421.31024	25.2
429.34189	2.8
439.32181	17.0
457.33276	15.4
485.35794	2.9
495.34515	4.5
501.35843	3.8
503.37274	24.6
513.35791	100.0
531.36792	70.8
546.84473	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	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01865	1.0
55.05265	1.4
55.05509	12.6
57.07078	2.4
61.42887	0.8
62.04947	0.9
62.22862	1.0
65.03937	2.8
66.29019	1.0
67.05507	38.1
67.86083	1.0
69.07066	10.1
71.01361	4.4
71.04991	2.2
71.50238	0.7
77.03911	0.8
79.05495	24.5
81.03410	4.1
81.06596	1.8
81.07058	31.7
81.07526	1.8
83.04985	2.2
83.08605	6.9
85.06519	2.4
87.04472	2.4
91.05485	36.9
93.07050	21.1
94.07396	0.9
95.04991	4.4
95.08606	21.6
95.09178	1.4
97.06513	2.1
97.10175	3.3
101.36536	0.9
105.00088	2.0
105.07037	19.8
105.07703	1.6
107.08598	14.7
109.06506	1.3
109.10171	8.4
111.08051	2.1
117.07012	4.9
119.08585	11.6
121.06527	1.3
121.10162	10.1
123.11721	4.7
125.09628	3.2
127.11203	1.2
128.06236	1.6
129.07014	3.6
131.08572	13.2
133.06525	1.4
133.10135	34.6
135.08061	1.0
135.11699	10.5
137.13258	1.3
141.07016	1.1
143.08556	4.5
145.10107	8.0
147.11696	5.5
149.09642	4.9
149.13268	3.6
151.11197	3.7
153.09157	1.1
155.08545	2.6
157.10158	2.6
159.08107	3.2
159.11693	5.4
161.09648	4.9
161.13249	4.8
163.11157	2.1
163.14833	1.8
165.12769	1.0
169.10155	1.9
171.10356	1.4
171.11752	3.9
173.13293	3.3
175.11278	1.6
175.14859	1.2
179.10687	1.5
181.10114	1.3
183.11749	2.5
185.13246	2.5
187.14894	2.9
189.11284	1.0
193.12265	1.7
197.11740	3.8
197.13371	1.7
199.14766	1.1
203.32164	1.0
209.13234	1.2
211.14903	2.0
213.16440	1.9
216.90427	1.1
227.12791	1.7
243.21072	2.0
251.12862	1.3
251.17926	1.0
253.14343	5.3
253.18126	1.5
259.20554	1.7
261.22180	6.5
271.15482	1.4
271.20535	1.2
285.21942	1.2
287.23898	2.0
289.21890	1.0
317.24683	1.8
333.24191	1.1
335.25763	9.5
403.29916	1.3
421.31052	4.6
439.32156	3.2
457.33069	3.7
513.35706	23.0
531.38623	100.0
532.39014	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01865	1.0
55.05265	1.4
55.05509	12.6
57.07078	2.4
61.42887	0.8
62.04947	0.9
62.22862	1.0
65.03937	2.8
66.29019	1.0
67.05507	38.1
67.86083	1.0
69.07066	10.1
71.01361	4.4
71.04991	2.2
71.50238	0.7
77.03911	0.8
79.05495	24.5
81.03410	4.1
81.06596	1.8
81.07058	31.7
81.07526	1.8
83.04985	2.2
83.08605	6.9
85.06519	2.4
87.04472	2.4
91.05485	36.9
93.07050	21.1
94.07396	0.9
95.04991	4.4
95.08606	21.6
95.09178	1.4
97.06513	2.1
97.10175	3.3
101.36536	0.9
105.00088	2.0
105.07037	19.8
105.07703	1.6
107.08598	14.7
109.06506	1.3
109.10171	8.4
111.08051	2.1
117.07012	4.9
119.08585	11.6
121.06527	1.3
121.10162	10.1
123.11721	4.7
125.09628	3.2
127.11203	1.2
128.06236	1.6
129.07014	3.6
131.08572	13.2
133.06525	1.4
133.10135	34.6
135.08061	1.0
135.11699	10.5
137.13258	1.3
141.07016	1.1
143.08556	4.5
145.10107	8.0
147.11696	5.5
149.09642	4.9
149.13268	3.6
151.11197	3.7
153.09157	1.1
155.08545	2.6
157.10158	2.6
159.08107	3.2
159.11693	5.4
161.09648	4.9
161.13249	4.8
163.11157	2.1
163.14833	1.8
165.12769	1.0
169.10155	1.9
171.10356	1.4
171.11752	3.9
173.13293	3.3
175.11278	1.6
175.14859	1.2
179.10687	1.5
181.10114	1.3
183.11749	2.5
185.13246	2.5
187.14894	2.9
189.11284	1.0
193.12265	1.7
197.11740	3.8
197.13371	1.7
199.14766	1.1
203.32164	1.0
209.13234	1.2
211.14903	2.0
213.16440	1.9
216.90427	1.1
227.12791	1.7
243.21072	2.0
251.12862	1.3
251.17926	1.0
253.14343	5.3
253.18126	1.5
259.20554	1.7
261.22180	6.5
271.15482	1.4
271.20535	1.2
285.21942	1.2
287.23898	2.0
289.21890	1.0
317.24683	1.8
333.24191	1.1
335.25763	9.5
403.29916	1.3
421.31052	4.6
439.32156	3.2
457.33069	3.7
513.35706	23.0
531.38623	100.0
532.39014	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
56.05038	0.4
65.03937	0.5
69.31294	3.2
70.99535	0.5
74.00670	0.5
76.03988	1.5
79.59947	0.4
80.05008	1.0
80.97812	0.3
83.06091	0.6
84.04052	0.6
84.04510	8.2
84.08141	0.7
84.39511	0.3
85.02903	9.0
85.04021	2.8
86.09706	0.5
87.10995	0.3
91.05500	0.5
92.01699	1.1
93.05782	2.5
94.06554	1.1
97.01118	1.1
99.02704	1.7
99.05562	0.9
100.02243	0.9
106.06527	0.9
110.06058	0.4
112.03984	0.6
113.03448	0.7
117.05757	0.5
118.06560	1.9
120.08105	0.5
123.04462	0.4
124.02190	1.2
125.02966	10.1
126.03738	16.1
127.02135	1.4
129.06590	0.9
130.05019	6.0
130.06531	1.1
131.03500	0.5
131.04535	2.2
131.07315	1.9
132.08102	3.1
134.06009	0.6
134.09648	0.4
135.02667	3.2
136.02116	0.7
137.04149	0.4
138.03693	1.1
144.08098	2.7
145.06096	0.5
147.07663	0.4
148.07568	1.6
150.03770	2.3
151.04575	0.6
151.06186	0.5
152.05307	1.6
153.06610	0.3
158.05997	0.5
159.02141	0.5
159.06813	0.7
160.00713	0.4
160.07564	2.8
164.05299	9.7
164.06763	0.7
166.03238	3.0
166.06773	0.5
174.03767	0.5
175.04469	0.3
176.07103	2.0
177.03302	8.7
177.07866	2.1
177.10295	0.9
178.03271	0.6
178.08614	1.4
180.04741	1.7
181.06075	0.8
182.06380	0.6
184.04279	1.7
185.03746	2.2
190.03192	0.5
190.06833	0.8
190.08614	0.3
192.04788	11.9
194.06319	0.4
194.08107	1.3
195.41028	0.4
196.09682	0.4
199.15067	0.3
204.06535	1.4
205.07332	1.6
206.08206	0.9
210.05843	18.9
218.06290	1.3
218.08379	0.3
220.04335	2.0
223.08339	0.5
224.09178	9.9
226.10738	0.9
228.06876	2.8
231.04333	6.2
236.07451	0.4
238.05339	11.2
256.06387	100.0
257.06683	1.2
258.08008	0.7
264.06927	0.7
282.07935	6.7
288.06534	1.0
292.06400	1.2
299.10605	8.0
306.07574	0.6
309.09036	1.9
310.07455	7.6
327.10098	4.2
332.13657	1.0
339.08420	0.4
355.19431	0.4
365.11725	1.4
384.11853	0.5
402.08261	0.6
402.13327	10.3
438.13379	0.6
441.22498	0.4
456.14218	1.5
531.17700	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47096	1.2
55.05509	1.5
67.05501	5.2
69.07067	1.9
69.08187	1.3
70.06596	72.2
70.50006	1.2
71.07008	1.6
73.02919	1.3
77.24917	1.2
79.05488	3.3
81.07060	3.2
90.07059	1.9
91.05480	5.1
93.07049	3.7
95.08624	2.0
98.65999	1.3
105.07038	2.8
107.08608	5.4
109.10129	2.3
115.50139	1.3
116.07097	100.0
119.08588	35.5
124.08263	1.3
126.12693	1.3
131.66965	1.4
135.08083	5.1
135.11668	2.0
137.09586	1.4
145.10123	2.4
151.14206	1.3
159.07939	1.3
163.11197	1.5
332.27805	1.4
385.13101	1.4
415.21246	1.9
437.24692	2.2
452.97006	1.3
470.07574	1.3
530.35205	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	529.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03932	5.8
55.01872	3.0
55.05511	49.1
57.03209	1.5
57.03440	20.4
57.07075	41.3
58.65537	1.2
59.04993	2.6
59.68653	1.3
65.03925	3.9
67.05505	86.8
67.98075	1.5
69.03412	1.2
69.07069	66.4
71.04979	3.9
71.08297	1.8
71.08634	24.0
71.49943	1.8
73.06544	2.0
75.04472	4.1
77.03986	1.6
79.05492	53.7
81.03415	2.2
81.07056	100.0
83.04976	4.3
83.08617	49.2
85.06519	4.7
85.10182	13.6
87.04433	1.5
89.06015	3.8
91.05482	30.5
93.07046	60.5
95.04951	5.1
95.08609	77.0
97.06524	17.5
97.10172	27.5
99.08071	2.6
99.11675	1.9
101.05995	1.8
105.04537	1.9
105.07029	19.8
107.08598	33.2
109.10161	33.8
111.08089	9.3
111.11710	8.2
117.07013	12.3
119.08556	12.6
121.06464	1.6
121.10146	30.5
121.11004	1.1
123.08046	1.6
123.11697	12.2
125.09606	5.4
125.13268	2.3
129.07013	4.4
131.07021	2.6
131.08557	15.8
133.08554	1.8
133.10132	10.9
135.11684	23.4
137.13245	5.2
137.28021	1.3
139.11200	6.3
141.06950	2.3
143.08557	7.7
143.10628	2.4
145.10126	11.4
147.11703	6.8
149.13271	18.8
151.11162	1.2
153.12761	3.6
155.08530	3.3
157.10110	5.1
159.11665	10.6
161.13219	2.7
163.14799	4.3
167.14313	2.5
169.10106	3.2
171.11679	3.5
171.13788	3.0
173.13235	4.8
175.14775	1.4
177.16350	2.4
181.15912	2.5
183.11581	2.5
185.13326	2.7
187.14825	3.8
191.17851	2.8
194.47752	1.4
195.11685	1.3
195.13747	5.2
195.17464	2.5
197.13237	2.9
199.14905	2.5
199.16896	1.7
209.18994	3.4
213.16406	1.9
223.20528	2.8
234.90031	1.3
241.21700	1.5
249.22156	1.7
261.22247	2.2
277.71439	1.4
293.74585	1.4
317.32016	3.4
327.30322	1.5
335.33047	10.0
345.31497	9.4
363.32596	24.3
363.96768	1.4
381.33539	2.6
399.34692	45.2
419.32751	4.1
432.86340	1.7
437.36328	33.3
455.37335	47.2
511.39758	10.8
529.39319	94.1
530.39343	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
53.64442	1.3
55.01870	3.3
55.05511	54.1
57.03167	1.4
57.03437	29.1
57.07078	49.0
59.04990	2.8
60.70966	1.5
62.59501	1.4
65.03925	3.9
66.96542	1.2
67.05505	83.3
69.03444	2.1
69.07068	73.0
69.59978	6.9
69.60391	1.9
71.04973	5.8
71.08240	1.7
71.08630	31.0
72.11104	1.2
73.06525	1.4
75.04468	9.8
79.05492	46.9
79.65494	1.5
81.03409	2.1
81.07055	100.0
83.04967	5.8
83.08617	54.5
85.06525	4.9
85.10182	17.4
87.04465	1.5
89.06029	1.7
91.05480	23.3
93.07041	60.3
95.04949	6.7
95.08607	73.7
97.06525	18.1
97.10169	32.8
99.08094	2.4
99.11720	3.3
105.04527	2.4
105.07026	14.2
107.08592	35.1
109.06524	2.2
109.09382	1.6
109.10155	33.2
111.08077	10.8
111.11699	11.8
113.05997	4.0
115.07577	3.0
117.07021	5.0
119.08563	11.8
121.09335	2.6
121.10148	38.3
123.11723	17.8
125.09609	7.5
125.13300	2.5
129.06992	2.0
129.09062	2.5
131.07039	6.3
131.08546	11.5
133.10121	10.0
135.11694	28.4
137.13243	5.7
139.11156	6.4
143.08559	2.1
143.10588	1.6
145.10124	6.9
147.11682	5.7
149.13251	21.5
153.12695	3.7
155.08511	2.1
157.10141	3.3
157.12201	2.4
159.11688	6.5
161.13225	2.6
163.14867	9.4
167.08562	1.7
167.14307	5.2
169.10226	2.0
171.11629	2.2
173.13258	4.1
177.12831	1.6
177.16386	3.9
181.15877	2.3
185.15265	1.7
187.14857	2.1
191.18025	2.2
193.12328	1.5
195.13770	4.0
195.17439	1.8
197.13246	2.2
199.17043	1.5
209.19037	2.5
233.22844	2.5
237.22197	2.0
241.21606	1.6
246.74272	1.2
251.23589	1.7
261.22214	2.0
261.25439	1.4
265.25446	1.4
269.24783	1.8
285.67047	1.4
317.32123	4.0
335.33002	12.3
345.31522	11.5
363.28006	2.6
363.32559	36.5
364.32736	1.7
381.33878	1.9
399.34735	52.6
437.36307	33.4
455.37332	54.4
490.42776	1.4
511.39975	21.6
529.39600	73.4
530.39117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
55.01868	4.1
55.05513	54.8
57.03443	24.2
57.07079	53.4
59.04989	2.1
65.03931	4.8
67.05507	82.2
69.07072	72.7
71.04990	5.1
71.08635	32.8
73.06531	1.9
75.04492	6.6
79.05493	41.1
81.07057	100.0
83.04993	5.7
83.08621	59.3
85.06554	7.7
85.10188	18.5
87.04469	2.0
89.06027	1.6
91.05486	16.5
93.07044	54.1
93.18070	1.3
95.04987	3.1
95.08610	96.4
97.06537	17.5
97.10166	39.2
99.08113	4.5
99.11742	2.3
101.06050	3.3
105.07028	16.3
107.08598	33.6
107.16494	1.3
109.10161	38.6
111.08105	9.2
111.11734	11.3
113.06061	1.7
115.07555	3.0
117.07021	7.5
119.08572	10.5
121.10146	41.6
123.11678	15.6
125.09579	7.1
125.13274	3.3
129.07004	2.8
129.09122	2.5
131.07054	4.0
131.08543	10.3
133.10146	8.2
135.11693	30.0
137.13283	8.0
139.11189	7.9
143.08575	4.4
143.10655	2.0
145.10081	12.2
147.11702	5.1
149.09700	1.5
149.13266	17.5
151.14891	3.1
153.12782	6.3
155.08614	2.4
157.10092	3.3
157.12239	2.3
159.11667	9.7
161.13274	2.5
163.14861	5.9
167.14258	3.3
167.35493	1.7
171.11684	3.6
171.13879	1.6
173.13278	5.6
175.14845	2.3
177.16362	3.1
181.15866	4.3
183.11655	1.6
185.13272	2.7
185.15364	2.9
191.18001	2.3
195.13802	1.7
195.17400	2.1
197.13364	1.9
199.16853	2.0
205.19420	2.5
209.19020	2.3
213.18552	2.0
223.20631	1.8
227.19934	1.5
237.22249	2.9
261.22437	1.6
261.26144	1.5
265.25299	2.7
307.16190	1.5
317.32028	6.8
327.30515	4.0
335.33142	16.7
345.31583	14.4
363.32559	45.3
363.36856	2.9
369.93155	1.7
381.33560	3.2
399.34708	63.3
400.35037	1.7
419.33691	1.6
437.36276	46.2
455.37372	53.7
511.39929	15.2
529.40009	79.7
530.39252	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01877	2.4
55.05510	21.7
57.03430	5.0
57.07080	3.6
60.24092	1.2
65.03944	2.7
67.05508	68.9
69.07072	23.2
71.01353	1.1
71.05003	3.2
71.34892	1.1
79.05495	60.2
81.03422	2.2
81.07058	79.0
83.04997	4.4
83.08623	13.3
85.06537	3.4
89.10332	1.1
91.05478	31.7
93.07046	68.5
95.04966	6.1
95.08613	38.0
97.06519	8.4
97.10158	3.2
99.08080	3.4
103.24246	1.1
105.04562	2.4
105.07046	17.5
107.08592	30.2
109.06561	3.2
109.10171	14.0
110.92329	1.1
111.08086	5.0
111.11751	1.9
111.78192	1.2
112.17581	1.3
115.05469	1.3
117.07018	11.1
119.08596	14.5
121.06470	1.3
121.10155	28.8
123.11709	3.3
128.06209	1.4
129.07016	4.5
131.08577	17.8
133.10129	13.6
135.11691	13.6
139.11203	2.3
143.08598	3.4
145.10135	11.9
147.11667	8.1
149.13264	30.8
152.56609	1.2
155.08548	2.1
157.08954	1.1
157.10155	4.5
159.11700	16.8
161.13272	4.6
163.14795	1.9
163.21257	1.3
169.10095	2.3
171.11731	3.7
173.13200	5.7
175.14833	3.1
177.12767	4.3
185.13297	3.6
187.14854	4.3
192.54691	1.3
195.13855	6.3
197.13243	1.8
199.14828	2.8
201.16193	1.3
209.13371	1.5
213.14742	1.6
229.37410	1.2
243.21054	1.6
245.63380	1.2
261.22141	5.6
309.74155	1.2
317.24786	1.7
437.34012	9.5
455.35599	2.6
511.37540	2.2
529.38916	100.0
530.39551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57269	1.0
52.54866	0.9
53.03950	4.9
54.61018	0.9
55.01873	2.6
55.05513	18.4
56.41424	1.0
57.03440	5.3
57.07064	2.9
65.03943	2.9
67.05503	66.4
69.07073	19.4
70.74786	2.1
71.04995	3.9
71.08607	1.2
72.72293	1.0
79.05492	55.4
81.03404	2.0
81.07055	70.8
83.04987	4.6
83.08619	10.9
85.06538	2.6
91.05482	33.1
92.08837	1.0
93.07043	67.1
95.04961	4.1
95.08607	33.2
95.09090	0.8
97.06533	8.0
97.10163	2.9
99.08080	2.8
101.35683	1.2
105.04512	2.1
105.07030	20.3
107.04972	1.3
107.08592	33.3
109.06535	2.7
109.10155	11.6
111.08068	3.8
111.14129	1.1
117.07011	12.9
119.08577	15.8
121.06495	2.1
121.10136	25.1
123.08116	1.3
123.11716	3.8
128.06224	1.3
129.07019	2.8
131.08565	17.2
133.10146	13.7
135.11685	11.5
137.09631	1.6
139.11205	1.6
143.08580	4.6
145.10129	11.7
147.11670	5.9
149.13248	24.7
155.08554	2.0
157.10175	4.5
159.11688	15.2
161.13242	5.3
163.14841	1.9
169.10139	1.9
171.11716	4.2
173.13217	6.6
175.14780	2.4
177.12740	4.8
183.11717	1.4
185.13312	3.1
187.14847	3.5
195.13783	7.1
197.13338	2.1
199.14967	1.9
201.16402	1.6
209.13196	1.8
211.14964	1.6
238.11969	1.1
243.21066	2.0
253.14320	1.8
256.26297	2.4
259.20587	1.4
261.22018	5.3
264.62521	1.1
267.67221	1.0
419.33002	2.5
437.34201	4.9
440.89166	1.1
455.35452	1.8
473.36087	1.3
511.38409	2.0
529.38947	100.0
530.39172	2.1
533.98462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08388	1.2
53.03936	2.1
54.43735	1.3
55.01882	2.4
55.05519	10.5
57.03422	6.0
57.07082	1.7
67.05507	38.1
69.07063	10.3
69.34241	12.0
71.04979	4.0
79.05078	2.5
79.05497	34.4
81.03366	2.0
81.07055	25.3
83.04969	1.6
83.08611	4.8
85.06537	1.9
91.05482	93.2
93.07038	25.8
95.04948	6.3
95.08597	15.2
97.06522	1.7
97.10161	3.2
105.07034	54.3
107.08601	16.0
109.06528	1.5
109.10171	7.4
111.08106	1.7
115.05457	3.4
117.07024	10.6
119.08582	22.7
121.10135	11.3
123.11684	2.0
128.06194	5.1
129.06996	6.8
130.07790	1.7
131.08554	23.0
133.10132	100.0
135.11690	9.0
141.07013	3.2
142.07739	2.0
143.08562	10.4
145.10147	14.5
147.10687	1.7
147.11708	17.4
148.15468	1.6
149.09625	5.0
149.13260	4.3
149.95038	1.7
151.11156	6.4
155.08612	3.0
157.10153	7.2
159.08046	4.2
159.11729	8.7
161.09656	12.7
161.13249	14.7
163.11122	2.3
167.08591	2.2
169.10164	5.6
171.11716	9.9
173.13312	8.6
175.11156	1.9
175.14799	8.1
179.08542	2.0
179.10779	2.6
181.10085	3.9
183.11711	5.9
185.13280	5.5
187.14740	3.0
189.12724	1.9
193.10188	1.8
195.11610	2.9
197.11670	2.8
197.13295	3.9
199.14830	3.5
207.11766	2.7
209.13234	2.9
211.14671	2.9
213.16420	2.2
220.12291	1.6
221.13380	1.7
223.14874	1.6
239.17999	2.3
241.19559	17.2
251.12840	3.0
253.14320	25.5
259.20593	22.7
259.67941	1.4
261.16287	1.7
275.20242	2.3
275.74887	1.5
311.20078	1.6
315.23166	3.5
333.24222	24.6
347.35248	1.6
401.28482	2.7
419.29187	7.7
437.30359	6.8
455.31201	2.9
493.32718	2.8
511.34158	30.5
529.37299	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	529.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09409	0.2
52.56227	0.2
55.41305	0.2
55.78536	0.2
56.96556	0.3
70.06580	1.1
71.49339	0.5
72.08161	0.5
84.08141	0.4
85.64931	0.3
91.05453	0.4
97.02814	0.3
97.73997	0.2
98.97587	0.4
114.10352	0.3
115.05464	0.6
117.07034	1.9
119.04959	0.3
121.02840	0.3
129.10236	0.3
135.04399	0.4
140.07083	0.3
143.07307	1.3
144.08086	100.0
145.06523	0.3
145.08406	1.0
146.06009	0.2
155.06067	0.4
158.05963	0.3
161.10747	16.4
163.03886	1.0
169.73363	0.2
195.03069	0.4
202.08487	0.2
203.03455	0.4
221.01224	0.3
251.23558	0.3
264.10254	0.5
290.65845	0.3
295.06021	2.4
295.10855	0.4
295.36453	0.2
307.05991	0.5
325.07068	1.6
338.19406	0.3
349.07230	0.5
365.05441	1.5
379.08478	0.3
391.08167	0.4
409.09369	0.9
427.10220	1.8
529.20728	0.3
558.83063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37261	0.2
69.03426	0.3
70.06584	1.1
71.44995	0.3
71.48459	0.3
72.08146	0.6
84.08122	0.4
85.02912	0.4
86.09657	0.3
89.03889	0.4
91.05501	0.3
91.60350	0.2
109.02851	0.4
114.10308	0.5
115.05455	0.5
117.07030	2.4
119.04895	0.3
121.02874	0.4
129.10265	0.3
132.08064	0.5
135.04387	0.4
136.07561	0.3
138.05531	0.7
143.07317	1.6
144.08084	100.0
145.06506	0.4
145.08395	1.0
155.06084	0.3
158.05890	0.3
161.10747	15.0
163.03920	1.6
195.02927	0.3
203.03305	0.3
208.09654	0.4
252.10129	0.4
255.02946	0.3
264.10239	0.6
295.06055	3.4
295.09259	0.3
295.10757	0.3
307.05981	0.6
309.07507	0.3
321.07480	0.7
325.07147	2.3
335.09036	0.4
337.07318	0.3
340.53955	0.3
349.07050	1.0
379.08368	0.4
391.07953	0.9
398.57205	0.3
399.72824	0.3
409.09174	1.1
426.28305	0.4
427.10199	2.0
468.21576	0.2
485.33304	0.8
529.21051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37261	0.2
69.03426	0.3
70.06584	1.1
71.44995	0.3
71.48459	0.3
72.08146	0.6
84.08122	0.4
85.02912	0.4
86.09657	0.3
89.03889	0.4
91.05501	0.3
91.60350	0.2
109.02851	0.4
114.10308	0.5
115.05455	0.5
117.07030	2.4
119.04895	0.3
121.02874	0.4
129.10265	0.3
132.08064	0.5
135.04387	0.4
136.07561	0.3
138.05531	0.7
143.07317	1.6
144.08084	100.0
145.06506	0.4
145.08395	1.0
155.06084	0.3
158.05890	0.3
161.10747	15.0
163.03920	1.6
195.02927	0.3
203.03305	0.3
208.09654	0.4
252.10129	0.4
255.02946	0.3
264.10239	0.6
295.06055	3.4
295.09259	0.3
295.10757	0.3
307.05981	0.6
309.07507	0.3
321.07480	0.7
325.07147	2.3
335.09036	0.4
337.07318	0.3
340.53955	0.3
349.07050	1.0
379.08368	0.4
391.07953	0.9
398.57205	0.3
399.72824	0.3
409.09174	1.1
426.28305	0.4
427.10199	2.0
468.21576	0.2
485.33304	0.8
529.21051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12335	1.1
69.71137	1.3
70.73482	2.0
70.73812	1.8
91.05464	2.1
96.80157	1.5
105.31528	1.5
115.05387	1.7
117.05756	1.2
118.06542	15.8
118.74498	1.3
127.11201	1.6
130.06609	1.2
132.08101	3.5
142.06511	2.0
143.07268	2.1
144.08139	10.7
146.06021	57.9
159.09183	4.7
163.03951	1.2
170.06027	3.1
188.07076	100.0
205.09732	37.4
320.14514	1.2
347.98721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16521	0.3
52.45372	0.3
55.05501	0.6
56.05026	0.6
65.03937	0.7
67.05503	0.5
69.03417	0.4
69.07045	0.4
70.06594	5.3
71.33994	0.8
72.08150	2.9
74.06064	0.4
79.89783	0.4
81.03398	0.7
83.04970	1.7
84.08118	1.8
85.02890	1.5
86.09706	3.3
89.03908	1.2
91.05477	1.3
93.03390	0.9
93.51266	0.5
95.05006	0.6
97.02876	0.6
103.05489	0.4
107.04933	0.7
109.02847	0.5
110.07158	1.4
111.04436	2.8
115.05420	0.9
117.03369	1.9
117.05733	1.1
117.07014	3.2
118.06527	1.6
119.04927	0.8
120.08107	1.0
121.02851	0.9
123.04420	1.2
127.03974	0.6
129.10243	1.1
130.06532	0.9
130.09813	0.4
131.07321	0.5
132.08087	22.5
135.04382	3.5
136.07567	0.7
137.05977	1.6
139.03882	2.6
143.07341	1.5
144.08078	100.0
145.02841	3.9
145.08440	0.8
147.04475	0.6
155.06061	0.5
162.65065	0.4
163.03899	29.4
165.01862	1.6
175.12305	22.3
175.13861	0.9
184.07498	0.5
187.03815	0.6
190.04031	0.4
198.05486	1.9
246.09071	0.5
250.08586	0.5
264.10193	1.5
271.06091	0.4
278.11914	0.6
283.05981	7.1
294.11160	1.5
295.06000	1.1
295.09363	0.5
297.07596	0.6
308.06726	1.1
309.07495	1.4
313.06882	0.5
323.09128	2.3
324.09589	0.4
333.07690	1.2
337.09534	0.5
355.10281	1.0
361.07004	1.5
366.99023	1.4
379.08170	5.5
385.00211	0.5
397.09164	0.6
403.01077	0.5
498.17719	4.7
505.89389	0.4
512.18903	1.0
529.09644	1.3
529.21735	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	529.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05526	1.0
65.03938	1.6
67.05502	3.3
69.03442	1.7
69.07070	0.9
69.55771	2.7
69.56197	3.5
70.06588	4.1
72.08160	1.7
81.32861	1.0
83.04993	4.9
84.08160	1.5
85.02899	2.2
86.09712	9.2
89.03913	2.5
90.16988	0.9
91.05485	2.4
93.03420	2.2
95.04972	2.3
95.19753	0.8
110.07187	1.2
111.04447	8.8
115.05463	1.6
117.03387	4.3
118.06501	1.4
119.04941	1.6
121.02863	2.1
123.04433	37.0
129.07025	1.9
130.06543	7.4
132.08112	6.4
135.04431	6.9
136.07631	1.3
137.02457	1.3
137.06013	4.3
139.03925	11.3
143.04922	1.7
144.08089	42.6
145.02802	6.0
147.04442	8.8
154.06544	1.5
154.77730	0.9
156.08113	10.9
160.07687	1.0
161.06003	3.2
163.03917	59.1
168.08092	9.8
170.05960	2.0
175.12233	6.6
178.48628	1.0
181.84166	1.3
184.07600	26.2
188.07130	2.9
196.07565	13.9
198.05536	1.4
202.08694	1.5
217.08824	1.2
218.09648	17.6
232.11232	1.6
236.10716	1.5
246.09181	19.3
249.07869	39.9
250.08386	1.1
252.10251	1.4
260.10748	1.4
262.08789	1.3
263.09549	2.5
264.10202	74.8
265.10681	1.6
278.11853	4.0
282.11118	1.0
283.05981	1.0
294.11322	1.2
295.05945	4.4
298.40305	1.0
306.11264	19.9
307.06119	1.7
309.07492	0.9
321.07639	2.8
324.12390	6.2
325.07098	2.9
333.07773	1.2
349.07169	2.3
355.10251	1.2
361.07162	1.6
379.08261	2.2
380.17645	1.2
391.08160	2.6
409.09256	2.7
427.10449	4.0
433.09323	1.1
480.16589	2.0
486.18335	1.0
498.17633	100.0
499.17834	1.7
511.12265	3.4
529.21844	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	528.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57338	1.0
52.09886	1.2
55.01861	1.1
55.05503	5.6
57.07079	53.4
59.05002	21.2
67.05504	5.4
69.07072	5.1
71.08633	100.0
72.20631	1.0
73.06544	2.4
79.05505	5.6
81.03419	1.9
81.07049	6.4
82.07413	1.5
83.08637	2.5
85.10184	55.4
87.04472	6.9
89.06031	90.5
91.05489	5.8
93.07051	4.4
95.04951	1.8
95.08612	3.8
97.06551	1.4
97.10174	2.1
98.21506	3.1
103.07573	5.2
105.07020	4.4
106.07413	1.2
107.05020	1.1
107.07082	1.2
107.08583	4.3
111.11750	1.3
117.07020	1.9
117.09129	1.6
118.41831	1.1
119.08584	2.7
121.10146	1.4
127.14828	8.1
129.07027	1.7
130.08670	1.0
131.07059	5.2
131.08568	2.8
131.10703	1.1
133.08607	69.0
133.10098	2.4
134.10468	1.2
135.11690	1.8
155.08601	1.4
157.10158	1.3
159.11673	2.2
174.13536	1.2
175.09726	2.6
177.11220	27.5
185.13120	1.5
185.18988	7.8
221.13818	6.4
229.21646	3.1
239.14885	2.4
265.16553	1.2
275.20166	3.1
289.25131	1.3
309.19113	2.3
327.20145	23.2
367.23285	2.8
371.22794	2.2
385.24377	1.3
387.95328	1.2
405.21762	1.2
436.33054	2.6
454.33810	1.3
501.88428	1.1
508.74017	1.2
510.36322	1.9
511.38440	3.6
528.37451	12.9
529.35162	1.7
542.95404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76498	1.3
55.01871	1.7
55.05513	10.9
57.03439	6.3
57.07079	12.8
59.04996	3.4
61.02913	3.9
67.05504	2.7
69.03429	14.2
69.07068	57.8
70.06598	2.5
70.67213	3.2
71.04990	5.4
71.08637	8.4
73.02918	21.7
73.06559	8.1
79.05481	1.9
81.03403	2.7
81.07059	2.9
83.08624	3.6
85.02909	21.6
85.10172	5.8
86.09697	3.4
87.04467	1.8
87.99640	1.3
89.06036	31.8
91.05482	2.2
93.07047	3.5
95.08604	2.6
97.02900	17.8
103.03953	1.9
109.02885	2.0
109.10149	1.9
111.11726	89.3
115.03932	7.4
116.03398	1.5
127.03913	5.6
129.12756	100.0
133.04991	8.6
145.04956	7.1
147.04434	2.1
151.11211	1.5
163.05989	2.5
164.75259	1.5
199.16925	21.7
217.17986	29.2
223.06058	2.3
227.12523	1.6
233.00526	1.6
514.69244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	1.2
66.33013	1.4
66.47956	1.2
69.07075	11.0
69.63291	1.4
70.02950	3.4
70.06580	4.4
70.97931	2.9
81.04530	1.4
82.02928	3.8
84.08138	2.2
86.09711	100.0
87.05569	2.5
88.79162	1.2
91.05464	1.3
97.04010	5.8
98.02407	3.5
99.05566	2.6
109.04024	3.0
110.02462	1.3
118.06528	1.9
119.04934	1.3
121.06518	1.3
123.04424	2.3
123.05565	2.5
124.05070	5.7
125.03501	6.6
126.06602	3.2
132.10159	2.9
135.01875	1.7
135.05484	1.6
136.05054	2.0
141.02989	1.9
141.10234	1.8
142.06129	7.8
144.08057	1.7
146.06053	1.7
150.06648	2.7
151.05005	3.1
152.04555	12.1
155.11774	2.1
163.03926	1.9
166.08640	3.2
170.05606	3.0
178.06131	2.4
179.05667	2.6
183.11330	1.8
197.06554	2.1
200.14029	1.7
204.04050	2.1
210.12440	2.4
218.12978	2.4
221.06723	2.6
226.11740	1.9
232.10820	1.6
233.27420	1.3
236.13916	1.9
238.09430	2.9
238.11896	6.5
239.07913	1.5
245.18660	3.0
246.09471	1.5
246.12357	1.9
247.12047	1.9
249.06172	3.6
249.13518	4.4
255.14525	3.4
255.17056	1.6
264.10251	2.5
264.13248	1.7
266.08792	12.7
266.11386	9.4
267.07312	2.2
274.11960	2.4
278.58884	1.2
283.13968	5.1
284.10007	6.7
291.14542	8.4
308.16705	1.8
309.15573	3.8
319.14029	5.7
334.14981	6.2
335.13431	1.6
336.16678	7.4
345.11844	1.6
351.17755	7.0
352.16284	3.2
362.14691	3.2
363.13104	2.4
366.07068	1.5
366.12296	1.4
369.18884	2.6
379.17169	21.3
380.15613	2.6
397.21036	2.0
498.17697	2.2
510.17715	1.8
528.17590	1.6
528.24731	1.8
529.21643	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	528.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	1.2
66.33013	1.4
66.47956	1.2
69.07075	11.0
69.63291	1.4
70.02950	3.4
70.06580	4.4
70.97931	2.9
81.04530	1.4
82.02928	3.8
84.08138	2.2
86.09711	100.0
87.05569	2.5
88.79162	1.2
91.05464	1.3
97.04010	5.8
98.02407	3.5
99.05566	2.6
109.04024	3.0
110.02462	1.3
118.06528	1.9
119.04934	1.3
121.06518	1.3
123.04424	2.3
123.05565	2.5
124.05070	5.7
125.03501	6.6
126.06602	3.2
132.10159	2.9
135.01875	1.7
135.05484	1.6
136.05054	2.0
141.02989	1.9
141.10234	1.8
142.06129	7.8
144.08057	1.7
146.06053	1.7
150.06648	2.7
151.05005	3.1
152.04555	12.1
155.11774	2.1
163.03926	1.9
166.08640	3.2
170.05606	3.0
178.06131	2.4
179.05667	2.6
183.11330	1.8
197.06554	2.1
200.14029	1.7
204.04050	2.1
210.12440	2.4
218.12978	2.4
221.06723	2.6
226.11740	1.9
232.10820	1.6
233.27420	1.3
236.13916	1.9
238.09430	2.9
238.11896	6.5
239.07913	1.5
245.18660	3.0
246.09471	1.5
246.12357	1.9
247.12047	1.9
249.06172	3.6
249.13518	4.4
255.14525	3.4
255.17056	1.6
264.10251	2.5
264.13248	1.7
266.08792	12.7
266.11386	9.4
267.07312	2.2
274.11960	2.4
278.58884	1.2
283.13968	5.1
284.10007	6.7
291.14542	8.4
308.16705	1.8
309.15573	3.8
319.14029	5.7
334.14981	6.2
335.13431	1.6
336.16678	7.4
345.11844	1.6
351.17755	7.0
352.16284	3.2
362.14691	3.2
363.13104	2.4
366.07068	1.5
366.12296	1.4
369.18884	2.6
379.17169	21.3
380.15613	2.6
397.21036	2.0
498.17697	2.2
510.17715	1.8
528.17590	1.6
528.24731	1.8
529.21643	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	527.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.7
57.03431	5.0
57.07079	92.9
58.04226	6.5
59.04719	3.0
59.05005	58.9
63.23498	1.3
67.05495	4.7
68.24029	1.2
69.03407	1.3
69.07062	5.5
71.04979	3.1
71.08633	100.0
71.50167	2.0
72.05776	3.4
73.02909	4.1
73.06548	2.0
79.05509	2.8
81.03431	2.9
81.07056	4.4
83.08622	6.1
85.06541	1.5
85.10185	88.6
86.07313	1.3
87.04478	7.5
87.08112	2.0
89.06032	12.1
90.01913	26.8
91.05479	2.6
92.61665	1.3
92.82333	1.3
93.07037	4.8
95.08588	3.2
97.10182	3.9
99.08073	1.9
99.11742	9.7
100.08853	2.4
101.06033	4.5
101.09668	6.5
103.07594	1.8
105.07021	2.8
106.10634	1.3
107.08543	2.4
109.10128	3.4
111.11756	1.6
113.28716	1.3
115.07577	2.9
117.07040	1.2
117.09141	16.0
121.08617	1.5
121.10136	1.6
131.08560	1.1
133.08614	5.2
133.10150	1.8
138.14032	1.8
141.16379	11.5
151.07520	1.5
169.15898	4.7
177.11131	1.3
178.07124	2.2
196.08223	1.3
196.61395	1.4
198.19872	2.3
199.20580	18.2
212.74512	1.1
222.09712	3.1
227.20203	1.5
237.16948	1.5
240.23282	1.5
257.24774	13.1
314.78146	1.4
327.20206	2.0
328.20349	1.7
336.41647	1.3
440.22626	1.6
481.05768	1.4
527.37579	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	527.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
56.51261	1.2
57.03427	3.1
57.07077	100.0
58.04213	5.5
59.04721	1.6
59.05001	31.8
67.05499	2.8
69.07056	4.3
71.08632	78.6
72.05761	1.5
73.02892	1.5
73.06533	3.5
79.05444	1.1
81.03403	1.3
81.07068	1.5
83.08612	2.1
84.39211	1.0
84.68575	1.0
85.10184	60.6
86.07304	2.8
87.04453	4.4
87.08092	2.5
89.06032	8.3
90.01413	1.6
90.01923	17.6
93.26589	1.1
95.08595	1.3
97.10145	3.1
99.11732	14.1
100.08907	1.7
101.06039	1.2
101.09641	2.5
103.07567	2.3
106.75256	1.1
109.10147	1.6
113.13286	3.8
116.08373	1.2
117.09134	8.7
133.08607	3.0
152.15601	2.1
155.17941	8.3
159.10292	1.1
164.42223	1.1
164.58110	1.1
174.98325	1.0
178.07143	1.4
183.17442	4.3
212.21339	1.2
213.22141	11.4
222.09700	6.3
229.38170	1.3
240.10849	2.2
271.26355	3.3
298.14981	2.2
373.77435	1.0
376.34488	2.2
449.99207	1.0
527.38538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03942	4.5
55.01875	3.1
55.05515	19.4
57.03446	3.6
57.07090	3.5
57.07310	0.6
58.43864	0.5
59.04984	0.7
60.72689	0.6
65.03920	2.1
67.05508	38.9
69.03425	1.6
69.07072	9.1
71.04993	1.3
71.08630	1.3
77.03931	1.0
79.05497	33.1
81.03420	37.2
81.07061	30.7
83.04976	4.0
83.08618	13.9
85.06541	1.5
89.06032	0.9
91.04916	0.9
91.05487	25.3
93.07047	30.5
95.04978	12.0
95.08612	23.5
97.02889	1.0
97.06519	1.8
97.10166	10.5
99.08076	1.2
103.05428	0.8
105.04482	1.1
105.07033	21.6
107.04949	3.4
107.08596	19.3
109.06528	2.1
109.10164	12.5
109.13804	0.7
111.08078	4.9
115.05448	2.0
116.06241	0.8
117.07017	9.5
119.08583	18.6
121.06500	1.8
121.10144	13.8
123.08075	1.7
123.11717	2.5
125.09631	7.9
128.06235	2.1
129.07005	10.1
130.07794	1.1
131.08571	18.9
133.06516	1.4
133.10144	11.5
135.08069	2.1
135.11694	7.7
137.09624	1.7
139.11264	0.7
141.06973	2.5
142.07790	2.6
143.08577	6.9
144.09326	0.9
145.10121	12.0
147.08041	1.8
147.11694	9.3
149.09657	3.7
149.13263	4.7
155.08553	5.1
157.10130	11.1
159.11702	8.5
161.13278	3.9
163.11137	1.0
163.14851	1.3
165.12827	1.0
167.08614	1.3
169.10156	5.1
171.10362	1.1
171.11694	5.0
173.11852	1.0
173.13269	5.8
175.11156	4.7
175.14886	2.2
179.08681	0.9
181.10139	2.5
183.11734	4.2
185.13257	4.8
187.11157	0.9
187.14830	2.8
189.11209	3.6
189.12677	0.7
189.16344	0.9
193.10426	1.2
193.12245	20.2
195.11717	2.8
197.13318	3.7
199.14839	2.7
201.16414	1.5
207.11693	0.7
209.13264	2.4
211.14847	3.3
213.12897	0.7
213.16417	0.8
221.13205	1.3
221.15262	0.8
223.14853	1.6
225.16487	1.2
235.14764	1.1
237.16409	1.0
239.17870	0.8
243.21124	1.8
249.14890	2.6
251.17757	0.8
255.21262	0.7
261.22174	7.1
267.15878	1.1
269.19006	0.9
271.02542	0.6
271.17059	0.6
295.20325	0.8
297.22351	1.0
299.23740	2.5
301.25146	3.4
310.39093	0.7
311.23657	0.9
317.24826	1.9
327.23309	1.3
341.24707	1.1
408.61426	0.7
417.31677	3.2
435.32556	11.8
453.33701	10.2
471.34714	7.3
473.34485	0.9
509.36679	4.0
527.37329	100.0
528.37994	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03952	3.2
55.01868	2.4
55.05511	17.1
56.73820	0.5
57.03424	2.3
57.07064	1.4
59.04989	0.8
65.03922	2.1
67.05504	34.3
69.03409	2.0
69.07068	9.1
69.57095	3.3
70.58927	0.6
71.04977	2.1
77.03891	0.8
79.05495	29.0
81.03418	29.3
81.07055	28.8
81.07459	0.4
83.04986	3.0
83.08617	11.5
85.06545	1.3
86.93383	0.5
91.05479	22.8
91.27355	0.6
93.07043	26.3
95.04975	8.5
95.08604	19.0
97.06540	2.0
97.10162	8.3
98.20648	0.6
98.38576	0.6
103.03895	0.6
105.04479	1.0
105.06306	1.0
105.07029	18.5
107.04945	2.7
107.08587	15.7
107.09308	0.8
109.06512	1.6
109.10149	10.2
111.08087	2.6
115.05456	1.5
117.07019	9.1
119.06171	0.6
119.08582	17.2
121.06508	1.4
121.10125	10.4
121.10923	0.9
121.79100	0.6
123.08066	2.1
123.11687	1.8
125.09633	5.5
128.06218	2.5
129.07007	8.2
131.08572	16.3
133.10133	10.2
135.08072	1.4
135.11682	7.7
137.09621	1.8
139.11214	0.9
141.06985	2.1
142.07791	2.6
143.08563	9.6
145.10117	13.0
147.08040	1.2
147.11685	7.0
149.09625	2.1
149.13266	3.4
153.09096	0.8
154.07721	0.8
155.08542	5.2
156.09384	0.9
157.10138	11.3
159.11700	11.6
161.09518	0.8
161.13219	3.0
163.14822	1.2
167.08609	2.1
169.10147	6.2
171.11697	9.0
173.09555	0.8
173.13225	6.4
175.11208	3.4
175.14851	2.0
177.05530	1.0
177.12793	1.0
179.08568	0.9
179.14304	0.9
181.10088	3.6
183.11674	6.5
185.13257	6.6
187.14787	3.1
189.11218	3.4
189.12721	1.1
193.10410	1.1
193.12245	12.6
195.11720	3.1
197.13252	4.2
199.14886	3.9
201.12921	0.7
201.16451	1.3
207.11732	1.3
209.13272	2.7
211.14815	2.8
213.12842	0.7
213.16357	1.9
213.18282	0.8
215.17889	1.0
221.13243	1.1
223.14914	1.8
225.16364	1.7
227.18147	0.8
233.15407	0.7
235.14830	0.9
237.16414	0.8
239.17824	0.6
243.21207	1.0
249.07762	0.6
249.14842	1.9
257.18982	0.9
259.20700	1.0
261.22092	4.4
267.15680	1.0
269.18954	0.8
275.20117	0.8
281.22556	0.6
283.20844	0.6
283.24146	0.7
285.22171	1.0
297.22058	0.8
299.20456	0.6
299.23752	1.9
301.21933	1.1
301.25229	3.8
309.22061	1.1
311.23672	0.7
315.22766	0.7
317.24844	1.3
323.23758	0.9
327.23203	0.7
347.24011	0.8
349.25269	0.6
407.33121	1.0
417.31445	2.7
435.32642	10.8
453.33563	10.5
471.34839	6.4
491.35425	0.9
509.36160	4.6
527.37329	100.0
528.37628	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92483	0.3
52.72531	0.3
53.03939	0.3
53.06576	0.3
55.05504	0.3
61.72716	0.2
67.05499	0.6
69.03426	0.4
70.05956	0.8
70.06329	0.4
70.06597	1.7
71.00552	0.3
71.04974	0.3
71.46056	0.2
72.08136	0.5
74.15602	0.3
79.05495	0.5
81.03413	0.6
81.07052	0.6
83.04981	0.3
84.04504	0.4
84.08138	0.6
85.02898	0.4
86.09683	1.1
91.05492	0.6
93.07066	0.6
95.08598	0.5
95.20473	0.3
97.02913	0.3
97.06499	0.3
105.07040	0.4
109.10202	0.4
110.09731	0.3
116.21140	0.3
119.08548	0.3
120.08093	1.0
121.10171	0.4
123.04429	0.3
125.28887	0.3
127.03880	0.5
129.10208	0.5
131.04901	0.3
133.06526	0.4
137.05989	0.6
138.09113	0.4
147.04427	0.5
149.09601	0.4
154.69884	0.3
166.08618	0.9
181.04947	0.3
214.04834	0.3
223.64539	0.3
275.07413	0.4
309.13779	0.3
335.09525	2.2
361.14078	0.5
362.14291	0.6
395.20413	4.7
527.24609	100.0
528.24890	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	527.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39404	0.7
51.64856	0.7
55.01869	1.6
55.05510	1.5
58.06586	1.3
65.03948	2.0
66.81789	0.8
67.05492	3.6
69.03422	1.2
70.06581	5.8
71.50687	1.5
72.08138	1.9
74.06071	1.0
81.03400	0.8
83.04980	4.7
84.04516	1.2
84.08128	3.3
85.02901	2.8
86.09695	4.4
87.03513	0.8
87.04457	2.3
89.03954	0.8
91.05455	0.8
93.03395	1.3
93.07075	0.9
95.05009	1.0
95.08607	1.1
97.02914	1.2
109.02890	0.8
110.07167	1.2
111.04434	3.2
118.06490	1.0
118.74034	0.9
120.08082	2.1
122.79891	0.8
123.04426	2.9
127.03890	1.2
129.10165	1.3
130.06573	4.3
132.08052	1.4
135.04410	13.4
136.07584	2.3
137.02345	7.3
139.03896	2.1
142.06517	1.0
144.04414	1.4
144.08087	3.3
146.06027	1.6
147.04433	4.1
151.43652	0.7
152.07094	2.5
156.08099	5.2
158.06012	4.9
158.08426	1.8
161.05991	1.4
163.03902	3.5
166.08649	3.1
167.07332	6.2
168.08044	2.6
173.09476	1.1
173.10771	6.6
180.08052	6.1
194.08107	2.9
194.09683	1.8
203.08521	0.9
204.08078	18.0
212.09099	0.8
216.07964	0.8
217.09039	0.9
218.09662	1.7
221.28969	0.9
222.09137	3.6
227.11737	0.8
230.09621	9.4
232.07559	18.9
233.08331	2.5
234.09076	1.9
236.07126	1.3
246.09190	2.0
248.10748	2.3
249.07819	1.9
250.08632	100.0
251.09125	1.6
257.08414	1.1
258.09094	8.6
261.07828	0.9
262.08682	3.7
264.10168	6.1
266.11652	2.2
274.08545	1.1
276.10159	17.5
277.07477	1.1
278.08221	4.5
286.08594	3.6
289.07349	1.6
292.09665	26.1
293.12793	2.1
297.58237	0.8
304.09689	19.9
310.10657	3.6
317.12946	2.0
317.28458	0.8
322.10709	2.8
335.13943	9.3
470.14413	7.1
484.16031	44.4
496.16068	12.1
527.20148	38.0
528.20325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.7
56.05031	4.6
57.74047	4.0
58.08311	3.7
66.67899	3.4
68.05013	16.3
69.03438	6.6
70.06590	9.3
70.99941	9.8
73.23590	3.9
84.04511	4.2
85.02909	10.1
85.04028	100.0
90.70226	3.5
91.05473	11.1
94.02937	17.8
95.01323	42.6
96.04504	11.3
97.02909	4.1
97.04010	63.5
99.05566	15.3
106.06545	9.1
107.02441	9.6
107.04958	52.6
108.04505	5.5
109.03988	18.3
111.05566	18.2
113.02392	11.4
114.87508	4.4
119.04939	18.7
121.03989	8.7
121.06526	4.3
122.22616	4.3
123.04440	25.5
123.05468	6.2
124.04025	5.2
125.03491	8.0
126.05517	5.4
126.06667	4.7
127.05051	6.1
128.10483	3.6
131.06058	6.3
134.06020	9.5
135.01891	4.9
136.07585	95.7
137.02408	7.8
137.03442	56.2
139.05019	6.3
140.03459	6.8
140.08174	4.9
143.04518	8.7
146.05994	4.7
147.04454	9.6
147.05519	9.4
149.03452	14.5
150.05511	7.8
151.05075	5.8
153.03008	4.6
161.07056	8.3
162.05469	7.9
163.03891	7.5
163.05119	4.6
165.03011	4.9
165.05437	38.0
165.06499	4.8
167.04565	4.6
168.06522	5.9
170.04430	9.8
174.06779	7.6
175.05057	11.4
177.02951	6.3
177.06635	7.8
178.06154	10.7
179.04433	4.1
180.06602	7.1
181.02463	29.2
182.06625	6.9
182.08127	56.7
183.04044	7.2
187.04948	6.3
191.08116	6.6
193.06161	18.3
195.04001	6.6
195.35579	4.2
198.07527	4.5
202.06111	45.2
203.04503	33.8
204.07613	9.6
205.06148	5.0
211.03534	5.4
211.07121	37.1
220.07132	32.8
222.08740	6.4
223.07140	5.5
229.08192	55.3
231.03897	19.6
237.08673	37.5
238.08139	6.1
240.22000	4.5
249.05113	7.1
255.06122	18.5
264.83826	3.9
267.06137	12.1
273.07095	21.7
285.07166	6.1
305.11301	10.4
318.10706	4.6
330.10870	26.4
348.11850	12.1
365.14432	4.9
366.11008	6.5
367.16376	4.1
387.12305	4.5
405.12845	8.4
411.12909	21.2
412.11404	9.0
429.13934	22.4
430.12292	13.2
447.15140	10.6
448.13388	17.9
465.16336	18.4
510.13718	7.6
527.10016	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	525.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	1.0
53.03941	3.0
53.22515	0.9
55.01865	1.1
55.05514	14.8
57.03421	1.2
57.07077	55.0
59.04990	1.8
63.83384	0.9
65.03925	3.3
67.05507	92.4
69.03436	2.0
69.07069	16.7
71.04996	65.7
71.08633	37.8
71.50327	1.6
75.45567	1.1
77.44477	0.9
79.05496	20.4
81.03411	1.2
81.07061	36.8
81.47978	1.0
83.04984	10.6
83.08153	1.5
83.08620	16.7
85.06544	4.9
85.10185	18.9
87.04494	1.3
89.06054	2.0
91.05482	26.5
93.07044	27.8
93.07644	1.5
93.44904	0.8
95.04962	4.1
95.08611	44.5
97.06538	6.0
97.10168	7.2
99.08076	1.4
99.11742	1.2
105.04549	1.7
105.07041	2.3
107.08598	10.9
109.06541	1.8
109.10161	77.5
111.08084	1.4
117.07035	3.2
119.08582	18.5
121.10157	6.8
123.11728	7.0
133.08632	1.1
133.10143	1.2
135.08089	1.9
135.11703	20.5
137.08565	1.4
137.09618	27.6
137.13255	2.6
145.10112	5.1
151.11148	2.1
151.14926	1.4
155.09616	1.0
155.10638	5.3
163.11201	4.7
165.12866	1.1
169.12250	9.7
173.11757	3.0
178.92526	0.9
181.12238	5.8
187.13362	1.5
197.60748	1.1
213.14906	1.8
214.43971	1.1
239.16789	1.2
239.23686	10.1
243.16119	1.3
255.16087	1.7
269.17526	4.2
271.15384	4.8
287.39975	1.0
313.27509	3.1
327.28384	1.1
339.29004	4.4
341.27036	3.8
431.96014	1.3
481.38953	32.0
493.38797	1.4
525.41565	100.0
526.41791	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12031	4.5
55.05502	16.2
57.03437	7.2
57.07064	13.3
60.95256	3.9
62.81110	4.1
64.62279	3.4
67.05513	36.4
69.03418	13.7
69.07076	30.1
69.30756	15.4
69.31187	13.9
70.06578	19.1
71.04973	5.8
71.25352	3.8
72.08154	4.7
74.20654	3.7
79.05479	17.0
81.03404	10.4
81.06598	5.4
81.07064	76.4
81.26327	3.6
83.08630	11.9
84.08086	7.2
85.02904	12.9
85.06548	100.0
86.09677	15.1
91.05472	16.5
93.07066	26.3
95.04963	5.9
95.08620	49.6
95.71252	3.5
97.10179	10.2
98.20799	6.7
99.04446	5.0
99.08073	11.7
105.07021	12.8
107.08596	33.9
109.06435	4.0
109.10176	46.6
111.08098	8.3
113.09678	4.1
117.07040	6.0
118.66383	3.7
119.08592	9.8
120.08088	8.3
121.06409	3.7
121.10179	19.9
123.04435	8.4
123.11712	25.3
125.09619	9.7
127.03913	4.6
129.10220	4.0
131.08606	6.9
133.10136	8.8
135.08102	4.6
135.11676	18.4
137.05959	5.7
137.09552	4.3
137.13237	11.6
139.03883	8.9
145.10133	5.0
147.11697	8.3
149.09604	4.0
149.13240	17.9
151.14847	6.2
161.13242	5.3
163.14825	12.3
177.16399	4.9
187.06023	10.2
191.18022	4.8
198.32263	4.1
203.18053	4.6
228.05898	3.9
273.25677	4.5
279.26822	14.6
283.06125	4.0
291.26852	40.4
295.83182	3.8
297.27905	21.9
305.02029	3.6
309.27933	27.4
327.28952	16.3
335.09518	7.6
345.30096	7.4
347.39774	3.8
349.23502	8.4
352.78519	4.6
355.11859	5.9
395.10449	4.0
525.07660	4.1
525.22919	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	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.9
56.05051	9.2
57.03421	9.3
59.04976	9.9
61.57935	8.1
62.52172	8.2
67.05508	55.5
69.03420	26.7
69.07059	40.3
70.06591	34.5
71.04966	15.7
71.49548	14.0
72.08145	14.0
79.05489	33.6
80.00994	9.4
81.07060	100.0
83.08600	17.2
84.08142	31.1
85.02892	18.7
85.06547	21.1
86.09700	36.0
91.05475	38.0
93.07047	31.7
95.04955	20.4
95.08616	70.5
95.61489	9.2
97.02880	10.3
97.06499	14.8
97.10130	11.7
99.04459	9.5
99.08137	8.4
100.11237	10.4
105.07016	24.3
107.08582	32.3
109.02881	13.5
109.06522	10.7
109.10161	52.2
109.79910	8.1
111.11678	8.3
119.08572	15.7
120.08094	13.5
121.10123	25.7
122.38927	9.3
123.11707	32.7
127.03947	12.7
129.10178	11.9
131.08597	13.6
133.10107	22.0
135.07999	13.4
135.11711	27.7
136.07538	13.4
137.06018	16.7
137.09534	13.6
137.13191	9.7
146.06039	9.9
149.13181	16.5
151.03925	15.7
171.11603	10.5
175.14627	9.5
233.18922	10.6
240.56577	8.5
274.69861	11.2
291.26834	30.6
292.69608	9.4
309.27844	39.9
319.81271	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	525.2519
Annotation	Thr Tyr Leu Glu
Peak:m/z	Relative Intensity
50.58962	0.3
63.52715	0.4
69.03419	0.4
69.07074	0.4
70.06596	2.9
71.49435	0.6
72.08156	0.8
84.04505	0.8
84.08139	0.7
86.09703	1.8
97.02885	0.6
105.06995	0.3
136.07587	0.4
138.05518	1.1
139.05870	0.5
144.08076	2.6
162.95659	0.4
181.12325	0.6
183.14911	0.4
209.04837	0.4
223.13278	0.6
224.13605	1.1
239.65102	0.4
326.14175	0.4
327.14563	1.3
363.19867	11.1
405.21155	0.4
442.38904	0.4
525.25208	100.0
526.25769	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	524.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.0
57.03433	3.6
57.07077	100.0
57.62248	1.2
59.05001	51.4
67.05502	3.5
69.07063	4.4
69.49053	8.9
70.06566	1.3
71.08633	67.6
79.05470	2.2
81.03416	2.1
81.07055	4.4
83.08623	4.1
85.02897	1.4
85.10188	61.0
89.06026	1.2
93.07066	1.3
95.05021	1.3
95.08623	3.2
97.10165	3.8
99.11730	9.4
101.06021	1.4
101.09651	3.8
103.07580	5.1
105.07066	1.7
111.11691	1.6
113.13292	5.2
115.07547	2.4
117.09132	19.3
119.08597	1.7
141.61430	1.1
152.79887	1.3
155.17946	8.6
161.11740	2.6
197.08099	1.8
208.52269	1.0
211.13391	1.7
213.22176	13.4
219.15810	1.1
256.26526	2.1
271.26300	16.6
295.26193	1.5
358.85229	1.2
524.40271	6.4
524.50507	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	524.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
57.03426	4.4
57.07078	98.7
59.05002	89.4
59.05272	1.7
67.05492	1.7
69.07081	3.3
69.21837	5.4
69.22248	10.9
71.08633	100.0
76.53831	1.5
78.61064	1.5
81.07073	4.0
81.77896	1.8
83.08601	4.0
85.10184	92.6
87.04474	2.4
89.06040	1.6
91.42728	1.5
95.08610	1.8
97.10159	3.0
99.11734	12.4
101.09647	7.4
103.07585	3.8
115.07520	1.8
117.09135	31.5
124.34825	1.6
125.70000	1.4
141.16357	8.4
175.13341	5.8
188.38322	1.6
199.20578	17.3
213.22084	2.1
257.24756	21.1
260.99658	1.9
271.26331	2.9
315.29123	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	524.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51550	0.8
54.60110	0.9
55.05510	3.6
57.03426	1.8
57.07079	100.0
57.37613	1.0
58.07398	1.3
59.04713	2.0
59.05006	36.3
63.84035	0.9
67.05491	3.9
69.07066	4.6
71.08635	72.3
71.50031	1.8
73.02921	32.5
79.05515	1.4
81.03416	2.3
81.07053	5.5
82.03751	1.1
83.08632	4.7
85.02926	1.4
85.10186	59.6
87.04483	2.5
89.06049	2.9
89.16071	1.0
90.95013	1.2
91.05460	2.5
93.07049	1.7
95.08627	3.5
96.08998	1.0
97.10200	4.7
99.11740	11.4
101.09646	2.5
105.07008	2.7
107.08582	1.9
109.10167	1.4
113.13274	5.2
117.09138	15.0
119.08555	1.9
121.10128	1.6
133.08623	1.4
147.11696	1.6
155.17958	7.8
161.08070	2.0
174.33093	1.0
193.12207	1.5
194.12601	1.0
209.13795	1.2
211.13293	2.4
211.80283	1.1
212.13695	1.1
213.22119	13.1
219.12364	0.9
257.24841	1.3
271.26331	14.1
296.70801	1.0
398.97916	1.0
456.38779	1.2
474.39355	2.9
524.40479	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	524.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.5
56.02757	0.9
57.03416	2.2
57.07079	100.0
58.82608	0.9
59.05003	30.2
67.05492	4.0
69.07077	4.9
71.04987	1.3
71.08635	77.9
71.50787	1.2
72.08929	1.2
73.02921	30.0
79.05493	3.0
81.03418	5.0
81.07045	5.9
83.04999	1.4
83.08630	5.7
85.02901	2.6
85.10188	65.0
86.09712	1.1
86.10522	1.1
87.04485	2.6
89.06010	2.1
91.05486	2.9
93.07066	2.0
95.04945	2.2
95.08609	5.1
97.10178	3.8
99.11737	9.5
101.09655	3.5
103.07554	1.5
105.07043	2.8
106.07363	1.1
107.08582	1.3
109.10172	1.9
111.11713	1.7
113.13293	5.5
117.09135	12.2
119.08554	1.5
121.10099	1.1
131.08594	1.2
133.08672	1.1
133.10152	1.3
147.11740	1.9
151.09662	1.4
155.17952	7.0
193.12199	2.3
194.12538	1.2
211.13321	2.4
212.13596	2.0
213.22156	13.6
229.72076	1.1
237.13353	1.2
254.24742	1.5
257.24719	2.2
268.16043	1.5
271.26331	10.1
348.63361	1.1
390.50336	1.1
427.61102	1.1
474.39279	2.3
524.40558	12.4
527.30719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.45702	0.4
55.05505	0.6
56.05030	1.3
57.03439	0.3
57.07082	3.4
58.06606	1.2
59.07390	0.4
60.08162	16.9
67.05498	1.0
68.07607	0.3
69.07060	0.6
69.55885	2.0
70.06583	0.4
71.07373	7.2
71.08627	2.2
74.09731	0.4
81.07056	1.2
83.08614	0.8
85.10181	1.2
86.09704	47.3
91.05492	0.4
95.08601	1.1
98.20770	0.6
98.98466	3.8
101.30138	0.3
104.10740	100.0
105.11066	0.5
109.10171	0.5
124.99999	27.2
128.76447	0.3
142.26810	0.3
163.01570	1.0
184.07335	94.5
258.11026	0.9
341.30502	1.5
350.00861	0.3
447.28674	0.4
456.97876	0.3
506.36047	9.0
507.36835	0.4
524.37061	32.0
525.37177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01859	3.4
55.05500	2.8
57.03426	1.7
64.93221	0.7
67.05504	6.0
69.03426	0.8
69.07066	4.2
71.04961	0.9
79.05486	3.6
81.07053	23.3
82.47430	0.7
83.04972	3.4
83.08617	1.5
91.05470	2.9
93.07038	5.3
93.86069	0.7
95.08616	5.9
97.06545	0.7
105.07023	3.1
107.08577	4.7
109.06505	9.7
109.10175	3.7
111.04437	14.8
111.08077	0.9
119.08586	4.4
120.08048	0.9
121.10164	6.0
123.08049	1.7
123.11696	2.1
125.06010	6.1
131.08566	1.6
133.10156	4.2
135.08043	3.4
135.11684	3.9
137.05977	100.0
137.13232	2.0
141.05376	0.8
143.08588	1.5
145.10094	2.1
147.08084	2.0
147.11691	7.1
149.09619	3.8
149.13301	1.6
151.07555	3.3
151.11168	1.3
157.10120	1.7
159.11664	0.8
161.09612	7.3
161.13252	2.7
163.11211	4.3
163.14867	1.3
165.09140	2.6
171.11722	0.7
175.11153	5.9
175.14879	0.7
177.09131	0.8
179.10687	2.9
181.12187	1.9
189.12798	1.0
193.12213	1.4
198.05307	1.0
202.33580	0.7
203.14207	1.3
203.17882	6.2
213.16417	5.1
216.04288	1.2
221.18948	2.6
223.14813	0.8
231.17448	9.9
232.62024	0.7
241.15984	1.0
249.18431	6.4
277.17990	58.4
287.05579	3.1
295.19052	9.6
315.05060	1.5
320.22321	3.5
351.21643	50.6
383.24280	46.1
384.25003	1.5
431.18356	1.4
474.22562	1.6
492.23624	1.7
525.14069	4.5
543.10144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05501	2.6
56.05021	2.0
57.03415	3.4
58.31227	1.2
58.98367	1.4
65.03909	1.3
67.05479	2.6
67.85113	1.3
69.03403	1.2
69.07058	3.4
70.06589	13.5
70.78667	3.6
71.04993	11.2
72.08160	6.8
73.02908	2.0
75.22704	1.4
79.05452	1.8
81.07044	2.6
83.04973	1.8
83.08598	1.7
84.04485	5.3
84.08158	7.0
85.02908	15.2
85.06509	2.0
86.09706	10.3
91.05485	1.9
93.07045	2.0
95.08599	3.1
97.02886	3.1
99.04425	2.7
99.99455	1.3
100.11265	4.0
103.05455	1.9
105.07001	2.2
107.08578	3.6
109.02859	1.5
109.06551	1.2
109.10149	1.7
110.06007	1.8
110.07169	2.2
111.04428	1.6
119.08572	2.7
120.08112	7.0
120.08831	1.7
121.10164	2.1
122.05995	1.5
122.10518	1.3
123.04433	6.9
127.03930	4.2
129.05443	1.6
129.06937	4.3
129.10199	2.8
130.06557	1.7
131.08528	4.1
133.60892	1.3
136.03973	2.0
136.07571	4.6
137.02286	2.3
137.05986	14.5
138.05499	1.5
138.06761	1.3
141.06990	2.4
142.27654	1.2
143.08568	1.5
145.06589	1.5
147.04401	2.4
149.09581	1.3
149.64462	1.4
151.07544	2.3
154.04950	3.4
154.25664	1.1
157.06447	4.6
157.46512	1.3
158.07155	2.0
159.08051	4.1
161.06035	1.8
163.06079	2.4
166.08591	1.2
169.06401	2.3
171.08046	2.1
173.05934	1.6
174.06770	8.5
175.07484	6.6
177.12804	1.7
183.14835	1.7
189.09093	17.8
191.10649	1.8
193.15819	1.5
201.09108	7.1
203.10732	6.4
217.05128	1.8
219.10164	100.0
221.11652	2.3
223.13365	1.3
241.14302	2.1
281.18613	1.8
298.09671	1.6
433.91489	1.5
460.32224	1.3
507.35397	2.5
524.20380	1.7
524.27472	5.4
524.37567	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	524.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05513	3.1
56.05007	1.8
56.17140	1.0
57.03429	2.9
67.05508	1.9
69.03428	2.3
69.07079	1.6
70.06590	13.6
70.78825	3.5
71.05006	9.5
71.06907	1.3
72.08171	6.2
73.02917	1.1
73.74152	1.1
74.06094	1.4
75.04459	1.2
75.64197	1.0
79.05482	1.6
79.39951	1.2
81.03402	1.7
81.07059	2.0
83.08591	2.1
84.04498	4.6
84.08150	6.8
85.02908	13.4
86.09712	11.7
88.54453	1.1
90.87283	1.2
91.05482	2.1
92.97837	1.4
93.07023	2.3
95.04921	1.7
97.02859	3.0
100.11260	2.0
103.05504	2.3
107.08600	2.6
109.02907	2.2
110.07174	1.7
111.04462	2.2
119.08569	2.0
120.08110	10.1
123.04429	2.5
124.04752	1.4
127.73701	1.2
128.06215	1.4
129.05473	3.2
129.06985	3.9
129.10242	4.6
131.08572	7.7
136.03915	1.9
136.07578	3.9
137.02322	2.5
137.05988	8.8
138.05545	1.5
138.06686	1.8
141.06970	3.6
145.06372	1.2
148.03822	1.1
149.09567	1.4
151.07545	1.6
154.05011	3.5
154.12315	1.7
156.69289	1.2
157.06470	3.1
158.07368	1.9
159.08086	4.2
163.06075	2.4
163.07567	2.2
165.05560	1.4
169.06453	2.2
169.53229	1.2
169.76897	1.2
171.07903	1.6
174.06779	9.5
175.07565	4.1
182.15399	2.3
186.06738	3.0
189.09109	20.6
191.10629	2.0
201.09143	7.7
203.10631	6.2
219.10165	100.0
220.10411	1.5
221.11699	2.8
237.11090	1.9
243.02875	1.3
505.48523	1.4
518.70129	1.3
524.27454	3.0
524.37982	2.5
525.23065	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66710	1.0
51.58570	1.0
53.03940	2.8
55.01868	1.5
55.05517	16.0
57.03438	8.6
57.07076	44.6
65.03938	1.9
67.05139	1.4
67.05504	28.8
69.03434	3.2
69.07072	11.2
69.80886	7.0
71.04992	3.7
71.08633	29.9
79.05495	14.5
81.03418	41.0
81.07054	35.4
83.04986	5.7
83.08620	23.8
85.02907	21.1
85.06551	1.9
85.10194	16.2
91.04922	1.3
91.05483	21.2
93.07050	10.1
95.04972	17.7
95.08604	33.7
95.09177	2.7
97.02910	1.5
97.06552	1.1
97.09635	1.3
97.10168	7.1
104.39600	1.1
105.07026	13.1
107.04977	3.9
107.08614	4.8
109.06507	3.6
109.10157	16.0
111.08089	8.4
113.06018	1.9
117.07081	1.5
119.08591	13.3
121.10154	6.0
123.08054	1.4
123.11724	6.5
125.13293	1.4
129.07014	6.6
131.08577	6.3
133.06488	2.2
133.10175	5.6
135.11696	1.1
137.09637	1.8
137.13278	3.2
142.07831	1.9
147.08052	3.0
147.11678	9.4
149.09659	3.9
157.10156	9.0
165.12762	1.9
175.11186	9.9
193.12245	44.2
196.14146	1.2
211.13281	47.4
239.23807	6.6
239.25813	1.2
267.15836	6.4
313.23611	1.2
313.27280	6.1
317.76749	1.2
505.38510	2.3
523.24323	4.7
523.39966	100.0
524.40460	1.5
532.09698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01857	1.0
55.05511	18.0
57.03424	3.3
57.07078	54.7
59.04996	2.0
65.03935	2.0
67.05507	43.0
69.06689	0.9
69.07069	21.3
71.04982	3.3
71.08238	1.8
71.08634	34.6
71.50515	1.0
73.61859	0.9
79.05067	1.5
79.05495	18.5
79.05932	0.7
81.03426	4.4
81.07057	100.0
83.04982	5.9
83.08621	22.1
85.02885	1.4
85.06541	5.9
85.10187	21.1
86.73647	0.8
89.06018	1.5
91.05482	23.5
93.07051	11.7
95.04961	2.9
95.08607	44.2
97.04626	0.8
97.06517	3.7
97.10172	7.5
99.08071	3.4
99.11769	1.7
101.06031	1.7
105.07036	35.8
107.08599	10.0
108.44485	0.9
109.06512	4.8
109.09454	1.7
109.10151	15.3
111.08082	1.0
111.11726	2.0
117.06967	1.4
119.08586	26.1
121.10146	23.1
123.08085	3.4
123.11710	33.3
125.09649	1.1
125.13287	1.4
127.07576	2.6
129.07053	1.7
131.08603	2.2
133.10141	2.4
137.09653	1.4
137.13271	3.7
141.09073	1.6
145.10170	1.7
147.11690	66.0
149.09645	1.8
157.10112	1.9
158.79828	0.9
165.12753	37.0
165.14146	2.0
175.11212	2.0
183.13791	4.9
193.12267	7.2
211.13393	3.9
221.22597	2.0
229.14333	6.4
239.23706	8.6
267.15933	49.2
284.75558	0.9
285.17010	1.4
293.11551	0.9
313.27335	4.2
383.36414	0.8
422.58887	0.9
505.39163	2.1
523.39984	95.8
524.40295	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.1
55.05505	19.9
57.03431	22.8
57.07075	79.8
60.08159	13.3
61.74871	6.7
66.12173	5.7
67.05502	45.7
69.07064	20.9
69.88307	11.0
69.88717	25.6
71.08635	57.6
71.10731	5.7
71.45366	6.6
79.05492	23.9
81.03410	100.0
81.07055	57.9
83.04980	9.8
83.08617	25.3
85.02926	10.5
85.10201	34.0
86.09697	37.7
91.05478	35.1
95.04964	28.7
95.08612	50.3
97.10188	17.8
104.10738	78.5
105.07037	24.9
107.08640	9.8
109.10162	19.5
111.08105	8.9
119.08566	19.5
121.10117	11.3
125.00031	14.9
129.06996	17.2
131.08554	16.6
133.10136	8.3
147.11673	9.5
157.10165	12.5
175.11153	14.8
184.07320	83.8
193.12231	91.1
211.13315	27.7
223.78191	6.6
239.23744	10.0
241.36275	7.0
267.15948	81.8
313.27328	79.9
381.90115	7.7
382.62390	7.8
470.74347	7.6
505.38916	58.0
515.36786	6.7
523.39905	72.9
524.37225	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01879	4.5
55.05505	23.9
57.03431	26.7
57.06823	6.7
57.07075	62.3
67.05508	40.1
69.07072	20.1
69.09985	3.6
69.36879	3.8
70.90005	8.0
71.04992	4.9
71.08630	46.9
79.05505	26.3
79.77090	4.9
81.02932	4.8
81.03420	96.3
81.07053	50.5
83.04980	12.7
83.08627	44.7
85.02908	23.6
85.10186	29.9
91.05468	25.5
93.07044	16.5
95.04979	30.6
95.08599	37.9
97.02898	5.4
97.10176	10.0
104.10717	9.2
105.07019	19.1
107.04948	7.7
107.08576	10.5
109.06519	6.3
109.10139	22.8
111.08084	9.0
119.04819	4.2
119.08577	17.2
121.10152	9.1
122.15386	4.0
123.11704	5.5
129.06973	10.4
131.08577	9.5
133.10149	10.9
147.08005	4.4
147.11655	9.8
152.33766	4.2
157.10139	17.1
158.73549	4.4
165.12582	3.8
175.11185	16.2
184.07349	9.5
193.12241	78.4
203.25020	4.3
211.13321	44.1
239.23648	8.2
267.15927	52.6
313.27380	54.4
340.28738	4.2
505.38782	30.3
523.39960	100.0
523.47638	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55232	0.9
53.03946	4.5
55.01870	1.6
55.05515	18.3
57.03436	10.4
57.07077	48.4
59.04998	1.8
65.03958	1.2
65.24457	0.9
66.24929	0.9
67.05507	37.5
69.03417	2.7
69.07064	15.9
69.22295	4.9
69.22717	4.8
71.04971	5.6
71.08633	34.3
77.03917	1.2
79.05015	1.1
79.05490	23.5
81.03418	47.2
81.07056	42.7
81.07462	0.8
83.04978	8.3
83.08619	31.2
85.02904	21.4
85.06548	2.0
85.09718	1.8
85.10186	16.7
86.83101	1.0
87.04449	0.9
89.06013	1.3
89.62501	0.8
91.04915	1.6
91.05482	27.6
93.07037	16.0
95.04976	17.7
95.08608	37.2
97.02839	1.4
97.06522	1.9
97.10181	9.1
98.20735	1.9
99.08098	2.0
99.11714	1.0
105.07035	18.3
107.04958	4.2
107.08586	6.1
109.06525	2.9
109.10154	15.1
111.04453	3.0
111.08066	8.3
111.11679	2.2
113.06007	2.0
115.17302	1.0
117.07029	1.1
119.08572	16.4
120.76917	0.9
121.06495	1.6
121.10141	11.8
123.08049	1.7
123.11723	5.4
125.13303	1.5
129.06984	9.6
130.28572	0.8
131.08575	9.4
133.06508	2.8
133.10130	8.3
137.09628	1.9
137.13266	2.9
142.07793	2.2
145.10153	1.0
147.08090	2.6
147.11691	16.4
149.09627	10.3
151.14857	1.4
157.10139	11.9
165.12798	3.1
172.80042	0.9
175.11194	15.3
190.45361	1.0
193.12244	48.9
211.13295	48.6
221.22623	1.0
239.23671	9.3
248.49683	1.1
249.14844	1.5
257.24701	1.0
267.15909	18.2
267.18591	1.5
282.72189	0.9
296.57349	1.0
313.27368	23.0
318.92535	1.0
322.18011	0.9
505.39169	7.3
523.39966	100.0
524.40155	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.1
56.05037	3.4
57.03422	6.8
57.07078	14.9
60.08162	20.4
60.51036	2.8
61.08461	2.7
67.05511	16.6
69.07067	6.6
71.07378	7.2
71.08626	15.5
78.53730	2.2
79.05481	9.0
81.03417	27.9
81.07056	16.2
83.04984	2.2
83.08627	9.0
85.10173	6.0
86.09706	44.2
86.10204	4.8
87.10038	13.1
89.06026	2.6
91.05475	10.3
93.07047	7.5
95.04964	12.1
95.08607	15.4
97.06524	3.1
97.10155	3.1
98.98483	6.8
99.04436	3.5
100.62336	2.7
104.10738	85.1
105.07033	7.5
105.11085	20.0
107.08614	6.4
109.10159	7.7
119.08593	9.5
121.10146	6.4
123.04421	5.4
123.08065	6.5
125.00005	29.9
126.00325	2.8
129.06990	3.4
131.08562	3.5
133.10095	3.6
134.21150	2.5
145.10088	4.2
147.11676	3.5
149.09601	2.8
151.03883	4.9
151.07552	5.3
153.09059	3.0
155.08330	2.6
157.10138	5.4
171.11606	2.6
171.93361	2.3
173.13231	7.7
174.13573	6.3
175.11234	3.3
184.07341	100.0
185.07712	26.9
191.07030	10.3
193.12270	16.9
227.18279	2.5
229.41461	2.5
239.23660	4.3
241.05809	2.3
242.99387	2.4
251.05823	2.5
267.15973	20.9
303.08810	2.7
313.27374	30.5
339.28922	5.5
505.33499	4.8
505.38766	10.1
523.23065	7.2
523.35541	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	523.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01864	8.4
55.05513	89.5
56.33677	3.0
57.03434	14.4
57.07076	5.0
59.05001	3.9
61.69794	3.2
62.90687	2.8
65.03938	3.6
67.05505	98.0
69.03419	11.3
69.06796	2.7
69.07071	30.2
69.29672	5.2
69.30076	22.5
71.04984	4.1
76.01643	2.8
79.05498	75.1
81.06599	6.7
81.07059	100.0
83.04987	6.5
83.08617	46.7
85.06541	5.5
86.09698	4.9
91.05476	32.7
93.07048	68.9
95.04936	4.3
95.08611	64.3
97.06514	4.1
97.10172	98.7
98.20782	5.0
98.21439	8.3
99.49534	3.0
104.10748	7.1
105.07011	22.1
107.08603	68.8
109.10169	37.6
117.07041	14.0
119.08571	15.4
121.06516	3.0
121.10162	31.9
123.08059	4.7
123.11698	17.5
125.09634	78.2
131.08598	26.4
133.10112	14.1
135.08055	8.2
135.11711	23.3
137.13272	5.1
138.56107	2.9
143.10701	4.4
145.10081	17.5
147.11684	10.7
149.13243	15.3
153.09122	4.4
159.11681	5.8
161.13269	11.1
163.14764	7.1
171.10152	8.9
173.13326	14.9
175.14862	4.2
187.14838	10.8
189.11224	67.5
227.12790	61.5
243.21059	10.1
245.13861	83.5
261.22168	72.4
279.23199	8.2
313.72415	2.9
317.24710	12.2
335.25833	69.1
353.27048	4.5
374.38428	3.5
413.30438	6.1
431.31552	4.3
487.34027	5.9
505.35211	29.7
523.35504	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	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43150	2.6
53.03938	5.9
55.01867	7.4
55.05513	80.8
57.03428	15.2
57.07063	8.2
58.06433	2.1
65.03915	3.1
67.05505	86.8
69.03419	6.4
69.07069	26.9
79.05495	64.1
81.07057	96.8
83.04967	8.6
83.08159	3.4
83.08623	50.4
85.06554	3.5
87.73309	2.2
89.30800	2.3
91.05484	25.2
93.06490	3.2
93.07047	53.4
95.04990	3.6
95.08607	58.4
96.62167	2.1
97.06541	4.6
97.10170	93.2
99.08073	2.8
105.07036	20.6
107.08591	53.7
109.06491	3.6
109.10160	32.4
111.08108	2.7
117.06988	14.2
119.08588	17.6
121.10162	28.5
123.11683	15.0
125.09632	85.4
131.08583	18.1
133.10153	11.9
135.08051	10.3
135.11717	17.5
137.13214	5.6
143.10693	5.5
145.10129	13.7
147.11688	10.8
149.13239	16.1
153.09097	6.7
159.11700	11.1
161.13228	6.7
163.14810	6.0
171.10123	9.5
171.11537	2.7
173.13260	12.9
177.16312	2.9
187.14825	10.2
189.11217	65.3
219.08682	2.6
227.12779	76.7
243.21065	13.3
245.13864	100.0
254.75070	2.3
261.22128	63.2
279.23145	6.9
313.27588	3.2
317.24661	13.0
335.25800	56.2
353.26712	3.7
395.29578	2.9
413.30402	7.1
431.31409	5.8
487.34186	11.2
505.35089	26.6
523.35864	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	523.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96798	1.8
53.03936	5.3
55.01876	4.3
55.05511	78.7
57.03442	18.1
57.07067	9.9
65.03933	4.0
67.05504	81.6
69.03419	9.0
69.07073	27.5
70.08924	6.3
70.09323	3.5
71.08628	9.2
71.53036	2.0
72.52797	2.2
79.05493	61.0
81.03418	5.5
81.07058	100.0
83.04993	10.1
83.08149	3.7
83.08619	46.2
83.09068	4.1
85.06533	3.2
85.10225	3.3
91.05487	35.0
93.06478	4.4
93.07045	53.1
95.04977	5.7
95.08610	62.7
97.06485	3.0
97.10168	93.6
104.10761	3.1
105.04488	3.4
105.07045	23.7
107.08593	57.4
109.06534	3.3
109.10159	34.5
111.08081	4.0
113.26224	2.0
117.07027	8.9
119.08597	14.5
121.10140	28.1
123.08059	3.8
123.11715	12.2
125.09634	78.1
129.07037	3.2
131.08565	16.5
133.10136	16.0
135.08057	7.6
135.11682	19.4
137.13298	4.6
143.10684	3.8
145.10162	12.9
146.50444	2.2
147.11685	8.4
149.09578	5.6
149.13263	13.7
153.09114	6.9
157.10172	4.0
159.11742	10.6
161.13275	9.4
163.14810	7.5
167.08572	2.4
171.10172	10.6
173.13284	9.5
175.11240	4.6
175.14764	4.4
182.73112	2.5
187.14879	5.3
189.11220	69.2
193.12228	5.3
201.16699	2.4
211.13316	2.4
227.12778	74.1
243.21098	10.8
245.11299	4.9
245.13847	90.0
261.22144	58.6
267.15872	8.8
279.23276	4.2
313.27274	5.2
317.24680	11.2
335.25800	57.7
413.30438	5.4
431.31348	5.1
449.30215	2.8
487.34229	11.9
505.34766	23.5
523.35077	8.5
523.40497	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	523.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
55.01858	7.8
55.05514	84.6
57.03444	17.1
57.07064	13.1
59.05012	5.1
60.75969	2.8
65.19000	2.8
67.05508	94.4
69.03412	6.7
69.07082	25.1
71.08630	3.8
74.17691	3.3
79.05072	4.9
79.05495	65.0
81.03410	12.9
81.07059	100.0
83.04969	6.8
83.08630	51.8
85.06561	3.9
85.10183	7.0
86.09703	4.0
91.05477	27.4
93.07043	67.9
95.04964	6.8
95.08611	66.8
97.10169	90.2
104.10735	9.4
105.07028	22.8
105.83908	3.0
107.08590	66.7
109.06522	4.9
109.10153	34.2
111.08077	9.4
117.07012	10.7
119.08585	21.5
121.10140	37.3
123.11704	13.9
124.99983	4.6
125.09632	69.0
129.07013	3.7
129.64748	2.9
130.62123	3.3
131.08559	19.6
131.84904	3.3
133.10135	16.5
135.08076	7.5
135.11722	20.9
137.13245	6.6
145.10115	15.9
147.11697	10.5
149.13248	14.4
155.08461	3.6
159.11690	8.8
161.13237	8.2
163.14824	8.6
171.10158	13.0
173.13272	16.3
184.07336	9.0
187.14824	9.5
189.11227	65.0
193.12181	6.8
227.12769	72.6
233.22755	4.3
243.21025	13.2
245.13852	95.2
246.72803	3.4
261.22159	83.8
267.15915	11.3
279.23221	4.7
313.27271	13.6
317.24716	11.0
335.25790	67.6
362.44650	3.8
431.31772	5.9
487.33881	11.7
505.34579	30.3
523.36316	9.4
541.41357	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	523.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.4
57.03440	5.1
57.07063	12.3
67.05509	55.6
68.45883	3.8
69.03435	8.0
69.07080	27.6
69.07397	6.2
69.32835	3.9
69.36794	17.1
69.37225	13.5
70.06596	23.8
72.08141	6.5
73.02901	4.1
79.05489	25.5
81.03423	5.9
81.07057	100.0
83.04971	8.4
83.08590	11.9
84.08147	12.7
85.02892	8.9
85.06545	98.0
86.09699	12.0
91.05494	20.4
93.07051	53.1
95.04963	6.5
95.08607	92.9
97.06532	5.2
97.10162	8.6
99.08096	8.1
105.07034	30.2
107.08592	46.6
109.02917	4.7
109.06567	7.9
109.10153	60.9
111.08092	8.6
111.11708	6.1
119.04932	3.9
119.08584	20.7
120.08125	8.1
121.10144	35.2
123.04385	4.9
123.08104	4.8
123.11700	23.6
124.16559	3.8
125.09630	9.5
127.03877	6.4
129.10228	7.5
131.08525	5.5
133.10149	16.0
135.11684	28.1
137.05965	12.5
137.13239	11.0
139.11174	6.1
145.10101	12.7
147.04428	5.5
147.11722	18.8
149.13271	23.6
151.07545	6.5
154.08604	20.9
155.08957	12.8
159.11728	9.4
161.13222	7.9
163.14812	12.3
167.14297	4.3
173.13260	3.6
175.03938	4.2
175.14815	7.8
177.05376	4.0
177.16423	7.1
191.14496	4.1
207.06516	9.5
208.06873	6.6
210.14955	4.4
215.17998	7.9
245.04378	3.9
271.24231	4.7
277.25159	19.0
289.25314	20.0
295.26160	8.0
307.26331	48.4
325.27469	15.9
459.72614	4.5
523.12225	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	523.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.4
57.03440	5.1
57.07063	12.3
67.05509	55.6
68.45883	3.8
69.03435	8.0
69.07080	27.6
69.07397	6.2
69.32835	3.9
69.36794	17.1
69.37225	13.5
70.06596	23.8
72.08141	6.5
73.02901	4.1
79.05489	25.5
81.03423	5.9
81.07057	100.0
83.04971	8.4
83.08590	11.9
84.08147	12.7
85.02892	8.9
85.06545	98.0
86.09699	12.0
91.05494	20.4
93.07051	53.1
95.04963	6.5
95.08607	92.9
97.06532	5.2
97.10162	8.6
99.08096	8.1
105.07034	30.2
107.08592	46.6
109.02917	4.7
109.06567	7.9
109.10153	60.9
111.08092	8.6
111.11708	6.1
119.04932	3.9
119.08584	20.7
120.08125	8.1
121.10144	35.2
123.04385	4.9
123.08104	4.8
123.11700	23.6
124.16559	3.8
125.09630	9.5
127.03877	6.4
129.10228	7.5
131.08525	5.5
133.10149	16.0
135.11684	28.1
137.05965	12.5
137.13239	11.0
139.11174	6.1
145.10101	12.7
147.04428	5.5
147.11722	18.8
149.13271	23.6
151.07545	6.5
154.08604	20.9
155.08957	12.8
159.11728	9.4
161.13222	7.9
163.14812	12.3
167.14297	4.3
173.13260	3.6
175.03938	4.2
175.14815	7.8
177.05376	4.0
177.16423	7.1
191.14496	4.1
207.06516	9.5
208.06873	6.6
210.14955	4.4
215.17998	7.9
245.04378	3.9
271.24231	4.7
277.25159	19.0
289.25314	20.0
295.26160	8.0
307.26331	48.4
325.27469	15.9
459.72614	4.5
523.12225	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	523.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	5.9
53.03939	12.1
54.45366	4.5
55.01854	8.0
55.05513	49.3
57.03414	14.7
59.41351	4.5
61.87696	4.7
67.05506	60.6
69.07058	20.4
69.43452	10.5
69.43865	25.3
79.05490	94.8
81.03403	11.1
81.07057	60.2
83.04984	16.1
83.08619	18.2
85.02880	8.5
85.06533	7.8
86.09640	6.3
91.05483	89.8
93.07041	86.7
95.04962	18.5
95.08615	29.5
97.02895	10.1
97.06527	8.2
97.10183	7.8
99.00810	22.3
103.05471	4.4
105.06376	8.7
105.07023	66.1
107.04948	20.0
107.08590	32.9
109.02888	14.9
109.06506	5.1
109.10122	11.2
111.08075	9.7
117.07012	13.7
119.08578	48.0
119.59607	4.4
121.06472	15.4
121.10156	10.7
123.08049	11.9
129.06992	14.6
133.06461	6.3
133.10121	58.3
135.07996	5.7
139.07518	6.1
143.08574	18.3
145.10133	20.4
147.11681	38.1
151.03925	6.4
151.11150	11.9
161.09612	28.9
161.13237	13.1
171.11679	36.1
179.10701	12.2
189.09067	13.7
189.12750	13.7
191.06850	6.2
207.10114	6.7
207.13802	30.0
225.11206	27.6
225.14708	6.5
281.14139	10.2
281.17465	51.0
284.53470	5.3
299.14890	74.2
505.27899	100.0
523.23517	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10970	0.1
54.73483	0.1
55.05505	0.4
56.05036	0.7
57.03445	0.2
58.06365	0.2
58.06631	0.4
59.07404	0.2
60.08163	6.4
63.02727	0.1
67.05515	0.2
69.07079	0.6
69.85354	0.6
70.06593	0.2
71.07375	3.3
74.99538	0.1
79.05473	0.2
81.07056	0.3
83.08620	0.3
86.09705	31.2
87.10033	0.2
91.05441	0.1
93.07037	0.2
95.08623	0.2
97.10177	0.2
98.98463	3.5
104.10744	3.1
107.08620	0.2
109.10180	0.1
119.08596	0.1
121.10188	0.2
125.00005	20.4
148.94341	0.1
166.06314	0.2
173.13301	0.3
184.07339	100.0
185.07765	0.4
227.17958	0.2
258.10986	0.3
302.70944	0.1
312.03580	0.1
504.34494	1.0
522.35565	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
56.05040	1.8
57.03445	0.5
57.07067	1.2
58.06605	1.3
59.07376	0.4
60.08167	17.7
67.05497	1.2
69.07071	1.9
71.07374	7.5
71.08630	0.5
72.72953	0.3
79.05508	0.5
80.97411	0.4
81.07050	1.0
83.08618	1.3
86.09708	52.1
89.06047	0.6
95.08600	1.1
97.10180	0.5
98.98466	4.3
104.10746	100.0
105.11082	0.8
111.58398	0.3
125.00011	29.3
135.11703	0.3
155.46245	0.3
163.01602	0.6
184.07346	97.6
185.07674	0.4
255.53613	0.4
258.11053	1.1
302.92059	0.4
313.20258	0.4
339.28949	0.6
421.38083	0.4
504.34576	7.6
522.35608	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	523.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	14.7
53.03939	5.4
55.01862	8.3
55.05508	36.1
57.03424	3.6
59.04981	6.9
65.03944	2.0
65.21642	2.1
67.05504	36.4
69.03417	8.8
69.07062	6.2
70.06577	4.2
71.01345	5.2
71.04992	2.9
71.49574	2.7
72.08154	1.8
79.05494	30.0
81.03419	18.7
81.07059	49.8
83.04972	7.9
83.08619	20.2
84.08150	2.1
85.06549	5.1
91.04903	3.7
91.05481	71.2
93.03402	1.7
93.07042	40.0
95.04973	13.1
95.08600	15.2
96.69289	1.5
97.02900	15.5
97.06535	8.2
97.10168	3.8
99.00814	43.1
99.04472	2.1
103.05484	6.7
105.07027	54.6
107.04967	16.2
107.08588	17.0
109.02877	29.7
109.06531	8.0
109.10162	14.6
111.04453	3.5
111.08081	12.3
115.03935	6.7
117.07008	8.5
118.56680	2.1
119.04916	3.0
119.08602	24.1
121.02846	2.3
121.06521	22.4
121.10064	2.4
123.04417	5.7
123.08074	3.5
123.11727	6.4
126.24651	2.1
127.03912	6.8
128.06236	5.9
129.07008	3.0
131.08585	4.9
133.06508	5.6
133.10126	100.0
135.08063	7.0
135.11670	4.5
137.05974	7.3
137.09627	5.4
139.07544	6.1
143.08580	15.0
145.06488	3.5
145.10100	3.5
146.07179	2.9
147.04391	2.2
147.08041	5.2
151.03909	3.6
151.11159	27.8
153.06903	2.5
154.03882	2.2
161.09615	54.8
165.09186	1.9
171.08020	9.7
179.10675	37.1
189.09117	39.5
197.11748	12.7
198.72771	1.9
207.10150	16.0
225.11191	48.4
243.12279	7.4
281.13824	15.4
294.84616	1.7
523.25348	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	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01874	3.2
55.05517	1.9
57.03440	6.8
57.07102	0.6
58.24855	0.7
59.04998	1.2
61.02917	4.8
67.05500	1.8
69.03429	14.1
69.07072	2.2
70.04926	2.7
70.06586	3.8
71.01364	1.4
71.05015	2.8
71.69475	0.6
72.08138	0.8
73.02916	28.7
79.05492	1.4
81.03400	3.3
81.07058	8.6
83.08622	0.8
84.04493	0.7
84.08139	0.9
85.02905	28.6
86.09704	2.3
87.04473	1.3
88.13049	0.6
91.03967	0.8
91.05470	4.1
93.07041	6.4
95.08608	11.7
97.02891	22.0
97.03526	1.2
99.04433	1.6
99.08089	4.6
103.03967	1.2
105.07037	8.1
107.08588	9.0
109.02859	2.9
109.10154	2.7
113.09626	1.7
115.03929	9.9
117.07027	1.1
119.08583	57.0
121.10152	1.0
123.04407	0.9
123.11690	3.4
127.03918	8.6
129.10194	0.9
131.08551	0.9
133.04977	8.1
133.10132	92.2
134.10428	1.1
135.10699	1.2
135.11693	20.0
136.07510	0.7
137.05969	0.8
137.09610	1.1
140.08644	0.6
145.03918	1.1
145.04959	10.6
145.10155	1.0
147.11661	3.5
150.07622	1.4
154.04926	0.6
160.12502	0.9
163.06049	3.9
165.05588	0.8
175.14825	100.0
176.15143	1.7
193.04948	1.4
193.15883	24.9
211.16931	60.5
212.17142	0.8
217.07231	0.8
218.44571	0.6
223.06009	2.0
228.91348	0.6
241.07062	3.3
259.08209	3.5
277.09271	0.9
281.96255	0.7
295.10156	1.1
412.81137	0.7
523.27209	0.8
533.64886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01870	2.8
55.05507	0.6
56.77544	0.5
57.03188	0.7
57.03436	7.1
57.35871	0.6
59.04989	1.2
59.83877	0.6
61.02921	6.0
62.67709	0.5
67.05495	1.1
69.03431	15.2
69.07059	0.5
69.89712	2.5
70.06585	0.9
71.01344	1.6
71.04990	49.6
73.02915	33.0
77.79079	0.5
79.05463	0.8
81.03425	2.7
81.07053	5.2
85.02904	31.3
87.04455	2.2
87.08083	1.2
89.06046	0.5
91.03947	0.7
91.05479	1.5
93.07056	0.8
95.08601	2.1
97.02893	23.3
99.04432	1.8
99.08125	0.6
103.03918	1.3
105.07037	3.3
107.08598	4.5
108.66589	0.5
109.02865	2.8
109.06525	0.7
109.10179	0.8
115.03931	10.5
119.08572	2.3
121.10144	27.2
122.10557	0.8
123.08052	1.5
123.11706	33.9
124.12030	1.2
127.03914	10.4
129.42653	0.5
133.04976	11.4
133.10114	1.9
135.11690	1.0
137.09578	1.4
145.04965	11.0
149.13242	2.2
151.11163	5.1
151.14859	0.8
163.06049	3.9
165.12744	6.2
165.16550	0.7
175.14789	6.0
193.04979	1.5
193.15878	100.0
194.16193	1.2
199.06128	0.7
211.16928	70.2
212.17303	1.4
217.07018	0.9
223.05948	2.2
229.18008	1.0
241.06944	3.4
242.63409	0.7
259.08096	4.3
281.12363	0.6
295.10239	1.2
343.21301	1.0
519.97363	0.7
522.28375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23457	0.5
53.03933	0.9
53.27857	0.5
53.93431	0.6
55.01861	1.4
55.05497	2.4
57.03439	3.6
59.05001	0.8
60.04533	0.6
60.11885	0.6
61.02910	1.8
63.39744	0.6
67.05491	2.7
68.05042	0.6
69.03430	5.1
69.07072	7.2
70.06594	3.5
71.01309	0.6
71.04983	0.9
71.49869	0.6
71.50237	0.5
72.08141	0.7
72.43859	0.6
73.02917	12.2
79.05482	1.6
81.03415	1.3
81.07043	3.0
83.04983	0.6
83.08607	1.6
84.04494	1.3
84.08134	1.3
85.02905	14.7
85.06511	1.0
85.08495	0.7
86.09694	3.3
91.05486	3.5
93.07068	3.2
95.04952	0.7
95.08597	5.4
97.02891	10.7
99.04454	1.3
105.07025	7.1
106.41110	0.6
106.59933	0.5
107.08614	3.3
109.02870	1.8
109.06520	0.8
109.10153	4.5
110.07141	0.6
115.03936	5.5
117.05477	1.1
117.07018	0.7
119.08577	33.2
120.08110	1.7
121.10154	2.3
121.44371	0.6
122.68716	0.6
123.04431	1.0
123.11719	1.5
127.03922	4.6
129.10229	1.2
131.08606	1.2
133.04965	4.4
133.10132	32.6
135.11661	2.9
136.07573	0.7
137.05954	1.3
137.09634	1.3
142.05002	0.7
145.04951	4.4
145.10144	1.4
147.04391	0.8
147.11673	4.8
154.05000	5.4
159.11507	0.7
160.12498	1.4
163.06018	1.0
165.05524	1.7
173.13251	1.6
175.14824	100.0
176.15181	1.3
193.15845	7.6
223.06100	1.2
241.07051	1.6
259.08322	1.3
268.74747	0.6
280.08151	1.3
348.72610	0.6
478.23474	1.5
522.22314	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	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05492	1.4
56.89036	0.7
57.03434	8.3
58.33871	0.7
61.02927	4.0
62.48129	0.7
67.05492	1.8
69.03085	1.3
69.03432	17.0
69.07056	0.9
70.06594	4.5
70.93939	1.1
71.01386	0.8
71.04996	47.6
73.02924	15.8
74.95359	0.6
78.20837	0.7
79.05499	1.9
81.03407	3.1
81.07057	6.4
84.08144	0.8
85.02909	19.7
85.06526	1.0
86.09714	1.6
87.04472	6.4
87.08106	1.7
91.05507	1.3
92.60191	0.8
93.07036	2.6
95.08595	2.3
97.02293	1.5
97.02898	20.1
98.21089	1.1
99.04474	0.8
99.08093	6.5
105.07029	4.4
107.08601	5.5
109.02886	1.3
109.06541	1.7
109.10149	2.1
115.03934	16.6
119.08592	2.6
120.08118	0.8
121.10147	25.8
123.08100	1.8
123.11714	33.9
127.03918	6.0
133.04968	11.0
133.10110	4.3
135.11713	2.0
137.05988	2.8
137.09628	1.3
145.04951	4.3
149.13220	1.2
151.11189	4.8
163.05998	1.7
165.12788	5.7
165.16380	1.6
175.14828	7.5
181.04990	0.9
193.15889	100.0
194.16237	1.2
211.16940	67.4
223.05956	1.3
229.18010	1.0
259.08041	2.3
295.10229	1.6
443.14896	0.8
470.53137	0.9
522.31323	2.5
536.00854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01853	2.2
55.05508	10.6
57.03410	2.1
57.07075	24.8
58.07391	0.5
65.03914	1.0
67.05504	18.0
69.03423	1.3
69.06750	0.7
69.07066	8.8
69.13882	3.4
69.14310	2.7
71.04962	2.0
71.08630	17.5
72.78875	0.6
73.02884	0.7
74.21828	0.5
79.05491	20.4
81.03391	1.4
81.07054	24.9
83.04984	2.8
83.08167	0.9
83.08620	13.7
85.06538	0.9
85.10188	9.2
89.05997	0.7
91.05479	7.1
93.07043	28.4
95.04988	5.5
95.08604	40.6
97.02883	3.0
97.06521	3.3
97.10169	4.7
99.04449	3.3
99.11741	0.9
103.05441	1.0
105.04518	0.6
105.07043	7.0
107.04966	5.6
107.08591	20.8
109.06496	1.9
109.10159	7.3
111.04415	1.5
111.11680	1.2
117.07002	7.0
119.07801	0.9
119.08576	7.5
121.06506	4.4
121.10128	9.5
123.11709	3.1
125.05958	1.6
128.85596	0.5
129.07045	0.7
130.07747	1.1
133.10135	2.1
135.08020	2.3
135.11688	36.0
137.13225	1.1
139.07491	1.7
145.06448	0.8
145.10114	22.7
147.11670	1.0
163.11177	51.3
173.09567	0.6
181.12234	12.2
193.12270	1.2
209.11707	3.3
227.12775	100.0
228.13130	1.5
239.23654	3.1
436.66626	0.6
461.35986	0.8
521.38367	64.5
522.38696	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	522.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.8
53.03931	3.1
55.01857	2.0
57.03435	5.8
69.03448	8.6
70.06591	12.1
71.49239	2.4
72.08150	6.7
73.02914	2.2
75.04485	2.3
79.05504	4.7
81.03416	10.1
83.04964	2.2
84.04501	3.5
84.08127	6.7
85.02910	16.8
86.09702	11.8
87.00819	7.3
88.90906	1.8
91.05496	3.9
97.02901	7.7
99.04454	3.0
103.05450	3.6
105.01869	4.7
105.07037	28.4
107.08590	2.6
109.02868	7.5
116.07076	1.8
117.07049	1.8
120.08131	8.5
122.03654	2.0
122.06015	2.6
123.04456	3.5
127.03943	9.0
129.10237	3.0
130.08702	1.7
133.06494	57.2
133.10207	2.7
136.07579	3.1
137.05984	100.0
138.05470	4.1
138.09149	3.8
140.07004	3.4
145.04985	5.0
147.04384	2.3
154.04973	3.1
154.08578	4.5
159.02917	2.8
163.07530	5.0
165.09116	41.5
172.48801	1.7
175.07588	4.7
179.03375	2.7
181.08505	2.8
182.08179	8.1
183.10176	31.3
184.07420	1.7
203.10678	2.9
221.11768	4.5
230.96342	1.6
239.12807	5.9
257.13852	83.7
294.34308	2.0
326.12250	3.5
347.14954	3.4
522.16779	5.0
523.19012	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	521.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01875	10.3
55.05511	71.5
57.03442	10.3
57.07075	4.0
59.05002	4.4
65.03909	5.2
67.05190	5.7
67.05510	64.8
69.03414	10.6
69.07072	22.7
70.06574	3.4
71.05005	3.5
77.65691	3.6
79.05086	3.8
79.05505	51.6
81.07054	58.4
83.04966	8.3
83.08620	39.6
85.06532	6.0
91.05471	53.6
93.07043	45.6
95.04984	7.8
95.08611	30.1
97.06538	3.9
97.10175	78.4
97.12623	3.6
105.07037	56.5
107.08607	48.7
109.10184	19.5
111.08070	5.2
117.07001	19.6
117.25261	3.4
119.08582	65.9
121.10144	25.6
123.04397	4.2
123.14941	3.4
125.08759	6.0
125.09628	62.7
127.08685	3.8
129.07002	12.4
131.08586	25.1
133.10139	54.3
135.08105	6.6
135.11705	17.7
143.08600	8.7
143.10699	4.6
145.10129	23.9
145.67506	4.1
147.11694	46.7
149.09616	4.0
149.13226	7.5
149.82390	3.4
157.10092	10.1
159.11713	20.5
161.13260	47.8
169.10098	5.3
171.10207	6.8
171.11682	18.9
173.13249	16.1
175.14815	21.3
177.05486	6.2
184.07442	4.1
185.13220	11.0
189.11235	55.1
189.12772	6.8
191.32211	3.7
199.14830	8.9
213.16411	3.8
218.01416	3.7
227.12814	34.2
229.14429	5.3
231.21121	7.4
241.19524	43.6
241.23610	3.6
243.21011	4.9
245.13864	81.0
245.46909	3.6
259.20599	100.0
259.23016	3.6
275.20056	12.5
277.21719	8.6
315.23172	9.5
333.24207	49.3
362.27145	4.5
432.96594	4.0
484.52765	4.0
485.32843	6.8
503.33902	17.5
508.84573	5.3
521.34583	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	521.2597
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
57.03427	9.6
69.03434	12.2
70.06582	19.3
71.04988	7.5
71.49400	4.5
73.02922	17.3
81.03442	3.0
81.07053	7.6
84.04495	11.3
84.08144	6.7
85.02911	15.6
85.06533	5.5
86.09718	4.0
91.05489	3.0
93.07040	8.4
95.04966	73.7
95.08604	5.6
97.02897	12.0
97.06521	5.5
99.04457	18.7
99.08123	5.0
105.07042	4.8
107.08601	11.7
109.06532	5.8
109.10159	18.2
115.03932	7.2
115.07592	6.3
116.01721	3.1
116.07077	4.1
119.08547	4.0
120.08105	5.6
121.10155	6.9
123.08095	2.7
123.11707	10.4
127.03925	6.7
127.07575	3.2
130.05008	6.0
131.08574	6.9
133.04973	8.0
133.10118	49.6
135.08064	6.2
137.02313	3.7
139.05756	4.0
139.11195	4.0
144.08072	6.1
145.04921	3.0
149.13313	5.2
151.11182	11.0
153.09111	27.2
156.08403	3.9
163.14885	3.3
169.12222	9.0
173.13252	20.1
191.14307	42.6
209.15364	100.0
227.16434	26.5
255.02904	3.0
259.11157	7.2
311.05444	4.7
348.08649	5.0
389.06326	4.9
400.15320	3.0
407.07388	3.4
427.02078	3.4
503.09900	8.1
503.17630	4.3
521.10675	16.8
521.18256	4.6
521.73077	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	521.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	19.3
55.01870	17.4
55.05514	34.2
59.05000	20.0
60.45729	12.0
65.03961	11.7
67.05504	53.2
69.03427	44.4
69.07070	42.3
69.43020	40.1
69.43434	55.8
70.06584	85.8
71.04987	33.0
72.08165	25.4
79.05496	44.3
81.03417	43.2
81.07061	100.0
83.05000	23.3
83.08624	17.5
84.04490	16.7
84.08147	53.2
85.02928	30.7
85.06558	16.9
86.09706	86.5
91.05481	37.8
93.07066	70.5
95.04984	20.0
95.08611	81.1
97.02904	25.0
97.06534	16.1
97.10184	13.7
98.21493	27.8
99.04507	13.0
105.07035	53.9
107.04968	34.0
107.08614	69.6
109.02892	44.9
109.10138	61.2
117.07010	16.5
119.08593	48.9
120.08099	47.0
121.06520	23.4
121.10130	70.0
123.04410	19.1
123.11712	21.9
125.09617	18.4
127.03936	34.3
129.05461	40.7
129.07111	13.4
129.10246	15.6
131.08559	15.4
133.10152	54.9
135.11694	56.0
137.05075	15.9
137.05998	85.0
137.09624	49.0
145.10135	31.0
147.04430	37.5
147.11703	27.8
149.13271	41.1
151.07567	33.2
152.07028	15.6
159.11639	15.1
161.05942	13.5
163.03896	17.7
163.07631	14.6
167.07086	16.0
171.74857	13.2
173.09726	12.6
175.07497	16.5
175.14874	30.8
177.05402	13.2
193.15915	51.8
207.06465	21.1
211.16959	14.2
246.09438	15.5
278.11981	15.9
293.24603	15.7
299.05988	17.1
305.24887	16.1
323.25980	14.2
341.13593	16.1
367.98563	14.6
440.98965	13.3
504.23532	29.9
521.19995	17.4
543.66107	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	521.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
55.01870	6.0
55.05511	75.8
57.03437	8.0
57.07066	4.2
59.05006	4.4
67.05508	66.3
69.03436	9.0
69.07068	25.8
70.08926	3.5
71.04997	5.1
77.58252	3.6
79.05495	57.8
81.07066	66.9
83.04999	7.7
83.08624	36.4
85.06532	4.3
91.05475	65.2
93.07038	61.6
95.04980	4.2
95.08609	35.3
97.10172	77.8
98.21625	7.7
105.07041	64.4
107.08588	52.6
109.02905	4.4
109.06552	5.8
109.10146	21.9
117.07042	14.2
119.08581	61.1
121.10140	25.1
125.09630	63.6
129.06993	12.1
129.69336	3.9
131.08546	25.5
133.10132	53.0
135.08052	5.5
135.11702	18.2
137.09622	4.1
143.08560	10.2
145.10129	25.7
147.11673	50.1
149.13274	13.8
157.10114	11.9
159.11676	21.0
161.13260	43.6
162.21924	4.1
164.59158	4.0
171.10289	6.2
171.11726	13.9
173.11926	3.9
173.13293	15.4
174.57713	4.4
175.14867	18.9
177.05424	5.5
184.07350	5.2
185.13264	16.1
189.11238	56.2
189.12790	7.5
199.14850	9.6
227.12807	40.5
229.14420	5.8
231.21095	13.8
241.19556	43.4
245.13847	86.1
259.20581	100.0
275.20139	8.1
277.21597	6.0
315.23349	5.4
333.24289	45.1
485.32593	9.7
503.33755	19.9
521.34540	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	520.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.7
55.01850	0.7
55.05471	2.0
57.07028	8.1
59.04948	2.4
65.03904	1.0
67.05502	4.8
69.03384	2.9
69.07070	3.6
71.04926	0.8
71.06485	1.1
71.06827	1.1
73.02865	1.0
74.09678	0.8
79.05486	6.2
81.03384	1.1
81.07059	9.9
81.76207	0.7
83.04993	6.3
83.08565	0.7
85.06544	4.2
85.10123	1.0
89.05984	1.3
91.05482	9.2
92.06236	0.6
93.07046	12.5
95.04977	6.4
95.08603	9.5
97.06522	3.6
105.07037	27.2
106.07787	0.9
107.04894	0.8
107.08598	13.2
109.06522	6.3
109.10103	2.7
109.38660	0.7
115.05417	1.5
117.07028	7.3
119.04895	1.3
119.08588	26.5
120.09322	1.2
121.06509	3.2
121.10150	14.6
122.07230	1.8
123.07331	0.7
123.08053	7.4
125.06000	14.9
128.06177	2.1
129.07025	4.1
131.08566	13.1
132.09302	2.0
133.06519	3.5
133.10143	17.5
134.10985	0.8
135.07146	0.8
135.08060	12.7
135.11717	3.8
136.08833	0.7
137.05940	0.8
137.09612	4.7
139.07536	1.2
139.11116	1.0
141.06998	1.7
142.07759	3.3
143.08553	7.5
144.09283	3.0
145.06461	1.8
145.10130	26.0
146.10785	1.0
147.06976	0.8
147.08054	11.3
147.11629	2.3
148.08801	2.2
149.09613	10.5
150.10402	1.1
151.07533	5.5
151.11165	1.6
153.06929	0.8
155.08493	3.1
156.09291	3.0
157.10132	11.0
158.10834	2.2
159.08063	6.5
159.11691	22.7
160.08780	1.7
160.12424	2.5
161.09668	7.1
161.13277	3.5
162.10280	1.0
163.07487	0.8
163.09898	1.4
163.11194	24.9
164.11992	0.9
165.06938	1.1
165.09123	12.9
167.08543	2.4
168.09315	1.7
169.10136	4.5
170.10915	1.2
171.08081	1.5
171.11673	7.5
173.09616	7.6
173.13229	4.8
174.10330	0.8
175.09776	1.1
175.11177	15.0
177.09137	3.7
177.12656	1.3
178.09851	2.3
179.08517	1.5
179.10619	1.8
180.09270	1.5
180.11369	2.7
181.10080	2.9
181.12247	20.2
182.10901	1.9
183.11687	6.4
185.09581	3.1
185.13239	3.6
186.10344	1.5
187.11182	5.5
187.14764	1.9
188.11942	0.8
189.09135	1.1
189.12759	4.7
190.13571	5.2
191.10649	3.2
191.14375	0.8
193.10092	2.3
193.12201	9.0
194.10884	1.3
195.11641	4.5
195.13702	1.0
196.12457	1.9
197.09560	1.1
197.13239	6.5
199.11220	5.0
199.14828	1.4
200.11949	1.0
201.12750	6.7
202.13495	1.2
203.14290	6.1
205.12202	1.7
206.10828	0.8
207.11688	2.2
207.13777	6.3
208.12595	1.5
208.14542	4.1
209.09520	0.9
209.13295	3.8
210.10394	1.1
211.11104	3.0
211.14798	3.2
212.12010	1.1
213.12709	3.4
213.16286	1.1
214.13446	1.2
215.10773	1.7
215.14281	2.6
216.15038	1.5
217.12184	1.4
219.11795	1.1
219.13783	7.8
221.13199	2.2
221.15349	25.1
223.11127	1.9
223.14731	4.4
224.11990	1.6
225.12817	3.4
225.16338	1.6
226.13489	1.1
227.14314	3.0
229.15887	1.9
231.13774	2.2
233.13347	1.5
233.15294	3.6
233.39554	0.7
234.13878	0.8
234.16161	12.1
235.11003	1.0
235.14764	1.6
235.16893	0.9
237.12677	1.6
237.16351	2.3
238.13506	0.8
239.14236	2.6
241.15848	2.5
243.13969	1.2
245.15353	1.7
247.14584	1.2
247.16927	15.1
248.17741	3.9
249.12613	0.8
249.16295	1.5
251.14296	1.8
253.15813	2.7
255.13911	1.2
257.15332	1.9
259.16943	1.2
260.17697	2.0
261.18497	1.7
265.15823	2.3
267.17511	0.9
269.15347	3.8
269.18512	0.8
270.15994	1.1
271.16895	2.5
279.17322	2.8
279.20917	1.3
281.18942	1.1
283.16968	1.7
285.18625	0.9
286.19217	4.2
287.20111	4.0
289.19534	1.1
294.19797	1.1
297.18576	3.3
297.21558	0.9
298.19360	1.3
299.20044	12.6
307.20520	3.2
310.19193	4.3
311.20145	6.2
312.20847	13.3
313.21631	12.9
325.17944	1.2
325.21622	15.9
339.23221	12.7
340.23984	40.2
341.24597	0.9
345.07474	0.7
351.19583	0.8
360.22916	0.8
367.22595	0.9
369.20370	1.1
407.25897	1.1
411.25436	1.8
413.26862	8.3
425.26880	20.8
426.27530	6.7
427.22577	1.6
427.28461	32.0
440.29242	100.0
441.29492	2.1
505.32843	3.6
520.35522	76.0
521.35834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.05030	1.8
57.03431	0.6
57.07064	0.2
58.06578	1.2
59.07385	0.4
60.08163	17.3
65.03947	0.2
67.05505	3.3
69.07076	1.3
69.14359	0.6
69.14780	1.4
70.06606	0.4
71.07377	6.4
79.05485	1.2
81.07056	2.8
82.22742	0.2
83.08628	0.6
86.09705	52.9
87.10045	0.2
91.05495	0.4
93.07043	0.7
95.08595	2.0
98.21457	0.4
98.98463	5.3
104.10742	94.8
105.07034	0.4
105.11086	0.4
107.08612	0.5
109.10159	0.5
119.08633	0.3
121.10168	0.3
125.00003	31.5
133.10089	0.2
136.94951	0.2
147.11710	0.3
152.75258	0.2
163.01576	0.7
166.06354	0.2
184.07336	100.0
185.07710	0.2
258.10986	1.2
337.27304	0.9
353.57492	0.2
374.79904	0.2
394.75073	0.2
443.25314	0.3
502.27063	0.2
502.32904	7.8
520.33984	24.3
521.34204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.05505	3.2
57.07072	7.2
59.04974	2.5
59.13186	0.8
65.03905	1.2
65.55523	0.7
67.05512	4.7
69.03442	3.3
69.07097	3.6
69.89590	0.7
71.28294	0.7
71.50545	0.9
79.05487	5.4
81.07051	7.8
83.04993	4.7
83.08599	1.2
85.06525	4.0
85.10186	0.9
89.06015	1.3
91.05473	9.3
93.07047	9.1
95.04974	4.3
95.08604	8.7
95.37496	0.6
96.08986	0.6
97.06512	3.8
103.05404	1.3
105.07027	21.9
107.08006	0.8
107.08589	9.6
109.06521	5.5
109.10114	1.9
111.08067	0.9
113.06024	0.8
115.05379	1.5
117.07024	5.3
119.07720	1.1
119.08585	21.9
120.09384	0.8
121.06505	3.6
121.10136	10.2
123.08070	7.4
125.05994	12.8
128.06139	1.4
129.06958	2.6
131.07599	0.9
131.08569	11.0
132.09332	1.9
133.06424	2.5
133.07442	0.7
133.10130	13.5
135.08049	10.9
135.11653	3.1
136.08737	0.9
137.05957	1.6
137.09596	4.6
141.06947	1.3
142.07748	2.3
143.08571	7.2
144.09319	3.4
145.10121	20.7
146.10846	0.7
147.08058	9.7
147.11652	2.3
148.08784	1.2
149.09598	9.9
150.10338	1.2
151.07549	5.5
151.11130	1.0
155.08531	4.1
156.09290	2.5
157.10139	8.8
158.07216	0.7
158.10919	1.0
159.08029	3.8
159.10471	1.2
159.11696	17.2
160.08749	1.1
160.12502	1.4
161.09595	5.5
161.13205	3.7
162.10338	2.0
163.07394	0.9
163.09872	1.3
163.11177	20.3
164.12067	0.7
165.06921	1.0
165.09116	9.2
167.08522	0.9
169.10114	4.6
170.10780	1.3
171.08009	1.1
171.11707	5.6
172.08786	1.4
173.09613	5.7
173.13297	4.7
175.11185	13.2
177.09085	4.4
177.12712	1.1
178.09857	1.9
179.08595	0.9
179.10608	1.4
180.09230	1.0
180.11452	1.6
181.10110	2.4
181.12230	15.3
182.10902	1.4
183.11679	4.2
184.12361	1.1
185.09647	1.9
185.13187	3.8
186.10442	1.6
187.11230	4.3
187.14784	1.3
189.09140	1.7
189.12727	4.9
190.13489	5.3
191.10634	2.9
191.14276	1.3
192.11417	0.8
193.10344	1.1
193.12227	8.7
194.10916	1.0
195.11662	5.2
195.13583	1.3
196.12416	1.5
197.09572	1.3
197.13312	4.3
198.10365	1.4
199.11127	3.7
199.14867	1.7
201.12741	6.8
203.14305	5.1
205.12170	0.9
207.11829	1.2
207.13780	5.5
208.12558	1.4
208.14565	2.8
209.13286	3.3
211.11200	1.7
211.14757	2.0
213.12743	2.8
214.13461	1.2
215.10779	0.9
215.14342	2.3
216.15108	1.3
218.13089	0.9
219.13820	8.4
221.13425	1.3
221.15344	24.6
223.11186	0.9
223.14786	2.7
224.15541	0.8
225.12752	3.4
225.16344	1.7
227.14238	2.9
229.15942	1.3
231.13783	1.8
233.15378	3.5
234.16129	10.4
235.14767	1.0
235.16980	0.8
237.12752	1.9
237.16418	2.0
239.14194	1.8
241.11938	0.9
241.15802	3.4
243.13821	1.1
245.15378	1.9
246.16438	1.1
247.14902	0.8
247.16951	15.3
248.17664	2.8
251.14307	1.6
253.15863	2.4
255.13669	0.9
257.15329	2.1
259.16925	1.3
260.17569	1.9
261.18457	2.1
263.18066	1.0
265.15854	1.5
267.17429	1.4
269.15353	2.4
269.18686	0.8
271.16904	2.7
274.19403	1.1
279.17493	2.7
279.21011	1.4
281.18936	2.0
283.16843	1.3
285.18576	1.2
286.19232	2.9
287.20087	3.6
289.19315	0.8
293.18823	0.9
295.20676	0.7
297.18570	3.6
297.21808	0.9
298.19424	1.2
299.20068	10.7
300.20801	1.0
307.20523	3.7
309.27866	1.3
310.19302	2.8
311.20029	6.2
312.20822	11.8
313.18176	0.5
313.21588	13.3
321.21945	1.1
325.21591	11.2
326.22385	0.9
333.41092	0.7
339.19556	0.6
339.23206	12.1
340.23962	35.3
341.24573	1.4
351.19699	0.7
369.20477	1.2
389.77155	0.7
411.25201	1.5
413.26874	8.1
425.26852	16.6
426.27597	9.0
427.28439	33.0
440.29214	100.0
441.29565	1.4
487.31723	1.1
505.32950	3.0
520.35437	66.4
521.35870	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	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05039	0.5
57.03429	0.2
58.06624	0.5
59.07392	0.2
60.08160	6.7
62.61172	0.1
67.05501	0.6
69.07067	0.3
69.17838	0.8
71.07368	3.5
79.05490	0.4
81.07057	0.7
83.08632	0.1
86.09701	32.8
87.10043	0.2
91.05498	0.1
93.07028	0.1
95.08591	0.4
98.21548	0.2
98.98461	3.3
104.10741	3.0
109.10181	0.2
114.84751	0.1
119.08578	0.1
124.99998	22.6
143.00963	0.1
184.07332	100.0
185.07649	0.3
232.62347	0.1
258.11136	0.2
319.09232	0.1
337.27325	0.2
502.33008	0.9
520.34009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55884	0.5
57.03427	0.5
59.01296	0.5
59.05002	6.6
61.02909	0.6
66.08105	0.5
69.03426	0.9
70.06598	2.6
71.49536	0.7
72.08166	1.1
73.06567	0.9
74.06078	0.5
81.03403	0.5
84.04495	1.0
84.08120	0.5
85.02904	4.1
86.09708	1.2
87.04472	2.7
89.06030	100.0
91.07586	0.6
97.02897	1.6
98.09749	0.5
103.07594	1.9
105.72381	0.5
107.07068	1.5
116.07092	0.6
121.06503	1.7
127.03905	0.8
130.08659	0.6
133.08603	47.2
135.04459	0.7
144.08055	0.9
147.10173	1.8
151.09648	0.9
177.11224	18.4
191.12816	0.7
195.12260	3.1
221.13872	1.9
235.15508	0.8
239.14850	4.0
257.84335	0.7
283.17514	53.8
284.17770	0.8
325.44592	0.5
341.21695	47.9
342.22070	1.3
342.26050	0.5
520.21991	1.9
520.29736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	0.5
70.06595	3.0
71.23188	0.5
72.08141	1.8
73.02911	0.5
73.06562	1.7
76.94299	0.3
81.07082	0.4
84.08135	1.3
85.02884	0.4
86.09698	3.0
87.04468	8.8
89.06028	100.0
93.07068	0.6
107.07058	1.1
110.07156	0.4
116.07083	0.6
117.09135	1.1
120.08128	0.5
129.10266	1.0
130.08630	0.7
131.07054	3.0
132.60283	0.4
133.08601	61.0
146.14362	0.4
165.05585	0.5
175.09688	1.6
177.11223	20.5
179.12729	0.4
219.12317	0.4
221.13838	4.0
227.16556	0.5
239.14793	0.8
265.16595	1.0
283.17505	1.5
284.45511	0.4
309.19019	0.9
327.20035	0.8
371.22702	0.5
415.25452	0.8
439.51712	0.4
459.27866	0.9
503.30551	6.3
520.33502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72448	0.3
65.03915	0.2
69.03424	0.3
69.07052	0.3
70.06591	1.3
70.06919	0.3
71.49582	0.4
72.08155	0.3
74.06034	0.2
83.04973	0.2
84.04506	0.3
84.08129	0.3
85.02917	0.4
86.09702	0.4
91.05461	0.3
93.03423	0.2
99.00842	0.3
100.79488	0.2
103.05489	0.2
103.31112	0.2
111.04440	0.3
111.05573	0.4
112.07610	0.2
115.05434	0.4
116.07096	0.5
117.07011	1.7
120.08093	0.2
121.37527	0.2
125.07112	0.2
129.05594	0.2
129.10229	0.2
132.08025	0.3
139.05045	0.9
143.07274	1.5
144.08084	100.0
145.06505	0.3
145.08400	0.9
155.05995	0.5
161.10744	15.7
162.11070	0.3
163.03923	0.4
167.11812	0.6
189.17458	0.3
195.11287	3.5
214.76172	0.3
223.10847	0.7
264.51822	0.2
265.83813	0.2
324.15430	1.9
334.73285	0.2
342.16678	1.6
427.76309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05503	3.0
56.05039	2.3
57.03428	5.1
57.07066	2.3
58.99599	3.1
60.04538	2.0
61.02926	4.5
65.03937	1.5
67.05510	7.8
69.03439	11.3
69.07069	4.3
70.06592	12.3
70.59113	4.1
71.04996	4.3
72.08166	6.1
73.02925	16.3
73.04757	1.1
76.02238	7.4
79.05508	4.3
81.03424	1.9
81.07066	8.9
83.08624	1.9
84.04499	5.7
84.08162	7.2
85.02917	16.2
85.06548	1.8
86.00667	1.8
86.09705	15.9
91.05492	7.1
93.07039	8.5
93.25227	1.1
95.04978	5.3
95.08627	8.9
97.01157	1.9
97.02891	11.2
97.06545	3.0
99.04447	1.8
101.20790	1.2
102.05556	1.9
105.07053	10.4
107.08596	7.3
109.02885	3.0
109.06527	85.6
109.10165	20.6
111.02687	2.1
115.03954	2.9
116.01680	5.9
117.07080	2.8
119.08590	4.3
120.08087	5.7
121.10136	5.3
123.04424	1.9
123.08063	8.4
123.11714	1.2
127.03946	8.1
129.10268	3.1
130.08640	2.4
131.08578	21.8
133.04979	3.3
133.10147	39.4
135.08064	31.2
135.11702	2.3
137.06010	2.4
142.03256	1.4
144.01151	2.3
145.04985	4.6
145.10110	5.5
147.04402	3.1
147.11710	3.5
149.09647	2.6
149.13261	3.0
151.11177	1.7
152.07124	2.1
153.09151	3.9
158.10936	3.1
159.11702	1.5
162.02238	5.4
165.05515	1.9
173.13274	33.8
175.14813	1.9
179.04865	2.5
183.14996	1.8
187.18263	1.4
191.14323	100.0
192.14651	1.4
195.13841	2.6
209.15387	71.8
252.14360	2.4
270.15259	3.7
288.16238	3.9
308.09183	2.1
373.17990	25.2
391.18985	1.3
445.19803	2.0
520.23785	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	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.1
55.01863	3.1
55.05503	1.7
57.03429	3.9
57.07071	2.8
61.02916	3.2
67.05514	9.5
69.03426	10.0
69.07059	2.2
70.04075	6.0
70.06590	5.0
71.04984	5.0
71.36383	1.1
71.49592	1.5
73.02922	12.4
74.06062	1.3
79.05490	3.9
81.03416	3.1
81.07053	5.3
81.36492	1.0
81.75945	1.1
82.04061	8.5
84.08120	1.5
85.02915	19.2
85.06546	3.9
86.09705	4.6
89.06042	1.2
91.05481	4.2
93.07049	4.4
95.04983	3.3
95.08604	4.9
96.08131	1.4
97.02885	13.2
100.05131	1.3
105.07029	4.4
107.04962	1.1
107.08624	8.4
109.02848	2.4
109.06522	100.0
109.10162	20.3
111.08044	1.2
115.03947	4.7
117.07024	1.5
119.04900	2.2
119.08579	3.1
120.08129	1.9
121.06529	1.2
121.10147	5.9
122.81334	1.0
123.08074	9.6
127.03919	4.7
129.10307	1.2
131.08551	9.9
133.04977	4.2
133.10143	9.1
135.08066	36.0
137.05971	3.8
139.11143	1.3
145.04965	4.2
145.10068	2.4
147.04398	1.5
147.08141	1.2
147.11678	6.4
149.09636	3.8
149.13255	2.0
152.07094	5.1
153.09132	3.4
158.97646	20.4
167.07175	1.2
173.13264	19.3
175.03909	1.7
175.14832	1.5
186.97141	7.8
189.49365	1.1
191.14317	67.2
207.06551	5.2
209.15375	84.9
221.46930	1.2
241.07095	1.5
256.00415	68.1
259.08081	1.5
299.06171	1.9
334.27432	1.1
358.07230	34.1
376.90500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05503	3.0
56.05039	2.3
57.03428	5.1
57.07066	2.3
58.99599	3.1
60.04538	2.0
61.02926	4.5
65.03937	1.5
67.05510	7.8
69.03439	11.3
69.07069	4.3
70.06592	12.3
70.59113	4.1
71.04996	4.3
72.08166	6.1
73.02925	16.3
73.04757	1.1
76.02238	7.4
79.05508	4.3
81.03424	1.9
81.07066	8.9
83.08624	1.9
84.04499	5.7
84.08162	7.2
85.02917	16.2
85.06548	1.8
86.00667	1.8
86.09705	15.9
91.05492	7.1
93.07039	8.5
93.25227	1.1
95.04978	5.3
95.08627	8.9
97.01157	1.9
97.02891	11.2
97.06545	3.0
99.04447	1.8
101.20790	1.2
102.05556	1.9
105.07053	10.4
107.08596	7.3
109.02885	3.0
109.06527	85.6
109.10165	20.6
111.02687	2.1
115.03954	2.9
116.01680	5.9
117.07080	2.8
119.08590	4.3
120.08087	5.7
121.10136	5.3
123.04424	1.9
123.08063	8.4
123.11714	1.2
127.03946	8.1
129.10268	3.1
130.08640	2.4
131.08578	21.8
133.04979	3.3
133.10147	39.4
135.08064	31.2
135.11702	2.3
137.06010	2.4
142.03256	1.4
144.01151	2.3
145.04985	4.6
145.10110	5.5
147.04402	3.1
147.11710	3.5
149.09647	2.6
149.13261	3.0
151.11177	1.7
152.07124	2.1
153.09151	3.9
158.10936	3.1
159.11702	1.5
162.02238	5.4
165.05515	1.9
173.13274	33.8
175.14813	1.9
179.04865	2.5
183.14996	1.8
187.18263	1.4
191.14323	100.0
192.14651	1.4
195.13841	2.6
209.15387	71.8
252.14360	2.4
270.15259	3.7
288.16238	3.9
308.09183	2.1
373.17990	25.2
391.18985	1.3
445.19803	2.0
520.23785	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	519.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05995	1.0
53.03935	1.3
55.01854	1.8
55.05502	3.5
57.03439	7.0
59.04990	3.3
61.02905	1.1
67.05508	1.6
69.03419	5.0
69.07056	3.3
70.06586	2.7
70.74919	3.2
71.04607	1.4
71.04995	27.9
72.16406	0.9
73.02909	2.8
75.04439	1.1
79.05494	3.6
81.03419	1.1
81.07054	11.4
83.04991	4.8
85.02908	44.5
86.09695	2.8
91.05479	4.8
93.07042	7.3
93.18616	1.2
95.04958	2.1
95.08606	14.7
97.02882	3.4
97.06507	2.6
99.08076	2.5
105.07035	15.4
107.08592	12.1
109.06516	5.0
109.10145	2.4
111.04414	2.1
111.08099	1.6
115.03943	2.0
117.06995	1.8
117.09065	1.4
119.04947	1.6
119.08583	41.8
121.02862	1.5
121.10138	6.2
123.08067	3.2
123.11700	7.4
126.74464	1.0
127.03915	3.0
129.05493	12.1
131.08575	1.1
133.04941	1.5
133.10132	45.5
135.08054	1.5
135.11697	8.7
137.06078	1.3
137.09619	10.7
144.43794	1.0
145.04941	2.2
145.10150	1.7
146.10806	1.1
147.06499	3.7
147.11694	7.7
149.09686	1.6
151.07567	1.4
159.11681	1.6
161.13278	2.2
164.91269	1.0
165.12750	30.5
170.60532	1.0
171.11624	1.3
174.10390	1.5
175.14825	100.0
177.01772	1.0
179.14252	2.8
189.12776	6.9
193.15823	10.4
205.68398	1.0
207.13780	17.6
211.16925	9.8
225.14702	1.6
256.07520	1.3
283.06058	9.0
284.06839	5.2
295.05984	4.8
297.07440	1.3
299.06085	1.3
313.07056	15.3
319.42984	1.2
334.95142	1.0
337.07028	1.8
439.10223	2.3
475.11984	1.4
501.10703	1.7
519.11023	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	519.2806
Annotation	Gusanlungionoside C
Peak:m/z	Relative Intensity
53.36155	2.3
55.05505	3.2
57.14598	2.1
67.05496	8.6
69.03417	4.6
69.07056	8.6
70.06604	3.8
71.00866	5.1
71.01207	3.4
71.04986	8.9
72.08128	3.3
79.05494	3.8
81.03403	3.0
81.07047	10.9
83.04976	6.8
83.08625	6.8
85.02890	11.0
85.06589	2.8
86.09705	4.3
91.05469	7.1
93.07040	6.8
95.08604	25.8
97.02872	5.6
105.07020	4.9
107.08593	15.8
109.02895	2.9
109.06522	5.9
109.10162	81.2
111.08062	3.0
119.08588	30.6
121.10152	10.2
123.08064	7.4
123.11729	6.3
127.03922	7.0
128.04239	3.0
133.10135	15.0
135.11696	76.4
137.09624	8.7
145.04933	2.5
149.13264	3.6
151.11171	6.0
151.14832	7.4
175.14830	38.3
193.15897	51.8
211.16927	100.0
318.74173	2.4
373.22113	3.1
519.24194	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	519.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05995	1.0
53.03935	1.3
55.01854	1.8
55.05502	3.5
57.03439	7.0
59.04990	3.3
61.02905	1.1
67.05508	1.6
69.03419	5.0
69.07056	3.3
70.06586	2.7
70.74919	3.2
71.04607	1.4
71.04995	27.9
72.16406	0.9
73.02909	2.8
75.04439	1.1
79.05494	3.6
81.03419	1.1
81.07054	11.4
83.04991	4.8
85.02908	44.5
86.09695	2.8
91.05479	4.8
93.07042	7.3
93.18616	1.2
95.04958	2.1
95.08606	14.7
97.02882	3.4
97.06507	2.6
99.08076	2.5
105.07035	15.4
107.08592	12.1
109.06516	5.0
109.10145	2.4
111.04414	2.1
111.08099	1.6
115.03943	2.0
117.06995	1.8
117.09065	1.4
119.04947	1.6
119.08583	41.8
121.02862	1.5
121.10138	6.2
123.08067	3.2
123.11700	7.4
126.74464	1.0
127.03915	3.0
129.05493	12.1
131.08575	1.1
133.04941	1.5
133.10132	45.5
135.08054	1.5
135.11697	8.7
137.06078	1.3
137.09619	10.7
144.43794	1.0
145.04941	2.2
145.10150	1.7
146.10806	1.1
147.06499	3.7
147.11694	7.7
149.09686	1.6
151.07567	1.4
159.11681	1.6
161.13278	2.2
164.91269	1.0
165.12750	30.5
170.60532	1.0
171.11624	1.3
174.10390	1.5
175.14825	100.0
177.01772	1.0
179.14252	2.8
189.12776	6.9
193.15823	10.4
205.68398	1.0
207.13780	17.6
211.16925	9.8
225.14702	1.6
256.07520	1.3
283.06058	9.0
284.06839	5.2
295.05984	4.8
297.07440	1.3
299.06085	1.3
313.07056	15.3
319.42984	1.2
334.95142	1.0
337.07028	1.8
439.10223	2.3
475.11984	1.4
501.10703	1.7
519.11023	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	519.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20999	3.7
59.35839	3.6
67.35123	3.9
68.33820	3.5
69.16364	2.9
69.61317	6.8
69.61728	19.3
73.04770	4.3
91.05843	4.1
105.07019	18.8
106.07355	9.3
118.06561	25.4
122.09641	8.4
123.10052	4.1
132.08080	6.0
144.08081	10.8
146.06010	66.2
147.04399	8.2
159.09195	8.0
163.03894	11.4
167.05542	8.8
170.06123	3.3
188.07065	100.0
205.09743	38.4
211.22026	3.4
212.09149	4.5
246.08087	4.8
299.06183	13.4
489.40219	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
57.03425	8.6
59.04991	2.3
59.70746	2.3
61.02891	2.3
61.46774	2.1
63.70242	2.3
69.03432	10.8
69.07065	3.1
69.56710	8.8
69.57121	5.9
70.06591	4.8
70.95454	2.1
71.04992	30.7
73.02907	7.1
75.04466	3.2
79.05480	5.9
81.07069	17.1
82.27363	2.1
83.04971	5.2
83.08571	2.7
84.08125	2.8
85.02910	64.2
86.09705	4.4
91.05486	4.6
93.07029	9.5
95.04971	2.7
95.08603	15.3
97.02898	13.6
97.06535	4.0
97.45737	2.3
98.21497	4.6
99.08114	2.2
105.07031	19.0
107.08584	13.0
109.06535	14.4
109.10156	6.2
111.04404	2.6
111.08073	3.8
115.03929	4.3
119.08578	49.6
121.10133	14.2
123.08055	5.3
123.11712	16.6
127.03957	3.9
129.05478	12.8
131.08549	3.0
133.10129	42.8
135.11696	13.3
137.06004	2.6
137.09618	25.0
145.04930	2.6
145.10135	4.1
147.06512	5.3
147.11682	20.5
149.09630	4.5
161.13225	5.3
165.12761	76.2
173.22993	2.5
174.10358	3.1
175.14835	100.0
179.14363	4.4
189.12741	17.5
193.15881	13.6
207.13832	43.5
211.16907	8.8
244.81729	2.4
260.43436	2.1
313.07288	2.2
317.50565	2.2
422.32758	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	518.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01863	0.8
55.05517	1.9
56.05042	0.9
57.03440	5.9
59.05002	100.0
61.02925	1.4
61.60256	0.8
67.05500	1.5
69.03431	3.3
69.07066	1.3
70.06593	11.9
70.06954	0.8
70.73888	1.7
70.74226	1.0
71.01361	0.7
71.04997	1.3
72.08159	2.0
73.02916	4.5
73.06564	1.4
77.12444	0.6
79.05502	2.2
81.03424	1.1
81.07053	2.6
82.35970	0.7
84.04498	1.7
84.08156	3.0
85.02891	5.4
85.06552	1.4
86.06074	0.8
86.09713	8.2
87.04462	4.6
89.06030	67.6
91.05471	4.1
93.07056	2.2
95.08629	1.9
97.02893	4.0
99.08099	1.2
101.06013	1.1
103.05511	1.3
103.07606	3.8
105.07021	7.3
107.04978	1.1
107.07099	1.3
107.08604	5.5
109.02859	1.2
109.06526	1.9
109.10177	1.1
112.08745	1.5
115.03973	1.1
115.08723	0.9
117.07040	0.9
117.09136	22.6
118.06923	0.8
118.07771	0.8
119.04959	1.8
119.08561	7.0
120.08126	4.3
121.06516	0.7
121.10168	3.2
123.04450	3.7
123.08131	1.3
123.11689	0.9
125.09650	0.9
127.03965	1.6
128.06245	1.1
129.07022	2.0
129.10266	1.7
130.08675	0.8
131.07104	1.0
131.08565	4.4
133.04988	1.4
133.08601	46.1
133.10213	2.3
135.08069	9.5
135.11700	1.9
136.07593	0.8
137.05994	1.5
143.08597	2.9
145.05038	1.4
145.10120	3.7
147.04422	2.6
147.08083	6.7
147.11703	6.2
149.09683	3.0
151.03905	12.0
156.09328	6.7
157.13474	0.8
159.09247	1.1
159.11754	1.1
161.11838	1.7
161.13298	2.8
163.11241	0.9
165.05467	1.6
165.09187	1.1
171.11681	13.0
175.13304	5.2
177.11237	13.9
177.12714	1.1
189.12732	11.2
195.12251	0.9
207.13812	39.1
219.10168	12.9
221.13914	3.2
239.15012	3.2
253.16504	1.2
277.85300	0.7
283.17618	2.0
327.20145	25.5
371.15091	0.9
385.24289	4.7
426.15454	0.9
443.28580	1.2
494.81393	0.8
501.32770	1.2
518.29102	4.9
518.79486	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	519.114
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
53.03918	0.8
55.01845	0.6
57.03403	1.9
59.05005	3.6
61.02890	1.1
64.06435	0.5
65.03911	0.8
66.92226	0.5
68.54371	0.5
68.99786	1.2
69.03399	1.7
70.06562	2.3
71.04971	0.9
72.08141	1.1
73.04737	1.1
76.02180	0.5
79.01827	2.1
81.03401	2.5
81.07039	0.7
84.04475	0.8
84.08117	1.5
85.02904	5.8
86.09679	2.3
87.00787	1.1
87.04452	0.5
89.06023	0.8
91.05434	0.7
93.03369	0.8
93.06967	0.6
93.14143	0.5
95.04940	0.6
97.02876	1.3
102.86521	0.6
103.03918	1.9
105.06982	0.8
107.08563	0.8
109.02832	1.6
109.06490	0.6
109.17470	0.5
109.53925	0.5
111.04413	0.9
116.07121	0.6
117.09129	0.9
119.04936	3.8
119.08487	0.8
120.05674	1.0
121.02015	0.9
121.02865	15.3
121.10036	0.5
123.00786	0.6
123.04416	1.1
125.02286	1.1
127.03894	1.7
129.01839	1.2
129.10210	0.5
133.10143	0.8
137.05965	0.9
141.01804	1.3
145.02806	1.9
145.10091	0.7
147.04382	0.8
149.02351	0.7
149.04538	0.6
153.01820	0.9
157.04988	0.5
163.03909	2.3
165.01848	8.6
165.12692	1.0
167.03387	1.1
167.05562	0.7
171.02873	0.6
175.03979	0.7
175.14828	0.6
177.01819	1.4
179.03406	1.1
183.02859	2.8
185.05901	0.7
187.03831	1.6
189.12637	0.7
191.03302	0.7
195.02895	2.0
197.05901	0.6
205.01349	1.2
207.06540	0.8
207.13736	1.0
210.06929	0.5
211.07620	1.1
212.14299	0.7
213.05437	2.8
215.03461	0.6
217.04921	1.4
227.07094	1.5
228.07848	1.0
241.04976	0.7
242.05518	0.7
243.02820	0.9
243.06529	2.3
255.06448	6.0
256.07297	7.4
259.06042	0.9
261.03891	1.2
267.06573	2.1
268.07376	0.9
270.05243	1.6
271.06027	6.2
279.06403	0.9
281.08072	0.7
283.06003	61.8
284.06772	28.1
285.07358	3.1
295.06009	38.1
297.07562	17.0
297.10950	1.2
299.05991	1.2
305.08163	1.0
307.05975	2.5
308.06677	2.6
309.07510	5.7
310.07974	0.5
311.05594	3.4
313.07050	100.0
314.07343	2.3
316.05722	0.6
321.07660	1.1
323.05429	1.8
323.09039	9.0
325.06982	4.7
327.08643	1.3
333.07620	2.8
335.05594	0.8
337.07031	19.2
339.23807	0.6
343.08063	5.8
350.02896	0.6
351.08588	3.3
355.08142	1.5
361.07031	4.0
363.08511	0.8
367.08167	1.5
379.08115	10.3
397.09131	5.6
415.10123	3.6
421.09052	0.8
433.11185	2.3
439.10281	10.7
457.11270	7.2
465.08380	1.1
475.12399	2.9
483.09259	8.3
501.10309	12.9
519.11316	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03953	3.2
53.62614	1.1
55.01881	1.4
55.05515	15.4
57.03448	4.6
57.07081	3.2
65.03959	1.2
65.63042	1.1
65.99479	1.3
67.05505	34.1
69.07067	13.2
69.54757	2.6
69.55168	5.1
71.05003	1.3
76.90280	1.2
79.05495	24.0
79.05921	1.9
81.07059	38.8
83.08627	9.0
85.06555	2.9
91.05482	22.4
91.06012	1.4
93.07050	30.2
95.04968	1.7
95.08612	28.0
95.09174	1.7
97.06560	4.4
97.10199	4.3
98.20786	2.5
99.08148	1.2
103.02805	1.0
103.05568	1.4
105.07034	25.2
105.07700	1.8
106.38512	1.2
107.08591	18.3
107.09198	1.6
109.10159	12.4
111.08086	2.3
117.07020	8.9
119.08578	23.4
119.09351	1.5
121.10153	15.8
123.08122	1.4
123.11773	4.7
129.07001	5.6
131.08562	18.7
131.09392	1.5
133.10121	20.0
135.11687	10.4
139.11189	2.0
141.07108	1.2
143.08611	5.2
145.10121	14.1
147.08066	1.4
147.11708	11.5
149.13217	5.6
155.08658	2.8
157.10112	6.2
159.11694	11.9
161.13252	6.3
163.11197	1.5
163.14917	2.4
165.12851	1.3
169.10130	1.6
171.11636	6.0
173.13266	10.0
175.14914	3.2
177.12848	1.3
183.11821	3.0
185.13358	4.2
187.14934	5.3
189.16513	1.3
197.13293	2.8
199.14977	3.3
201.16518	3.1
203.14433	1.3
203.18068	1.5
211.14908	2.4
213.14764	1.7
213.16534	2.6
241.18192	3.9
259.20651	2.8
271.20813	1.2
273.22229	1.8
299.23792	2.1
303.23346	1.8
313.25378	1.6
333.24640	2.0
405.30353	1.9
407.33347	4.2
425.34137	13.4
425.39255	1.5
427.01410	1.2
443.35287	6.5
459.33527	5.0
495.08200	1.5
499.37839	19.2
517.39264	100.0
518.39880	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	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77925	0.2
55.05519	0.7
56.05045	1.3
57.03431	0.6
58.06561	1.1
59.07383	0.4
60.08165	17.6
67.05505	2.6
69.07063	0.8
69.76477	1.3
70.06568	0.3
71.07372	7.0
71.41592	0.3
79.05488	2.1
81.07053	1.7
83.08618	0.3
85.84944	0.2
86.09705	51.2
87.10036	0.5
91.05481	1.3
93.07043	1.7
95.04938	0.3
95.08620	1.3
97.06572	0.3
98.98468	4.9
104.10744	100.0
105.07019	0.8
105.11072	0.6
107.08582	0.7
109.10159	0.8
110.20882	0.2
117.07062	0.3
119.08602	0.4
121.10183	0.5
125.00006	30.5
125.93837	0.2
133.10132	0.2
147.11629	0.2
163.01576	0.6
184.07339	97.7
185.07727	0.8
189.35518	0.2
205.86700	0.2
258.11008	1.1
335.25897	1.0
348.98486	0.3
354.63022	0.2
441.23962	0.4
485.47162	0.2
500.31372	7.8
518.32428	21.3
519.32556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15332	0.1
55.05505	0.2
56.05033	0.6
57.03434	0.1
58.06307	0.2
58.06627	0.5
59.07399	0.1
60.08164	6.8
67.05508	0.8
69.74187	0.5
70.48824	0.1
71.07374	3.5
79.05495	0.3
81.07055	0.5
86.09705	32.8
87.10023	0.3
91.05483	0.2
93.07050	0.4
95.08618	0.3
98.98465	3.7
104.10741	3.1
109.10135	0.1
115.22223	0.1
121.10191	0.1
125.00005	23.2
130.26237	0.1
134.78262	0.1
143.01126	0.1
160.96956	0.1
184.07339	100.0
185.07721	0.6
222.81770	0.1
258.10950	0.2
335.25623	0.1
369.43604	0.1
500.31454	0.8
506.96161	0.1
518.32343	1.2
525.64966	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.53510	1.0
53.03941	2.3
55.01868	1.5
55.05511	14.7
57.03441	6.4
57.07080	1.8
65.03945	1.7
67.05508	31.5
69.07072	14.4
71.04997	2.6
71.08640	1.1
79.05492	22.9
81.07054	35.4
83.04988	3.1
83.08610	8.3
85.06548	1.4
91.05478	19.4
93.07048	29.7
93.07649	1.7
95.04994	1.4
95.08604	29.1
97.06532	2.9
97.10180	5.4
99.08112	1.3
105.04554	1.2
105.07032	24.8
107.04971	1.6
107.08596	20.5
109.06553	1.2
109.10173	11.1
111.08092	1.6
115.23425	1.0
115.33775	1.0
117.07024	8.2
119.08585	26.3
121.06508	1.2
121.10142	13.5
123.08054	2.3
123.11694	5.7
128.06206	1.6
129.07013	4.1
131.08575	17.3
133.10129	18.4
135.11694	9.1
142.07773	1.2
143.08554	7.0
145.10124	16.9
147.11678	12.8
149.09653	1.6
149.13329	5.8
155.08578	2.5
157.10162	5.7
159.11693	13.4
161.13272	8.3
163.11172	2.3
163.14865	3.9
163.41699	0.9
169.10152	1.9
171.11711	5.2
173.13290	7.8
175.14832	5.1
177.12779	1.4
183.11740	3.2
184.07468	1.2
185.13284	5.9
187.14874	4.2
189.16371	1.6
195.11699	1.5
197.13219	1.5
199.14851	3.7
201.16505	2.1
211.14917	1.7
213.16403	3.4
215.17987	1.7
227.16258	1.6
241.18016	3.8
241.20004	1.2
245.18990	1.4
259.20667	4.3
271.88678	0.9
273.22354	1.2
275.20102	1.2
285.22336	1.2
287.23752	1.2
289.21793	1.1
299.23804	1.9
301.21774	1.1
301.25266	1.0
313.25278	1.4
315.23163	1.1
327.26852	1.1
331.26434	1.6
361.27353	1.4
389.26740	1.5
397.31256	1.1
405.29993	1.6
407.33090	3.7
419.32007	1.4
425.34164	14.0
443.35382	6.8
447.47760	1.1
481.36765	2.2
499.37863	19.8
517.39008	100.0
518.39215	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02370	1.0
53.03938	3.9
55.01865	2.1
55.05275	1.3
55.05514	14.5
56.57333	1.0
57.03439	5.2
57.07065	2.6
65.03936	1.5
67.05505	35.9
69.07076	15.4
69.41475	2.3
69.41884	4.1
71.04981	2.5
71.08639	1.0
77.03925	1.2
79.05496	24.9
80.59526	0.9
81.07058	39.6
83.04987	2.7
83.08627	8.1
85.06547	2.8
86.34212	0.8
91.05482	22.1
93.07046	31.0
95.04964	2.4
95.08607	29.5
97.06535	3.0
97.10165	2.9
97.27906	0.8
103.05466	1.4
105.07035	28.7
107.08600	19.3
109.06527	1.4
109.10165	13.8
111.08063	2.3
117.07031	7.4
119.08583	24.8
121.10146	14.2
123.08069	1.8
123.11689	4.9
129.05469	1.2
129.07011	4.8
131.08562	17.7
133.10135	17.4
135.08023	1.0
135.11699	11.8
137.09595	1.0
137.13211	1.2
143.08565	6.0
145.08965	0.7
145.10121	18.4
147.11687	12.8
149.09674	1.3
149.13304	5.8
155.08557	2.3
157.10126	8.0
159.11700	13.9
161.13251	6.8
163.11148	1.6
163.14842	3.3
169.10121	2.7
171.11671	5.2
173.13257	9.8
175.11226	1.0
175.14816	4.6
177.16409	2.1
179.14359	1.2
183.11739	3.2
185.13260	6.5
187.14836	4.4
189.12787	0.9
189.16417	2.2
197.13295	2.7
199.13141	1.4
199.14856	3.0
201.16391	2.3
211.14844	2.0
213.16466	1.9
215.17946	1.6
227.18121	1.4
241.17699	1.7
241.19839	1.8
245.19113	1.5
257.19141	1.4
259.20581	3.3
271.20676	1.2
273.22110	1.9
285.22183	1.5
287.23730	2.7
299.23828	2.5
301.22061	1.2
301.25375	2.4
313.25293	2.0
317.24786	0.9
327.27008	1.3
333.24124	1.7
361.27356	1.8
391.28537	1.3
405.30011	2.0
407.33237	4.4
419.31622	1.6
425.34158	14.5
443.35223	8.6
459.34396	1.1
461.36554	1.1
499.37875	21.4
517.38904	100.0
518.39478	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97290	0.4
60.04525	0.4
65.20038	0.5
70.06586	1.0
72.08147	0.7
73.27415	0.4
82.26031	0.4
84.04492	0.8
84.08135	1.1
85.02900	0.6
86.09701	1.1
91.05460	0.6
101.07150	0.7
115.05492	0.4
117.05756	0.4
117.07043	2.4
123.04462	1.0
129.14203	0.4
129.93391	0.4
130.46036	0.4
139.03905	0.5
143.07333	1.8
144.08086	100.0
145.08417	1.0
146.56662	0.4
161.10744	13.2
163.03941	0.6
230.34497	0.4
230.37105	0.6
249.07814	0.8
264.10037	0.5
266.10785	0.8
287.13589	0.7
383.77551	0.5
500.18338	2.7
517.20789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03945	2.8
55.01882	1.2
55.05275	1.0
55.05515	14.2
55.95047	0.9
57.03436	6.2
57.07072	3.7
65.03931	1.8
67.05140	1.5
67.05506	29.8
69.07069	12.8
71.04983	1.8
71.08644	1.7
79.05496	23.4
81.07061	34.4
83.05009	1.7
83.08622	6.5
85.06526	1.9
85.10184	1.1
89.06033	1.5
91.05482	22.2
93.07048	30.5
95.04997	1.6
95.08611	28.4
97.06552	2.3
97.10172	3.5
99.08093	1.0
105.07035	24.0
107.08595	19.1
109.06503	1.5
109.10151	11.2
111.08081	1.6
113.09663	0.9
117.07033	9.8
119.08581	24.3
121.10158	17.0
123.08080	1.1
123.11716	4.1
125.09605	1.5
128.06252	1.0
129.07013	5.4
131.08569	15.9
133.08623	1.2
133.10130	21.0
135.11685	10.2
137.13272	1.4
143.08592	4.6
145.10124	14.6
147.11699	12.6
149.09590	1.1
149.13295	6.0
155.08514	1.6
157.10153	4.6
159.11707	13.0
161.13232	7.6
163.11174	1.5
163.14845	2.9
169.10165	2.8
171.11682	6.4
173.13281	7.9
175.14856	3.6
181.10141	1.5
183.11723	2.7
185.13301	4.0
187.14877	3.6
189.16435	2.2
195.11783	1.6
197.13318	1.6
199.13300	1.1
199.14880	4.0
201.16431	2.4
211.14857	1.9
213.16588	1.6
215.18022	1.1
227.18073	1.5
229.14751	0.9
233.19034	1.2
241.18089	2.8
243.21211	1.1
257.19266	1.2
259.20654	3.0
273.18808	0.9
273.22183	1.6
285.22144	1.0
287.23615	2.1
289.21451	0.8
299.23776	1.7
301.25381	1.1
302.72549	0.9
313.25342	2.6
319.22815	1.1
327.26843	1.5
333.24176	1.9
349.30957	0.9
405.30365	1.2
407.33017	3.5
419.31348	1.6
425.34103	12.3
443.35608	5.9
447.31265	1.2
481.38031	1.1
499.37906	16.7
510.74039	0.9
517.38910	100.0
518.39392	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	517.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
55.01872	1.1
65.03928	1.1
67.05485	2.3
69.03414	2.2
70.06564	0.6
71.50309	0.9
74.00651	0.6
76.03992	1.4
80.04990	0.9
83.04988	3.0
83.06077	0.9
84.04503	6.8
85.02905	1.4
85.04030	3.1
93.03393	1.8
93.05780	6.2
94.06557	1.4
95.04937	2.5
99.00811	6.9
99.02673	0.9
102.87667	0.5
106.06526	0.7
110.06028	2.1
111.04451	5.5
112.03983	1.4
113.03484	1.2
117.01863	1.3
117.03392	0.9
117.05772	0.8
118.06542	1.2
121.02832	0.9
123.04418	4.5
124.02164	1.1
125.02960	12.5
126.03739	21.2
129.05449	2.1
129.06630	0.7
130.04985	4.4
131.04536	2.0
135.02634	1.7
135.04384	0.9
136.02174	9.2
136.07587	0.7
137.02319	1.1
138.03711	1.4
139.03873	1.9
144.08058	0.8
145.02852	0.8
146.05992	0.7
150.03723	3.7
150.05556	0.9
152.05247	1.3
154.03163	2.8
161.05901	0.7
162.03735	1.4
162.05444	2.8
163.03906	4.3
164.01714	0.9
164.07047	1.8
170.02734	2.8
173.17117	0.6
176.05287	0.7
177.03294	6.4
177.06853	0.9
178.03218	8.2
180.04855	1.2
180.06552	1.3
181.06226	0.6
182.02698	3.2
185.03754	1.9
189.05435	1.0
190.03265	0.7
191.05743	0.9
195.08037	0.5
196.04266	9.5
198.05763	0.6
205.06564	4.0
208.04245	0.7
209.06833	1.7
210.07637	9.8
212.09210	0.7
214.05319	1.7
223.07509	2.6
224.03745	8.0
227.05437	1.4
231.04311	5.9
233.06033	2.4
237.05476	0.7
242.04814	100.0
245.06169	0.8
251.07054	6.4
255.06448	1.5
261.05450	1.8
268.06430	7.4
269.08173	3.2
273.06085	6.9
279.06516	10.1
283.06027	2.1
285.09042	6.2
288.06497	0.9
295.07489	2.0
296.05829	9.4
297.07584	7.7
307.06006	2.7
313.08502	3.8
325.07043	6.5
337.08545	0.7
343.07959	0.7
351.10217	2.5
388.11703	10.3
430.65112	0.7
442.12857	2.1
499.12317	2.2
517.14679	0.6
518.44324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	11.9
53.03942	2.5
55.05499	2.7
65.03948	9.8
67.05146	2.3
67.05505	32.2
69.03086	2.5
69.03431	31.6
69.77953	2.4
69.78351	5.1
70.06597	13.6
71.01353	4.7
83.04989	44.2
84.04519	1.6
84.08157	1.9
85.02908	10.1
86.09711	3.0
86.19141	1.4
87.00815	3.5
93.03409	17.8
95.04973	26.2
99.00819	69.5
104.95808	1.5
111.04452	67.0
112.07594	8.8
117.01855	8.4
117.03369	1.5
121.02892	8.6
123.04425	35.1
126.03772	1.9
129.05476	27.2
135.04398	5.8
137.02397	2.5
139.03920	15.6
140.07098	5.3
141.07477	3.1
143.04936	4.2
147.04396	3.9
147.06471	3.0
157.04953	5.7
157.09695	1.8
161.05998	4.0
163.03922	21.8
164.07048	1.9
177.05537	2.0
177.07082	1.8
181.06558	2.3
189.05498	2.3
203.03406	1.7
205.06557	11.9
209.04442	12.7
209.08917	1.5
217.07173	1.6
223.07509	9.1
227.05496	31.9
227.07498	2.6
230.59702	1.4
231.04472	2.4
233.06140	7.7
235.07346	2.0
237.05490	1.7
241.06505	5.0
242.04663	2.7
242.06877	3.0
245.06587	6.2
251.07014	17.5
255.06450	6.0
261.05493	3.4
262.69043	1.6
269.08096	10.1
269.13394	1.8
273.06061	100.0
279.06522	34.1
283.06088	1.8
292.18900	1.6
297.07529	27.9
307.06030	4.3
325.07053	26.1
325.10580	2.7
337.08755	2.0
343.08194	10.2
499.12164	5.1
517.13025	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	517.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45511	1.4
53.00309	12.9
53.03936	3.4
53.62119	1.3
55.01867	2.3
55.05501	5.2
59.60823	1.4
65.03936	13.4
67.05506	33.2
68.99805	1.7
69.03083	2.5
69.03429	30.1
70.86612	3.1
71.01338	6.6
71.51674	1.3
77.03936	1.6
83.04981	47.9
85.02905	13.6
87.00822	2.8
93.03408	17.7
95.04968	31.5
99.00815	73.4
111.04446	68.8
111.05219	3.6
115.05472	3.4
117.01838	12.8
121.02865	6.9
123.04433	50.9
127.28731	1.5
129.05495	28.0
129.10258	1.5
135.04420	3.8
137.02336	4.4
139.03888	15.9
143.04930	6.4
144.08081	36.0
145.08388	1.4
147.04419	5.6
147.06604	1.9
157.04944	8.5
159.04462	2.2
161.06004	4.0
161.10741	5.7
163.03929	9.6
167.08617	1.9
177.07007	5.0
181.06490	2.9
187.03770	2.2
189.05457	4.1
191.03357	1.6
193.47966	1.7
195.07919	1.9
203.03337	2.7
205.04851	2.8
205.06520	22.8
209.04376	10.9
209.05933	1.6
217.07011	2.6
223.07561	19.3
226.06300	1.6
227.05472	35.0
227.07501	3.0
233.06090	18.3
235.07549	1.6
237.05455	1.9
244.07370	2.4
245.06563	5.5
250.06070	1.9
251.07042	41.0
255.06523	6.4
256.68509	1.5
261.05469	5.9
265.05115	1.6
269.08139	21.8
273.06049	100.0
279.06519	64.0
280.06860	2.5
283.06039	4.8
289.04993	2.0
297.07578	50.7
307.05988	16.2
325.07065	44.9
337.09174	1.7
343.08154	15.8
375.36346	1.6
499.12216	9.5
517.12360	2.6
517.20813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	12.1
55.01867	4.4
55.05505	5.5
62.08891	1.7
65.03948	14.2
67.05508	33.8
69.03432	31.1
69.91695	10.1
70.06601	1.7
71.01347	6.7
83.04989	36.8
85.02916	9.1
86.09657	2.1
87.00811	4.5
93.03423	17.7
95.04983	26.7
97.40387	1.7
99.00823	69.0
108.89693	2.0
111.03725	3.4
111.04456	59.6
117.01858	7.0
117.03378	2.7
121.02879	5.1
123.04433	40.4
125.02988	2.3
126.03772	4.9
129.05499	23.6
137.02342	2.2
139.03905	15.9
143.04878	2.2
147.04449	3.7
157.04918	4.3
159.04382	2.9
161.05949	5.3
163.03929	9.3
176.06171	1.7
177.06967	4.5
181.06499	2.6
187.03931	3.4
189.05498	5.3
195.08099	2.7
196.04332	2.7
203.03473	3.6
205.06509	20.5
208.08398	3.7
209.04373	12.7
223.07599	21.2
224.03755	3.7
226.31741	1.9
227.05464	32.4
231.04391	3.6
233.06181	17.0
234.06845	2.5
237.05333	2.1
241.06406	4.1
242.04782	15.6
242.06970	2.7
244.07292	2.8
245.06598	5.9
250.05984	2.0
251.07085	41.7
255.06584	7.0
261.05438	7.9
269.08133	21.5
273.06061	100.0
279.03564	3.7
279.06537	61.7
283.05988	2.6
289.04950	3.5
295.06177	2.1
296.06027	3.9
297.04318	3.7
297.07578	56.7
301.07300	2.0
307.05978	17.5
315.08051	2.3
325.07068	36.3
337.09479	2.5
343.08160	13.4
355.11407	2.7
496.48099	2.0
499.12604	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	517.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84905	1.1
53.00310	11.6
53.03704	1.0
53.03941	2.5
55.01860	2.0
55.05495	3.4
55.15925	1.0
55.71194	1.0
56.35503	1.0
65.03944	13.6
67.05505	31.4
67.97223	1.0
68.99787	1.5
69.03429	29.8
71.01343	5.8
71.03790	2.5
83.04977	40.6
85.02897	13.1
85.18898	1.2
87.00846	2.8
93.03400	17.1
95.04968	27.3
97.02879	1.3
99.00814	64.3
105.04505	1.4
109.95343	1.0
111.04438	69.1
115.05488	2.7
117.01867	10.0
121.02844	4.3
123.04429	39.0
129.05469	28.5
135.04405	2.6
137.02327	3.5
139.03899	18.2
140.28792	1.2
143.04915	4.0
147.04466	1.8
147.06499	2.0
157.04944	6.4
161.06009	8.2
163.03883	6.4
177.05475	2.6
177.06999	2.2
181.06470	1.7
189.05476	3.2
205.06508	11.8
209.04472	11.2
223.07542	10.4
227.05478	31.0
233.06117	10.1
237.05472	1.5
244.07243	1.9
245.06563	4.3
251.07008	23.7
255.06795	6.1
261.05502	3.0
263.07159	1.4
269.08127	12.0
273.06055	100.0
274.06421	1.3
279.06531	39.0
280.06857	1.3
283.06155	3.0
297.07568	33.9
299.09006	2.3
307.06067	6.1
325.07053	24.1
343.08188	11.4
347.95923	1.3
499.12204	5.2
517.13171	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	516.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90128	0.4
56.05034	1.7
69.03427	0.4
69.07065	4.4
70.06594	8.3
71.04981	0.7
71.49567	0.4
71.50010	0.4
72.08152	2.4
74.06087	3.7
80.38891	0.3
81.03402	0.5
81.07034	0.4
84.04500	1.2
84.08157	1.9
85.02906	1.0
86.09705	100.0
87.05615	0.4
87.10026	0.6
91.05473	0.5
95.04936	0.6
95.54281	0.4
98.06043	0.7
99.05589	0.4
101.07113	0.4
109.02818	0.5
109.06529	0.4
110.07149	0.6
116.07104	0.9
120.08099	1.3
124.07603	0.8
126.05519	5.4
127.03932	0.5
129.10242	1.4
130.08656	0.5
132.10217	0.5
133.10133	0.6
138.09152	0.6
141.10263	2.1
147.04375	0.6
157.13350	4.4
161.07135	0.4
163.03970	0.4
164.07463	0.5
169.09709	2.3
170.98470	0.6
173.12944	0.6
185.12839	4.3
189.12320	2.8
192.10173	0.4
201.12401	1.1
211.14442	0.8
215.14017	0.4
239.13914	18.6
257.14954	14.3
260.16202	0.5
282.18243	1.1
300.19254	1.1
315.47574	0.4
328.18668	25.4
353.21890	0.7
441.27133	0.9
498.20328	0.9
516.21460	2.5
516.29089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1346
Annotation	3,5-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
65.03931	0.9
67.05496	1.5
69.03431	1.6
69.52085	3.4
74.11723	0.6
79.05486	1.0
83.04987	1.5
85.02885	0.9
85.23927	0.5
88.13520	0.6
89.03914	8.2
93.03399	1.5
95.04957	2.3
99.00822	2.6
99.15627	0.6
107.04943	1.3
111.04429	2.8
116.12411	0.5
117.01841	0.6
117.03384	10.2
123.04410	1.2
129.05472	0.7
130.40540	0.5
135.04419	19.0
137.02354	1.3
139.03912	0.8
145.02859	9.9
163.03908	100.0
164.04155	1.0
170.80383	0.6
205.06535	2.9
217.07098	0.6
222.15962	0.6
223.07594	1.9
227.05522	1.8
233.05992	1.2
237.05429	0.7
251.07014	4.3
255.06464	0.8
265.05023	0.7
269.08038	1.7
273.06100	4.5
279.06506	16.9
283.06042	2.0
297.07565	7.3
301.06955	0.8
307.05917	1.1
319.08151	1.3
325.06955	2.6
337.09174	2.5
343.08163	1.8
408.19031	0.6
499.12146	1.7
517.12738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04562	2.9
53.03939	3.6
55.01857	3.7
55.05513	63.5
56.27009	2.7
57.03444	38.4
57.07077	69.8
58.07397	3.2
59.04987	13.1
59.50830	3.0
65.03921	4.7
67.05508	74.6
69.07068	90.6
71.04967	4.0
71.08633	50.2
71.50217	4.1
75.04458	10.6
78.94674	2.7
79.05490	31.4
81.07055	99.7
83.04976	4.6
83.08617	67.4
85.06542	4.7
85.10178	29.2
87.04461	3.2
89.06039	15.6
91.05453	10.3
93.07047	40.0
95.08607	100.0
97.06548	16.6
97.10172	43.1
101.06013	3.5
105.07018	7.6
107.08607	33.0
109.10157	52.7
111.08060	11.3
111.11726	14.9
115.07542	4.9
119.08568	5.7
121.10157	39.3
123.11707	20.1
125.09610	8.2
131.07013	7.6
131.08517	5.9
133.08621	4.2
133.10141	5.2
135.11682	32.8
136.16295	2.9
137.13252	7.3
139.11151	12.3
139.42818	2.9
145.10098	4.1
149.13268	18.6
151.14888	3.5
153.12694	5.6
159.11742	3.7
163.14806	12.4
163.65469	2.7
167.14314	4.3
177.16386	5.0
181.10245	3.0
181.15804	4.9
185.13368	3.3
191.17842	3.9
195.17303	4.0
209.18912	4.3
303.30353	8.3
321.31393	14.7
331.29855	14.9
349.31018	47.7
385.33136	87.0
423.34760	53.8
441.35757	76.3
497.38385	25.0
515.39404	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	516.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.09438	0.8
69.92138	4.0
70.06603	8.5
72.04509	2.1
76.03992	1.6
83.06084	1.7
84.04511	7.7
85.04013	5.0
92.01688	1.8
92.20560	0.8
93.05795	10.4
94.06581	1.2
96.93512	0.9
98.02396	1.4
99.00798	3.3
99.05595	0.9
106.06562	1.3
111.76036	0.9
112.03952	1.1
112.07599	8.0
116.03444	2.8
117.05711	1.0
118.06505	1.5
118.87623	0.9
125.02970	2.0
126.03734	42.5
128.05249	1.0
129.06598	1.5
130.04971	5.4
131.04546	2.9
135.02654	0.9
136.02164	14.1
138.03741	6.0
139.03195	1.2
140.07077	5.8
143.06348	0.9
145.06120	1.3
146.05968	1.5
150.03728	3.3
152.05310	2.1
153.06575	1.7
154.22601	1.0
155.07999	1.1
157.09738	1.2
159.02226	1.0
163.08685	1.5
164.01671	2.1
164.05263	2.9
176.05327	1.4
177.03278	9.4
178.03204	10.0
180.04761	2.8
182.02699	4.1
185.03806	6.7
192.04829	1.0
192.06519	1.9
193.06052	8.1
195.05827	2.7
196.04309	2.2
206.02678	3.1
206.06339	1.9
208.04240	1.0
208.08417	17.4
209.09198	14.0
223.05396	2.0
224.03758	27.1
226.05316	1.1
231.04337	26.1
231.06602	1.7
241.06412	100.0
243.08174	1.1
249.07115	1.1
250.05321	2.3
267.08008	8.0
278.04843	1.8
283.25949	0.9
284.10709	5.1
295.03354	0.8
295.07385	4.2
312.10062	1.2
316.13168	1.0
325.43399	1.1
341.54013	0.9
350.11407	2.0
370.10669	1.2
387.13306	24.8
423.13235	1.1
424.11841	1.2
441.14313	10.5
451.77151	0.9
516.17358	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01869	3.7
55.05515	20.8
57.03426	5.3
57.07069	2.4
65.03943	2.6
67.05506	58.9
69.07073	19.2
70.62836	3.8
71.01349	3.0
71.04984	4.3
77.03928	2.1
79.05495	59.7
81.03426	2.5
81.07056	43.6
83.04979	10.3
83.08620	7.7
85.06532	3.1
91.05484	36.0
93.07046	66.7
95.04946	7.0
95.08612	27.3
97.06564	9.5
97.10162	8.4
105.04514	2.3
105.07033	17.9
107.08593	35.0
109.10162	11.8
111.08083	1.6
117.07015	11.2
119.08575	18.6
121.10149	19.2
123.11729	2.2
125.09613	1.6
129.07011	4.0
131.08563	15.9
133.10138	10.2
135.11688	38.4
143.08546	5.2
145.10117	17.3
147.11674	4.7
149.13266	4.0
153.12720	1.7
155.08611	2.6
157.10144	6.5
159.11734	10.3
161.13313	4.7
163.11203	5.0
163.14871	1.5
168.96101	1.4
169.10094	2.1
171.11691	3.8
173.13275	6.0
175.14848	1.4
181.12251	5.2
183.11700	4.5
185.13199	3.6
187.14919	2.2
195.11745	1.8
199.13176	1.4
199.14828	2.3
201.16470	2.4
211.14935	1.9
223.14868	1.6
243.21031	1.4
261.22272	4.9
405.31717	2.0
423.32480	7.8
441.33789	2.4
459.34726	1.6
497.36243	2.9
515.37347	100.0
516.37628	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.2
53.03941	3.5
55.01867	2.7
55.05268	1.5
55.05511	16.8
57.03440	5.8
57.07065	1.8
61.29773	0.9
62.15723	0.9
65.03944	2.7
67.05507	41.6
69.07069	12.8
71.05000	2.3
71.08627	1.3
71.14796	1.2
71.15108	1.1
77.03923	1.1
79.05492	35.9
81.03421	2.2
81.07061	32.5
83.04969	4.6
83.08218	0.9
83.08629	6.5
85.06524	2.0
87.04526	0.9
88.21564	1.0
88.83395	0.9
89.06038	1.6
91.05483	26.2
93.07047	39.1
93.07641	1.9
95.04971	4.7
95.08612	20.0
97.06534	6.4
97.10187	5.3
99.08112	1.5
103.05495	1.0
105.04526	2.5
105.07034	19.2
107.08598	23.3
109.10162	11.3
115.05460	1.5
117.07011	9.0
119.08575	15.0
121.06558	0.9
121.10141	12.4
123.08096	1.0
123.11752	2.4
125.09654	1.3
129.06987	5.1
131.08586	13.7
133.10143	11.0
134.10469	1.0
135.08072	1.4
135.11690	25.3
137.09648	1.3
141.07050	1.3
143.08559	8.3
145.10135	14.2
147.11699	6.9
149.13251	3.1
153.12811	1.0
155.08571	3.4
156.36769	0.9
157.10114	5.2
159.08121	1.0
159.11696	9.0
161.13245	2.5
163.11171	2.6
163.14915	1.2
169.10150	3.3
171.11678	4.6
173.13274	7.9
175.14853	2.1
181.10249	1.9
181.12228	2.2
183.11722	2.3
185.13333	3.2
187.14873	2.1
195.11719	1.1
197.13307	2.8
199.14876	2.7
209.13316	1.6
211.14870	1.5
213.16428	1.9
223.14951	1.8
225.16486	1.1
237.16444	1.1
246.69785	1.0
261.22217	4.2
273.21835	0.9
311.23755	1.6
325.25046	1.3
405.31445	3.0
423.32547	10.3
441.33807	4.3
459.34851	1.5
497.36075	4.9
510.99457	1.0
515.37354	100.0
516.37433	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
55.01867	4.2
55.05512	20.7
57.03436	6.3
57.07075	2.8
65.03932	2.5
67.05507	56.9
69.07076	14.4
69.81145	2.8
69.81557	2.7
71.01341	2.3
71.05002	3.2
71.08637	1.9
79.05499	54.2
81.03427	3.3
81.07057	41.7
83.04991	9.3
83.08625	6.1
85.06534	3.4
89.31288	1.1
91.04908	1.6
91.05483	32.1
91.53010	1.0
93.07045	57.3
95.04964	5.8
95.08611	28.3
97.06522	8.4
97.10177	7.4
98.20856	1.2
99.08077	1.4
105.04551	2.5
105.07034	18.7
107.08592	32.3
109.06519	2.1
109.10158	11.9
111.08077	1.5
115.05483	1.5
117.07016	11.2
119.08586	16.3
121.10143	15.9
121.10931	1.2
123.08111	1.3
123.11731	3.1
125.09667	1.7
128.06216	1.7
129.07011	4.6
130.07791	1.2
131.08566	15.2
133.10136	10.8
135.08067	1.5
135.11696	35.8
137.09627	1.6
141.06972	2.0
143.08574	5.5
145.10124	17.6
147.11676	7.5
149.13272	4.3
151.11209	1.4
153.12788	3.0
155.08569	2.8
157.10115	4.8
159.11705	8.7
161.13214	5.0
163.11143	5.1
163.14810	1.7
169.10223	2.8
171.11745	5.4
173.13284	6.7
175.14938	1.7
181.12259	6.4
183.11720	3.0
185.13289	3.8
187.14862	3.5
195.11745	1.3
197.13309	1.9
199.14861	2.2
209.13200	1.2
261.22079	5.2
405.31473	2.9
423.32483	6.0
441.33795	3.5
497.36075	3.3
515.37366	100.0
516.37946	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99591	3.9
53.03943	9.1
55.05519	26.4
57.03436	7.7
57.07057	5.4
61.02924	5.2
65.03924	6.2
67.05505	100.0
68.80414	4.2
69.03439	5.7
69.07079	26.2
69.24652	27.9
69.25065	9.1
70.53597	4.0
71.05023	6.7
72.65428	4.6
77.03904	4.4
79.05490	84.8
81.03437	7.0
81.07058	97.5
83.04974	8.8
83.08620	11.6
85.02903	5.9
91.03948	4.8
91.05480	52.3
93.07045	81.4
95.04963	11.6
95.08613	68.7
97.02953	5.6
97.06525	13.5
99.08083	8.1
105.07030	43.8
107.08604	52.0
109.06525	5.4
109.10172	34.8
115.92112	4.1
117.07001	14.0
119.08576	34.2
121.10139	40.7
123.08063	6.4
123.11716	14.1
129.07024	5.9
131.08566	27.2
133.06505	4.4
133.08621	7.9
133.10135	26.0
135.11691	32.2
139.11118	5.2
143.08554	8.8
144.57959	4.0
145.10106	27.2
147.08014	4.7
147.11685	17.1
149.09554	5.0
149.13290	18.6
157.10080	8.7
159.11656	21.7
161.13234	14.2
163.14796	10.8
171.11711	5.7
173.13268	19.4
177.16298	4.4
181.10179	5.8
185.13126	4.9
187.14853	9.5
243.21085	16.8
261.22134	65.8
335.25806	15.4
345.24310	7.0
353.26880	11.7
422.82181	4.5
515.37201	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53531	4.3
53.03951	5.4
53.12460	4.7
55.01874	6.0
55.05508	25.4
57.03442	12.6
61.02913	7.1
67.05510	77.4
67.18006	4.5
69.03433	15.0
69.07071	24.8
69.41547	28.5
71.01344	5.0
71.04995	8.2
79.05492	56.0
81.03413	13.5
81.07062	100.0
83.08620	10.8
85.02877	11.7
87.04470	4.8
90.08690	4.7
91.03904	6.7
91.05488	37.5
93.07044	71.1
95.04984	11.6
95.05538	4.9
95.08611	60.8
97.02937	10.5
97.06530	9.1
97.10207	5.6
98.29564	4.5
99.08078	7.5
104.26322	4.8
105.07046	38.7
105.17722	4.7
107.08594	38.1
109.06501	10.8
109.10189	32.7
117.07031	17.9
119.08593	40.0
121.06484	7.8
121.10148	24.9
123.11699	14.2
125.09632	9.9
129.07030	6.4
131.08572	29.3
133.10117	21.1
135.08026	7.5
135.11682	18.9
139.11198	6.2
143.08549	10.5
143.33153	4.5
145.10149	29.0
147.08209	5.6
147.11725	24.7
149.13232	17.1
157.10086	10.4
159.11697	17.2
161.13286	8.0
163.14751	7.2
171.11737	6.4
173.13202	16.3
175.14836	6.7
185.13251	4.9
187.14857	5.6
203.14583	5.7
227.74519	5.2
243.21048	20.9
261.22156	41.8
285.22144	5.5
301.21860	6.9
303.23166	9.5
317.24792	6.1
335.25806	17.4
345.24008	9.2
353.26840	18.8
369.24304	9.3
387.25320	8.2
419.27756	14.7
497.30933	7.0
515.32953	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01876	5.0
55.05521	22.1
57.03420	8.5
61.02924	4.3
65.03912	7.4
67.05508	92.0
69.03426	8.0
69.07065	21.3
70.67048	4.5
70.67381	6.8
71.04970	3.8
79.05490	59.1
81.03423	3.7
81.06596	5.7
81.07059	100.0
83.04976	3.7
83.08602	10.0
85.02883	11.2
91.05482	32.4
93.06496	4.6
93.07048	66.8
95.04951	11.5
95.08614	82.0
97.02879	6.4
97.06529	8.0
97.10188	3.9
99.08154	4.8
105.07044	28.7
107.08596	42.9
109.06475	7.7
109.10166	35.4
111.08072	4.6
117.07030	19.9
119.08594	25.2
121.10144	39.6
123.04456	3.4
123.11710	19.8
124.99979	3.6
129.06998	4.4
131.08551	25.2
133.10133	24.9
135.08098	4.1
135.11702	25.6
137.13268	6.8
143.08530	5.7
145.10120	22.8
147.11731	19.6
149.13281	22.6
157.10159	5.5
159.11729	18.8
161.13243	10.5
163.14818	13.4
171.11745	3.9
173.13266	16.1
177.16318	5.6
177.59077	4.3
187.14830	11.8
206.00099	3.6
243.21088	18.7
261.22150	65.1
303.22989	4.7
335.25827	21.4
345.23849	4.1
353.26843	14.9
497.31290	6.9
515.37256	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05572	0.6
52.47821	0.7
53.03962	0.8
55.01863	1.1
67.05506	2.0
68.99777	1.3
69.03425	1.5
69.07047	0.6
69.75423	4.0
70.06599	8.3
72.08158	2.9
79.05505	1.2
80.05025	0.9
81.03423	1.6
81.07061	2.6
84.04509	1.2
84.08144	4.4
84.08582	0.7
85.02927	0.9
86.09711	10.2
87.04472	0.6
91.05494	2.4
93.07047	1.6
95.04988	1.1
95.08623	1.7
97.02911	1.1
97.06530	1.0
98.21478	1.1
102.05537	0.7
103.05504	0.9
105.07049	1.0
107.04980	1.9
107.08604	1.6
109.02870	1.8
109.06523	0.9
109.37828	0.7
110.07177	1.9
113.07132	0.7
115.08717	1.0
119.04977	3.8
120.08122	2.0
121.06496	2.2
123.04423	14.4
127.03935	1.6
128.06219	0.6
129.06972	0.8
129.10245	2.3
130.04915	0.8
130.06583	2.1
131.04951	0.8
133.06354	0.7
133.10168	0.9
135.04440	2.7
135.07982	0.8
135.11734	0.8
137.05960	1.5
139.03908	1.3
144.08086	16.5
147.04396	9.8
149.05974	4.6
151.03902	12.2
155.07278	1.6
156.08136	1.8
158.09727	1.5
161.06003	2.0
163.03891	1.0
165.05499	4.0
167.07228	0.9
168.08141	1.8
170.09641	7.8
174.09189	1.8
175.07722	0.7
175.09477	1.4
177.05478	45.9
179.07042	1.6
182.08389	1.8
182.09724	1.8
183.09151	1.0
184.09897	1.8
184.11264	4.2
185.57053	0.6
194.09801	0.8
196.11240	4.8
197.10800	2.8
199.12436	1.3
199.18065	1.5
203.07103	1.8
207.06561	1.9
208.11246	2.8
211.12331	1.5
223.08897	0.7
223.12369	1.3
227.08247	0.9
249.14685	0.8
267.15649	1.5
283.10907	1.7
303.08716	2.7
317.12939	1.6
317.16519	2.3
324.12946	1.2
329.10147	4.3
334.14368	1.9
343.14386	1.1
345.15976	16.1
346.14435	2.0
357.11084	1.0
363.13409	1.2
363.17072	25.1
383.15057	1.0
397.18204	0.9
411.19852	1.1
429.12283	0.7
429.20999	2.5
453.21347	1.4
471.22018	10.7
483.13550	0.8
497.20697	1.9
515.21686	100.0
516.22162	2.9
519.37823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01876	2.1
55.05505	2.8
56.05037	2.4
56.63469	1.1
59.05012	1.0
59.49567	0.9
60.04535	2.3
61.02912	1.1
61.83723	1.0
63.68507	1.1
64.92483	1.0
67.05510	2.0
69.03423	2.1
69.07060	1.5
70.06593	26.8
71.06898	1.1
71.49361	1.3
72.08159	16.6
74.06071	3.6
76.03968	1.0
79.05504	3.2
80.05007	2.0
81.03432	2.9
81.07064	2.5
83.06110	1.4
84.04508	7.5
84.08147	21.4
85.02909	3.3
85.08464	1.3
86.09707	33.7
87.10061	1.7
89.06036	1.7
91.05485	5.9
93.05843	1.5
93.07050	1.7
95.04989	1.6
95.08633	2.0
102.05574	2.5
103.05459	2.8
105.07045	3.0
106.05055	1.7
106.06566	1.6
107.04955	1.9
107.08632	1.2
109.02902	2.4
109.06532	1.5
110.06022	1.2
110.07176	7.9
118.06548	1.6
119.04945	6.9
120.08110	7.7
121.06528	3.1
121.10264	1.3
123.04428	22.5
124.02178	1.4
125.02934	5.9
126.03734	6.0
127.03920	2.1
127.08743	1.5
128.05359	1.5
129.10252	13.2
130.05025	4.4
130.06575	3.0
133.10167	2.9
135.04442	2.0
136.07623	2.2
137.06021	3.5
138.03740	8.3
140.05292	2.5
143.07376	1.2
144.08104	18.5
145.02887	1.1
147.04414	22.4
149.06006	4.5
151.03929	4.8
155.08209	2.0
156.08218	1.3
163.03893	1.1
165.05496	7.2
167.07225	1.3
168.08151	2.3
170.09714	5.9
173.06003	1.3
177.03311	4.3
177.05481	52.1
182.09709	1.4
184.04259	18.3
184.05710	1.5
184.09930	1.5
185.03897	1.7
185.16513	7.2
187.07324	1.1
192.10196	2.1
194.10025	10.0
196.11339	4.0
197.10806	2.2
199.12331	2.2
201.90782	1.0
207.06592	4.2
208.11403	2.3
208.13394	5.7
212.11043	1.7
213.16020	2.8
217.08597	1.5
225.13997	2.3
231.04448	4.0
231.12448	3.0
238.05402	1.6
240.10539	58.2
266.12103	5.2
283.10278	1.3
283.14853	2.7
284.12717	1.6
294.11633	7.5
303.08755	1.8
311.09952	1.1
311.14328	2.3
317.13138	1.5
317.16547	2.2
329.10165	8.6
345.15915	11.5
363.13196	2.7
363.17065	33.8
386.17737	4.8
402.72263	1.2
497.20560	2.5
498.19214	4.6
515.21893	100.0
516.22058	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	515.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98212	1.0
55.01899	1.1
67.05511	2.6
69.03423	1.3
69.45644	7.2
69.46087	2.0
70.06606	5.4
72.08163	1.4
74.06565	1.0
81.03402	1.9
82.46603	1.0
83.04987	2.6
84.04514	1.3
84.08128	1.6
84.90824	1.1
86.09708	1.5
89.94775	1.1
91.05462	2.0
92.02532	1.0
93.03388	1.1
94.35066	1.0
95.04955	2.9
106.05669	1.2
107.04986	1.4
111.04461	3.5
115.05429	1.5
116.07056	1.5
117.07031	1.1
123.04438	3.0
131.04906	1.2
135.04382	2.1
137.02306	4.9
139.03911	1.8
144.08092	100.0
145.08429	3.2
147.04430	2.3
150.05513	2.5
160.05202	2.6
161.10774	12.1
163.03906	2.9
165.07053	1.9
181.06454	2.0
187.03859	1.3
193.06462	2.5
195.08046	1.5
203.03316	1.8
205.06557	6.2
218.24887	1.2
221.06055	7.0
223.07558	15.8
231.02859	2.1
233.05986	7.7
234.06853	1.4
239.04745	1.6
239.07036	2.7
249.05536	14.6
249.07837	2.4
251.07027	17.0
252.07649	1.1
264.10223	4.7
267.06470	4.1
269.08057	6.8
274.52045	1.1
275.61920	1.1
277.04907	9.3
295.06036	31.6
295.09372	1.7
296.06351	1.9
297.07437	1.9
306.11340	2.0
313.07098	13.3
323.05453	11.6
324.12366	1.3
325.07004	2.2
335.86588	1.3
337.07178	4.0
341.06564	3.0
353.06412	3.9
361.78140	1.4
365.06662	2.4
367.08054	1.6
377.06519	1.3
395.07477	1.6
401.05215	1.1
469.11374	2.0
479.09671	1.9
497.10764	11.2
498.17447	5.8
515.11426	4.5
515.19098	2.3
515.32428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98212	1.0
55.01899	1.1
67.05511	2.6
69.03423	1.3
69.45644	7.2
69.46087	2.0
70.06606	5.4
72.08163	1.4
74.06565	1.0
81.03402	1.9
82.46603	1.0
83.04987	2.6
84.04514	1.3
84.08128	1.6
84.90824	1.1
86.09708	1.5
89.94775	1.1
91.05462	2.0
92.02532	1.0
93.03388	1.1
94.35066	1.0
95.04955	2.9
106.05669	1.2
107.04986	1.4
111.04461	3.5
115.05429	1.5
116.07056	1.5
117.07031	1.1
123.04438	3.0
131.04906	1.2
135.04382	2.1
137.02306	4.9
139.03911	1.8
144.08092	100.0
145.08429	3.2
147.04430	2.3
150.05513	2.5
160.05202	2.6
161.10774	12.1
163.03906	2.9
165.07053	1.9
181.06454	2.0
187.03859	1.3
193.06462	2.5
195.08046	1.5
203.03316	1.8
205.06557	6.2
218.24887	1.2
221.06055	7.0
223.07558	15.8
231.02859	2.1
233.05986	7.7
234.06853	1.4
239.04745	1.6
239.07036	2.7
249.05536	14.6
249.07837	2.4
251.07027	17.0
252.07649	1.1
264.10223	4.7
267.06470	4.1
269.08057	6.8
274.52045	1.1
275.61920	1.1
277.04907	9.3
295.06036	31.6
295.09372	1.7
296.06351	1.9
297.07437	1.9
306.11340	2.0
313.07098	13.3
323.05453	11.6
324.12366	1.3
325.07004	2.2
335.86588	1.3
337.07178	4.0
341.06564	3.0
353.06412	3.9
361.78140	1.4
365.06662	2.4
367.08054	1.6
377.06519	1.3
395.07477	1.6
401.05215	1.1
469.11374	2.0
479.09671	1.9
497.10764	11.2
498.17447	5.8
515.11426	4.5
515.19098	2.3
515.32428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
58.38226	0.2
63.02372	0.3
64.56911	0.2
65.03910	0.4
67.05487	0.4
69.03449	0.3
70.06592	1.5
70.22804	0.7
70.23158	0.4
72.08154	0.6
74.38765	0.2
75.22940	0.2
83.04976	1.0
84.04513	0.3
84.08111	0.4
85.02921	0.4
86.09717	1.3
89.03925	0.6
91.05494	0.6
93.03370	0.4
95.04955	0.3
103.05464	0.3
106.06543	0.6
107.04906	0.3
111.04442	1.1
115.05441	0.5
116.07050	0.2
117.03378	1.0
117.07034	2.6
118.06561	0.3
120.08105	0.3
123.04440	1.0
123.50890	0.3
126.49873	0.2
127.05406	0.3
129.10242	0.3
132.08084	0.8
135.04407	2.2
137.05997	0.4
139.03925	1.5
143.07298	1.5
144.08090	100.0
145.02852	2.1
145.06523	0.3
145.08434	1.0
150.80336	0.3
155.06041	0.3
161.10748	18.0
163.03912	16.0
184.07462	0.4
204.78793	0.2
264.10257	0.5
286.22519	0.2
441.37146	0.3
476.75815	0.3
498.17627	3.2
515.21222	1.2
515.38098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22058	0.4
55.05521	0.6
61.79202	0.5
65.03938	1.5
67.05495	2.1
69.03426	1.5
69.55798	3.0
70.06577	1.4
72.08164	0.7
77.03912	0.5
79.45338	0.5
83.04990	2.4
84.08145	0.8
85.02898	1.8
86.09718	1.2
89.03931	1.0
91.05470	1.9
93.03417	1.7
95.04950	1.1
97.02910	0.6
105.03412	0.6
107.04951	1.2
111.04458	4.0
115.05440	1.0
117.03376	1.6
117.06994	1.4
118.06534	1.5
119.04954	1.4
120.08117	0.7
123.04432	26.5
129.05502	0.7
129.07014	1.5
130.06549	2.8
132.08090	0.7
135.04410	4.2
137.02373	1.1
137.06013	2.4
139.03911	6.6
142.06522	0.6
143.04938	1.8
144.08089	57.7
145.02824	3.7
146.06024	1.2
146.09218	0.8
147.04425	5.3
154.06583	1.0
155.07304	0.8
156.08110	7.1
160.07611	1.2
161.05997	1.9
161.10738	5.9
163.03918	24.2
165.05502	0.7
166.82108	0.6
167.07318	0.6
168.08095	6.7
170.06064	0.8
177.10188	0.8
181.04916	0.7
184.07585	17.5
186.09125	0.5
188.07115	1.8
194.09633	0.6
196.07578	10.0
201.10280	0.6
202.08679	1.8
217.08972	0.8
218.09663	11.6
221.08263	0.9
228.86967	0.5
231.56451	0.7
232.11304	0.8
236.10670	0.7
246.09160	13.8
249.07858	27.6
250.08356	0.7
260.10864	1.2
262.08710	1.9
263.09344	1.2
264.10196	55.7
265.10498	1.2
266.11972	0.6
278.11795	4.0
288.09717	0.6
306.11249	18.4
311.05344	0.7
323.13834	0.6
324.12320	5.2
337.06937	0.7
365.06644	1.0
381.38596	0.5
395.07526	1.3
402.01859	0.6
456.16586	0.9
479.09921	0.9
480.16635	1.8
497.10904	1.5
498.17609	100.0
499.18005	2.2
515.12579	0.9
515.20410	10.5
515.27881	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47437	1.0
58.99852	2.4
62.17559	1.1
62.87155	1.2
66.77156	1.1
69.22079	9.0
70.99848	2.9
77.00913	1.6
82.99813	8.1
83.05418	1.0
86.99291	1.1
89.00893	4.1
97.02892	1.3
101.00879	36.9
107.50321	1.0
113.00877	11.6
115.02401	1.6
119.01920	26.0
125.00899	1.3
127.02452	6.6
129.00336	3.8
129.03981	1.2
131.01920	15.1
135.01402	1.6
137.00859	1.1
137.01984	1.0
139.02402	3.3
143.01897	84.7
145.03474	11.7
147.01392	7.9
153.03964	1.1
155.01881	40.0
157.03482	7.7
159.01376	4.9
161.02959	35.7
167.01904	22.3
168.99843	2.1
169.03441	6.2
171.01385	13.3
171.05017	3.1
172.99292	2.9
173.02963	28.6
175.00894	1.5
177.02431	10.5
179.01897	9.7
183.01418	1.5
185.02946	48.5
186.03079	1.3
187.00943	1.6
187.04546	3.8
189.02461	8.1
191.00369	8.0
197.02965	21.3
199.04529	1.5
201.02423	3.7
203.04018	10.9
205.01965	2.4
209.02974	2.3
215.00420	3.9
215.03975	7.8
216.96808	1.3
219.03627	1.4
221.05072	5.0
225.02429	1.4
227.03989	10.2
233.01416	61.3
234.01758	1.9
239.04053	1.8
245.01476	6.3
245.05070	100.0
246.05226	2.5
251.02435	15.6
257.05133	6.3
259.03076	1.4
261.04599	2.2
261.86292	1.1
263.02472	17.2
263.05890	7.7
264.02637	1.1
273.04556	4.6
275.06107	13.4
279.05603	1.2
293.03513	20.6
293.07068	4.1
299.02280	1.2
305.07144	8.5
317.03683	5.6
317.59384	1.4
335.04623	45.2
335.08234	5.2
353.05618	65.6
354.05981	2.4
365.09174	10.5
515.10876	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	515.1185
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
55.01874	1.1
55.05506	1.7
56.43176	1.0
56.53967	0.9
65.03933	1.7
67.05495	3.7
69.03416	1.5
69.84557	2.4
69.84951	2.4
70.06592	4.0
81.03403	1.0
83.04978	3.9
84.08157	1.1
86.09698	2.9
95.04963	3.9
109.02851	1.3
111.04427	4.4
116.07137	0.9
121.02881	1.5
123.04416	2.3
129.05405	1.5
130.95534	1.1
133.02811	1.2
137.02364	8.1
137.03366	1.6
139.03923	1.7
144.08096	14.0
145.46606	1.0
146.06012	1.5
159.09250	1.5
160.05180	6.0
161.05966	2.4
161.10715	2.3
162.03114	1.1
163.03902	4.5
165.06958	6.4
169.06615	0.9
173.02335	3.6
177.06990	2.2
181.06439	5.2
183.07980	1.0
187.03938	2.5
193.06511	4.5
195.08080	1.7
197.06000	1.0
201.10204	2.2
205.04665	1.2
205.06490	14.4
211.07408	1.1
221.05974	26.2
222.06656	1.0
223.07535	25.7
225.05515	2.9
231.02838	2.0
233.05971	8.9
239.06999	6.2
246.09048	0.9
249.05453	39.2
250.06119	2.8
251.07036	25.2
251.09599	1.8
253.04823	1.7
264.10144	4.6
267.06497	8.0
268.46722	1.0
269.08051	13.3
277.04959	28.5
278.05771	2.7
279.06528	5.5
281.04404	1.5
295.06015	100.0
297.07593	3.9
305.04340	2.7
306.11261	2.7
313.07059	19.8
323.05502	55.0
324.05951	1.3
341.06583	12.1
353.17075	1.1
395.07272	1.0
452.15475	1.4
469.11414	1.7
497.10751	13.0
498.17642	4.9
515.11670	14.7
515.21454	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	513.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01858	0.8
55.05512	11.1
57.07074	5.0
58.07394	0.7
65.03928	3.3
67.05505	41.9
69.03431	1.0
69.07072	7.1
70.06571	3.3
71.05005	1.3
71.08628	2.1
73.02917	0.9
77.03898	0.7
79.05494	31.1
81.03433	0.9
81.06586	1.4
81.07058	21.8
81.07527	1.3
83.04988	1.8
83.08620	2.6
85.06546	1.4
85.10184	1.0
88.07614	3.2
89.06009	1.1
91.05482	100.0
93.07042	25.1
95.04976	3.8
95.08610	15.1
97.06535	2.0
97.10151	1.4
102.09180	2.6
103.05462	0.8
105.04530	1.0
105.07031	44.2
107.04908	0.9
107.08589	13.5
109.06534	0.8
109.10166	5.7
111.08139	0.9
115.05463	2.0
117.07022	6.8
119.08585	10.4
121.06539	0.6
121.10142	9.6
123.08086	0.7
123.11724	2.2
128.06218	3.7
129.06995	3.6
131.08568	9.8
133.10132	98.2
134.10413	1.1
135.08115	0.9
135.11687	10.1
137.09564	0.7
141.07021	1.9
143.08562	7.5
145.10117	6.4
147.11676	3.9
149.09641	2.6
149.13274	2.6
151.11212	4.4
155.08585	2.3
157.10143	2.7
159.11705	4.3
161.09610	16.5
161.10938	1.1
161.13280	2.5
163.11209	0.8
163.14726	0.7
167.08594	1.9
169.10184	2.0
171.11732	2.7
173.13307	3.7
179.10696	2.7
181.10130	1.0
182.11009	0.7
183.11694	2.9
185.13281	1.4
187.14812	0.9
193.10139	1.1
195.11678	1.4
197.11748	4.1
197.13306	1.3
199.11145	0.8
199.14867	0.9
207.11650	0.7
209.13329	1.0
210.80432	0.6
211.11215	0.9
211.14841	1.2
221.13263	1.0
243.21051	1.5
256.26328	5.8
257.26688	6.1
261.22174	3.0
283.26382	4.5
284.26724	5.3
333.24493	0.8
403.29858	1.8
421.31055	5.8
439.32077	1.4
495.34888	3.4
513.35760	65.7
513.50641	24.3
514.35974	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	513.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01858	0.8
55.05512	11.1
57.07074	5.0
58.07394	0.7
65.03928	3.3
67.05505	41.9
69.03431	1.0
69.07072	7.1
70.06571	3.3
71.05005	1.3
71.08628	2.1
73.02917	0.9
77.03898	0.7
79.05494	31.1
81.03433	0.9
81.06586	1.4
81.07058	21.8
81.07527	1.3
83.04988	1.8
83.08620	2.6
85.06546	1.4
85.10184	1.0
88.07614	3.2
89.06009	1.1
91.05482	100.0
93.07042	25.1
95.04976	3.8
95.08610	15.1
97.06535	2.0
97.10151	1.4
102.09180	2.6
103.05462	0.8
105.04530	1.0
105.07031	44.2
107.04908	0.9
107.08589	13.5
109.06534	0.8
109.10166	5.7
111.08139	0.9
115.05463	2.0
117.07022	6.8
119.08585	10.4
121.06539	0.6
121.10142	9.6
123.08086	0.7
123.11724	2.2
128.06218	3.7
129.06995	3.6
131.08568	9.8
133.10132	98.2
134.10413	1.1
135.08115	0.9
135.11687	10.1
137.09564	0.7
141.07021	1.9
143.08562	7.5
145.10117	6.4
147.11676	3.9
149.09641	2.6
149.13274	2.6
151.11212	4.4
155.08585	2.3
157.10143	2.7
159.11705	4.3
161.09610	16.5
161.10938	1.1
161.13280	2.5
163.11209	0.8
163.14726	0.7
167.08594	1.9
169.10184	2.0
171.11732	2.7
173.13307	3.7
179.10696	2.7
181.10130	1.0
182.11009	0.7
183.11694	2.9
185.13281	1.4
187.14812	0.9
193.10139	1.1
195.11678	1.4
197.11748	4.1
197.13306	1.3
199.11145	0.8
199.14867	0.9
207.11650	0.7
209.13329	1.0
210.80432	0.6
211.11215	0.9
211.14841	1.2
221.13263	1.0
243.21051	1.5
256.26328	5.8
257.26688	6.1
261.22174	3.0
283.26382	4.5
284.26724	5.3
333.24493	0.8
403.29858	1.8
421.31055	5.8
439.32077	1.4
495.34888	3.4
513.35760	65.7
513.50641	24.3
514.35974	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	513.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01878	1.7
55.05512	13.1
57.07080	9.7
57.79420	1.3
59.04995	1.7
64.56334	1.3
65.03942	3.2
67.05504	49.4
69.07070	9.7
70.06591	3.7
71.04982	1.9
71.08616	6.6
73.02898	1.7
79.05496	34.8
81.07053	30.3
83.04977	3.2
83.08633	5.8
85.06541	2.6
85.10173	4.9
88.07643	6.5
89.06035	5.4
91.05479	99.7
93.07042	32.9
95.04961	6.7
95.08606	19.0
96.37116	1.2
97.10178	1.7
100.70868	1.3
102.09187	3.6
105.04517	1.9
105.07034	50.8
107.08598	18.7
109.06529	1.6
109.10165	7.9
115.05444	2.4
117.07019	11.6
119.08589	13.7
121.06525	2.3
121.10140	14.8
123.08093	1.1
123.11708	2.7
128.06232	3.4
129.06996	7.4
131.00041	1.2
131.08560	15.8
133.10129	99.9
135.11685	15.1
141.06973	4.3
143.08549	13.0
145.10117	10.7
147.11687	5.9
149.09612	4.4
149.13277	3.2
151.11212	7.3
155.08528	5.2
157.10155	6.2
159.11713	6.5
161.09625	18.7
161.13287	3.5
163.11220	4.0
163.14868	1.7
166.07837	1.3
167.08542	1.3
169.10167	3.3
171.11688	7.5
173.13277	4.0
175.14948	1.3
179.08594	2.3
179.10712	3.6
181.10162	4.2
183.11699	6.1
185.13281	4.7
187.14877	3.3
189.12752	1.4
195.11748	4.8
197.11707	3.5
197.13345	3.9
199.11227	2.0
199.14836	1.6
207.11731	2.0
209.13281	3.0
211.11125	1.6
211.14830	2.6
213.12788	1.9
213.16312	2.2
221.13249	1.7
225.16405	2.2
228.23094	1.5
237.16498	2.5
239.17986	2.4
243.21100	2.0
249.16423	1.9
253.19360	2.3
256.26337	7.1
257.26743	6.1
261.22183	5.6
263.17987	2.1
283.26450	7.1
284.26633	8.3
284.53729	1.4
317.24814	2.4
337.25226	1.5
347.24454	1.2
403.29990	4.4
411.32825	1.2
421.30936	17.3
429.29523	1.5
439.32220	2.5
495.34705	7.7
512.50122	2.5
513.35742	100.0
513.50702	33.1
514.36151	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	513.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.05515	11.4
57.07076	6.1
62.91500	0.9
65.03922	4.8
65.15153	0.9
67.05505	44.9
69.03449	1.3
69.07069	8.0
71.04990	2.1
71.08633	2.8
79.01478	1.0
79.05494	32.6
81.03428	1.2
81.07055	27.7
81.52795	0.9
83.04971	2.7
83.08629	4.2
85.06551	2.2
85.10181	2.2
87.81735	1.2
88.07664	1.5
89.06017	2.5
89.75462	0.9
91.05482	100.0
92.62794	1.0
92.90557	1.0
93.07046	31.6
95.04946	4.7
95.08610	17.8
97.06532	2.0
97.10194	2.6
98.21600	2.0
102.09184	1.5
105.04486	1.1
105.07033	45.9
107.08589	14.9
109.06519	1.9
109.10161	7.9
115.05486	1.6
117.07012	8.6
119.08583	12.5
121.10140	12.4
123.11761	1.5
125.09604	1.0
128.06215	6.2
129.07030	6.3
131.08583	14.7
133.10130	100.0
135.08092	1.2
135.11685	11.3
141.06950	2.1
142.07823	1.7
143.08557	10.4
145.10130	7.8
147.11696	4.3
149.09641	1.1
149.13249	2.9
151.11163	5.2
151.49080	1.0
155.08582	3.9
157.10080	4.9
159.11710	7.1
161.09621	18.0
161.13284	3.1
163.11156	1.7
163.14937	1.4
167.08553	1.7
169.10162	3.8
171.11690	5.0
173.13292	3.2
175.14742	1.1
179.08490	1.4
179.10719	3.8
181.10092	2.8
183.11696	5.7
185.13286	3.5
187.14824	2.1
195.11757	2.7
197.11751	2.9
197.13165	2.4
199.14888	2.7
209.13318	1.6
211.14894	2.5
213.16457	1.3
220.23523	1.0
223.14784	1.6
225.16451	1.7
229.34554	1.3
235.14890	1.5
237.16338	1.1
255.17438	1.2
256.26376	2.3
261.22165	2.7
283.26395	1.5
403.30136	4.2
421.31018	10.5
439.32217	4.6
495.34891	5.5
513.35797	90.1
513.50244	7.4
514.35895	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03938	3.1
53.32069	2.9
55.01856	3.9
55.05516	14.0
56.59791	2.8
57.03424	6.1
59.55548	3.1
60.82071	3.1
61.02925	14.3
67.05511	33.4
69.03417	9.6
69.07066	12.3
70.06580	8.0
71.04972	5.4
72.08173	4.1
73.02927	4.7
79.05492	29.7
81.03418	7.1
81.07055	43.1
83.04988	4.2
83.08625	6.4
84.08140	7.7
85.02905	11.7
86.09695	7.0
91.03951	4.2
91.05490	32.3
93.07051	43.4
95.04957	6.4
95.08604	25.0
97.02889	5.4
97.06538	5.1
105.07034	35.9
107.08605	20.0
109.06561	5.4
109.10152	9.6
113.30105	2.8
117.06982	8.9
119.08587	26.6
120.08115	7.5
121.10135	21.7
123.11705	6.4
127.03941	3.6
129.06995	8.2
129.10216	3.9
129.56371	2.8
131.08562	17.1
133.10114	32.3
135.11708	21.8
143.08563	5.9
145.10101	14.7
147.11682	26.5
149.09622	3.0
149.13307	14.1
152.76884	2.8
155.22072	3.0
157.10048	5.4
159.11687	14.9
161.13240	22.9
163.11177	5.1
163.14789	4.8
171.11710	11.4
173.13210	9.8
175.14862	9.5
185.13226	6.1
187.14864	4.1
189.16493	3.3
197.13214	3.9
199.14761	5.0
210.93961	3.2
241.19493	18.9
259.20566	49.5
267.15839	5.8
277.21570	6.7
285.16959	4.4
300.11990	3.5
321.65286	3.8
333.24219	7.8
349.23889	4.5
351.25308	100.0
367.22403	3.2
371.21814	6.2
441.26273	6.3
477.28159	4.6
495.29413	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.3
57.03418	18.0
67.05501	56.9
69.07059	21.8
69.50586	10.4
70.74837	27.7
70.75219	11.1
72.08140	18.5
79.05479	49.9
81.07069	100.0
82.83504	10.5
83.08603	18.0
84.04544	11.2
84.08121	33.8
85.02902	12.0
86.09702	26.6
91.05476	47.8
93.07056	54.8
95.08590	46.1
105.07031	36.2
107.08575	20.4
112.47743	10.8
117.07056	11.1
119.08573	48.7
120.08122	15.3
121.10141	35.0
123.11664	20.0
129.10278	12.0
131.08539	15.3
132.91968	10.6
133.10077	17.0
135.11682	12.3
145.10114	18.7
147.11665	76.4
157.10136	14.8
165.05972	11.6
165.12747	27.6
187.99553	11.2
241.19400	13.6
259.20624	20.8
263.15039	12.9
267.15988	55.2
285.16919	45.8
331.09134	10.5
351.25244	45.1
359.10052	12.5
381.05560	11.2
393.69742	12.1
495.29242	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.7
55.72279	3.5
57.03431	6.1
57.07077	3.4
60.66196	3.2
61.02925	20.8
67.05510	24.2
69.03430	6.5
69.07047	8.3
69.55881	20.2
71.04968	4.9
79.05499	32.5
81.07059	26.9
83.08624	7.3
84.08134	4.3
85.02895	12.3
91.03958	4.8
91.05497	24.0
93.07048	38.6
95.04984	4.4
95.08620	20.5
97.02883	9.4
98.20705	3.2
105.07034	23.6
107.08590	24.2
109.10159	9.4
117.06973	5.7
119.08588	24.7
121.10127	18.7
123.08066	3.5
127.03936	6.1
129.06992	8.1
131.08557	17.4
133.10133	19.3
135.11684	23.0
143.08560	6.9
145.10126	13.4
147.11705	22.3
149.13240	13.5
157.10146	8.1
159.11679	15.1
161.13205	15.7
163.14809	4.5
171.11681	9.4
173.13255	8.2
175.14867	9.4
180.81152	3.4
185.13300	5.4
199.14790	3.7
231.21265	5.6
241.19513	17.7
259.20557	43.9
277.21570	8.1
327.33023	3.5
333.24268	7.0
349.23795	4.6
351.21170	6.2
351.25296	100.0
459.27356	4.7
495.29376	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	513.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
55.05486	1.3
61.60779	1.2
65.03935	2.8
67.05480	4.1
69.61659	7.5
70.02956	1.3
70.06596	6.4
72.08167	1.3
81.87172	1.2
83.04996	8.4
84.04508	1.4
84.08138	2.0
85.02894	2.9
86.09706	2.3
91.05489	1.6
92.77954	1.4
93.03381	2.2
97.02880	2.2
98.20738	1.5
106.29056	1.3
110.07185	2.9
111.04446	3.8
115.05456	2.9
117.06992	2.1
123.04440	6.2
129.10207	1.5
130.06543	10.3
132.08044	4.1
135.04417	15.4
136.03979	1.3
136.07585	1.6
137.02347	8.9
138.05476	2.8
139.03947	2.4
142.06548	2.9
143.04924	3.1
144.04436	5.4
144.07019	2.1
144.08087	26.4
145.02850	2.7
147.04427	7.0
156.08078	3.8
157.07590	1.8
158.06017	4.9
159.09180	22.5
161.06013	7.7
162.05522	2.4
163.03912	21.2
167.07307	50.4
168.08086	8.9
170.05981	4.8
178.05008	5.8
180.08093	15.1
183.06699	1.4
194.05977	1.7
194.09546	2.0
196.05977	2.5
203.08575	2.0
204.08098	29.5
205.08865	2.8
206.09605	3.5
217.08879	2.6
218.09637	5.1
220.11319	2.4
222.09068	5.8
229.08745	1.9
230.09654	54.6
231.08022	2.4
231.10155	2.4
232.07553	25.8
233.08296	6.5
234.09145	4.2
236.15520	1.3
246.09126	3.3
248.10750	8.9
249.07799	4.6
250.08629	96.0
251.08835	2.7
257.08389	7.0
258.09146	62.9
259.09753	2.7
261.07825	4.0
262.08612	17.2
263.09430	3.9
264.10138	5.9
266.11880	2.1
274.08609	5.3
275.09329	3.1
276.10211	92.9
277.09885	6.3
278.08115	14.6
278.11395	3.0
279.11304	32.6
286.08646	25.0
289.07318	5.7
292.09668	36.5
303.11292	44.6
304.09665	100.0
310.10648	2.9
321.12338	79.4
322.10498	8.9
369.03009	2.3
370.11432	2.2
384.96246	1.4
385.15735	1.3
387.03738	1.6
470.14343	5.5
478.14914	2.2
482.18066	2.7
484.16150	15.3
496.16034	61.0
496.23242	3.1
513.18622	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	511.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69201	0.2
53.25636	0.2
56.68614	0.3
70.06570	0.4
81.03447	0.3
84.04465	0.3
84.08115	0.3
85.02906	0.3
86.09718	0.4
91.05494	0.3
115.05433	0.5
116.07030	0.3
117.07024	1.9
119.04955	0.4
120.08070	0.3
121.02866	0.3
122.06107	0.3
127.03944	0.5
129.10229	0.3
132.08051	0.3
136.07550	0.3
143.07277	1.1
144.08084	100.0
145.08427	2.0
146.79207	0.2
155.06049	0.4
161.10742	16.8
162.09149	0.4
163.03896	1.3
175.03995	0.4
177.01883	0.3
195.02872	0.4
203.03394	0.6
229.35728	0.3
287.46500	0.3
295.05997	3.3
321.07553	1.1
335.09070	0.5
349.06982	2.1
361.07141	0.4
364.03561	0.3
379.08105	0.4
391.07953	0.8
409.09247	1.0
427.10153	2.8
433.13776	0.2
511.12128	0.4
511.23544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.7
63.16936	1.5
65.03943	2.8
67.05495	4.7
70.02946	2.5
70.06594	20.3
71.49590	2.3
72.08141	2.5
74.06114	1.6
74.39384	1.3
76.11407	1.3
83.04987	9.7
84.04518	1.8
84.08139	4.5
85.02905	4.0
86.09711	8.5
89.03895	2.2
90.47662	1.4
91.05470	2.7
93.03430	1.9
93.07039	2.1
95.04956	7.0
97.02871	2.1
109.02850	2.1
110.07180	2.4
111.04375	6.7
115.05430	3.4
117.03375	1.4
118.06567	1.3
118.98435	1.2
123.04427	9.0
128.02481	1.5
129.10289	3.0
130.06506	7.9
130.60277	1.4
132.08080	5.2
135.04419	15.0
136.03888	2.1
136.07594	7.8
137.02319	7.0
138.05508	3.3
139.03900	3.3
142.06509	4.5
143.04900	2.2
144.04451	4.9
144.08098	24.8
147.04401	5.7
156.08051	5.6
158.06012	3.4
159.09172	20.8
161.06053	7.0
163.03889	18.7
164.07040	13.0
167.07314	33.0
168.08046	8.5
170.06026	2.4
178.04939	1.9
180.08086	10.5
182.08131	3.4
184.07579	2.1
185.07086	1.6
194.06030	2.1
194.09753	2.4
196.05991	3.2
204.08107	25.1
205.08969	1.9
206.09753	1.8
218.09595	3.5
220.11169	2.2
222.09158	5.2
222.33246	1.4
227.45262	1.7
228.08112	1.8
228.68814	1.7
230.09637	39.9
232.07573	27.0
233.08382	5.3
234.09180	5.0
236.07042	2.6
244.08009	3.5
248.10738	5.2
249.07828	4.5
250.08644	100.0
251.08881	2.9
252.10164	2.5
257.08377	7.0
258.09155	48.8
259.09988	2.6
261.07907	3.8
262.08640	16.1
263.09360	3.8
264.10294	9.4
266.11572	1.9
274.08698	3.0
275.09570	3.3
276.10202	84.9
277.09988	2.8
278.08176	10.2
278.11780	5.3
279.11301	36.8
286.08682	17.4
289.07401	5.3
292.09631	24.8
303.11267	35.8
303.13855	1.5
304.09662	81.1
305.09906	2.7
308.11166	1.9
310.10748	3.4
321.12320	54.4
322.10693	9.9
326.12454	2.4
343.19748	2.1
353.25500	1.6
370.11337	2.2
470.14243	3.7
478.15024	3.7
484.16006	16.4
495.17642	4.2
496.15979	66.4
513.18701	49.5
513.29993	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.0
55.01863	18.2
55.05516	31.3
57.03430	17.4
61.02932	26.2
67.05507	58.3
67.65150	3.7
69.03435	25.1
69.07067	31.9
70.06577	4.9
71.04975	15.9
71.05338	4.1
71.49565	5.1
73.02909	14.7
79.05142	4.0
79.05502	45.6
80.38186	4.2
81.03429	40.3
81.06606	4.5
81.07064	79.9
83.04977	14.5
83.08610	14.3
85.02915	37.5
85.06541	4.4
91.03942	14.4
91.05482	66.2
93.07047	42.3
95.01319	7.3
95.04971	19.7
95.08614	36.3
97.02895	31.3
97.06532	28.8
97.10155	6.6
99.04472	5.3
99.08064	4.9
101.02379	6.0
101.06023	4.9
105.06404	6.7
105.07041	91.6
107.04961	18.6
107.08612	26.3
109.02864	6.0
109.06534	4.3
109.10159	14.6
111.04431	7.8
111.08100	7.8
117.06997	15.6
119.08585	48.6
121.06494	5.4
121.10125	17.4
123.08024	6.4
123.11694	5.4
125.09639	5.7
127.03891	11.4
129.07047	5.6
131.08582	32.5
133.10138	63.8
135.08064	11.4
135.11708	15.8
138.30923	4.2
141.06905	4.5
143.08495	6.8
145.06447	5.2
145.10153	23.4
147.11700	21.5
149.09563	13.9
149.13234	4.6
151.11165	5.5
157.10152	8.2
159.11678	15.2
163.11165	12.2
165.09146	5.5
165.12755	6.4
173.13271	5.5
175.11162	4.9
177.12724	5.3
179.14308	15.4
180.44678	4.6
193.12224	7.8
201.07494	4.0
211.04854	3.9
211.13321	13.7
227.12762	8.3
229.14294	4.7
257.18939	8.5
267.15948	6.1
275.20084	100.0
285.16943	5.4
328.92242	4.7
349.19980	5.5
349.23810	31.7
467.30515	7.0
493.27823	6.7
511.27884	6.9
529.62415	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32975	2.7
52.08381	3.1
53.03942	11.9
55.01872	15.6
55.05518	18.8
56.56509	2.6
57.03425	12.1
61.02928	39.6
62.98183	2.7
67.05183	3.7
67.05508	55.5
69.03435	27.3
69.07071	33.4
70.02758	6.1
70.03166	8.0
71.04992	11.7
71.18413	2.6
73.02914	15.9
79.05494	42.1
81.03421	32.6
81.07055	67.8
83.04972	9.9
83.08624	15.9
85.02908	33.2
88.71152	3.1
91.03971	16.7
91.05486	56.8
93.07044	40.8
95.01332	9.1
95.04935	12.7
95.08603	33.8
97.02885	27.0
97.06529	30.5
97.10175	6.5
99.04443	5.3
101.02390	8.9
103.05492	4.1
105.07034	80.3
107.04958	23.2
107.08608	19.0
109.02882	9.8
109.06545	3.6
109.10133	10.3
111.08097	4.8
115.26381	2.8
117.07003	19.5
119.08583	40.4
121.10139	9.1
123.04417	3.4
123.08069	5.0
123.11729	6.1
125.09613	4.3
127.03911	11.9
129.06952	4.2
131.08560	23.0
131.71277	2.9
133.10124	55.4
135.08052	6.3
135.11703	12.1
139.07578	3.5
143.08611	3.9
145.06453	4.1
145.10126	22.4
145.84712	2.8
147.08112	3.0
147.11679	16.6
149.09657	8.8
149.13261	6.5
151.11172	5.0
157.10168	5.8
159.11676	18.0
161.09653	5.3
161.13284	5.8
163.11276	3.0
169.10167	5.7
171.11780	3.5
173.13388	3.2
175.11133	3.1
177.12762	6.7
179.14351	21.9
183.11601	4.3
184.07298	5.2
187.11206	3.2
193.12219	6.5
197.13240	3.6
229.19624	2.6
241.14301	3.0
247.20651	3.2
257.19031	10.1
275.20059	100.0
293.21143	3.6
349.23749	39.8
511.28485	8.6
511.33850	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	511.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09883	0.4
54.10141	0.3
54.66900	0.4
65.21441	0.3
66.50668	0.3
66.90301	0.3
69.36972	2.8
70.06586	1.1
77.83852	0.3
81.03457	0.3
86.09695	0.7
88.13668	0.3
110.07159	0.4
119.04980	0.5
121.02888	1.4
123.46519	0.4
127.03870	0.5
135.04459	0.5
137.33934	0.3
143.08224	0.4
144.08087	6.8
145.05074	0.3
161.10793	1.3
180.57330	0.4
195.02988	0.5
203.03535	1.0
217.04976	0.7
271.06070	0.5
277.38773	0.4
278.22366	0.3
295.06061	4.6
297.03894	0.6
321.07703	1.1
335.09238	0.5
349.07050	2.7
349.18323	12.6
362.02081	0.4
379.08337	0.8
391.08243	0.9
409.09204	0.7
427.10245	4.1
433.09375	0.4
453.50497	0.4
468.56625	0.4
511.23654	100.0
512.24011	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	510.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
55.46193	1.1
57.03442	2.7
57.07076	100.0
59.05002	50.9
67.05499	1.3
69.07082	2.8
69.36273	3.1
69.36682	6.2
71.08631	73.3
77.75795	1.2
81.07032	1.6
83.08620	2.6
85.10185	63.9
87.04428	1.3
89.06030	16.2
95.08638	1.7
97.03659	1.1
97.10160	3.2
99.11735	12.2
100.10707	1.2
101.09663	3.5
103.07583	1.6
113.13277	4.6
117.09133	21.7
147.10172	5.5
148.77713	1.1
155.17935	8.9
205.14360	3.2
213.22128	16.6
223.15503	2.3
254.24741	1.4
271.26355	17.9
510.42917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44818	2.9
59.34627	2.4
68.05025	6.6
70.02971	2.7
70.06585	2.9
71.49059	4.8
72.04514	3.0
76.93467	2.4
80.05026	2.6
83.06131	2.7
84.04472	3.3
85.02885	3.2
89.23373	2.6
91.05482	43.6
94.02911	15.3
95.01334	29.6
95.06089	2.9
95.78653	3.3
96.04485	6.9
97.04017	39.1
99.05565	6.3
103.05489	3.4
105.07046	3.1
107.02415	6.0
109.03995	9.4
110.66299	2.7
111.05567	10.5
113.02336	4.9
120.08105	100.0
121.04001	3.5
122.09648	3.0
123.05527	4.5
124.03924	4.1
124.50811	3.0
125.03490	3.4
132.04439	2.7
134.05974	3.1
137.03445	31.0
137.07158	2.8
138.01797	3.5
139.05005	4.5
141.96657	2.8
142.04933	3.2
143.04529	8.1
146.06036	5.9
147.05531	3.3
149.03407	6.3
155.04518	4.0
162.05507	3.2
163.01334	3.1
163.03835	5.4
165.02919	3.1
166.08623	41.6
170.04520	5.4
173.05679	3.0
175.05092	4.7
175.08688	31.2
177.02905	3.6
178.06270	4.2
181.02432	12.7
183.04042	7.8
187.05106	6.6
188.07048	6.7
193.06114	11.6
195.04013	5.4
202.06091	24.0
203.04503	19.0
204.07790	3.9
205.06175	3.5
211.03534	7.9
211.07063	13.8
213.05009	4.3
220.07132	18.4
221.09142	21.5
222.08884	3.2
229.08203	36.4
231.04037	11.6
238.08237	3.6
249.05145	3.5
255.06154	12.0
260.92892	3.0
267.06161	6.0
273.07153	13.1
289.11905	5.1
301.93320	3.6
302.11414	5.1
314.11267	13.3
332.12399	5.4
349.15079	4.9
370.14011	3.7
371.12286	4.1
389.13263	5.3
395.13568	13.0
396.11807	10.0
413.14496	13.3
414.12869	6.9
431.15631	5.6
432.13934	6.8
449.16684	9.7
494.14386	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	510.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.9
57.07079	100.0
59.04715	1.6
59.05006	32.5
69.07069	2.5
70.08536	1.9
70.08952	4.1
71.08633	90.2
73.02921	29.1
83.08635	3.3
85.10186	68.5
87.04470	1.7
87.08099	1.2
89.06036	7.6
97.10165	2.8
99.11729	10.2
101.09658	2.9
103.07574	2.7
103.09547	1.1
109.10094	1.2
113.13276	3.1
117.05529	1.1
117.09142	9.4
133.08611	2.9
141.16365	2.6
155.17953	8.7
185.18962	2.3
195.12331	5.7
205.10745	5.7
213.22150	13.2
223.11816	1.9
243.23198	4.6
253.16573	2.1
271.26358	6.5
397.74945	1.1
510.39145	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	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70536	4.1
55.05510	14.7
56.72017	5.2
57.07077	77.7
61.02914	4.5
62.87511	5.5
66.13573	5.5
67.05506	27.8
69.07070	9.5
71.08630	64.1
71.49989	5.2
75.04484	5.2
79.05482	8.8
81.07048	35.0
83.08606	14.2
85.10181	35.8
86.09678	8.3
87.04488	8.3
89.06019	12.7
91.05492	15.1
93.07019	5.9
95.08610	32.0
97.10164	5.7
99.07403	4.1
104.10728	17.9
105.06988	12.3
109.10125	21.6
123.11687	7.1
133.08577	8.4
133.10110	8.3
134.10437	5.7
184.07378	9.4
197.11652	5.6
208.72968	5.7
213.18385	9.4
227.20055	11.6
239.23750	32.8
312.14682	5.8
313.27362	100.0
314.37485	5.3
325.60788	4.8
331.28555	13.7
385.26404	4.5
510.38519	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	510.3546
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
52.49691	0.5
52.64515	0.5
52.92596	0.5
55.05504	1.9
56.05038	1.2
56.09485	0.6
57.03437	0.8
57.07074	6.7
58.06602	1.3
60.08166	15.7
67.05518	1.4
69.07053	0.7
70.06597	0.6
71.07372	7.4
71.08636	4.0
81.07043	2.8
83.08629	0.9
85.10197	2.8
86.09706	56.7
87.04469	0.7
89.06039	0.9
91.05476	0.9
95.08616	3.3
98.98469	3.1
104.10744	100.0
109.10165	1.6
121.10183	0.7
125.00004	31.3
184.07343	99.9
239.23711	1.1
245.41937	0.6
258.11111	1.7
258.91031	0.6
264.11502	0.6
264.61899	0.6
265.79263	0.6
313.27478	4.8
327.28909	2.0
330.94211	0.6
349.81180	0.7
492.34503	9.0
510.35550	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	510.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.05507	4.0
57.03432	1.4
57.07070	0.5
62.06083	0.7
67.05513	4.4
69.03425	0.8
69.07079	3.9
69.44060	4.3
70.06592	1.3
72.08145	0.7
79.05500	5.2
81.07058	22.2
83.04992	3.0
83.08620	1.9
84.08152	1.1
86.09689	1.4
91.05476	3.1
93.07043	4.6
95.04948	1.2
95.08620	5.7
97.06518	1.1
97.10154	0.9
101.09727	0.6
105.07028	3.4
107.04971	0.9
107.08597	4.3
109.06522	12.3
109.10172	2.9
111.04445	15.6
111.08060	0.9
117.07005	0.9
119.08600	4.3
120.08085	1.2
121.06499	0.9
121.10171	4.0
123.08071	1.3
123.11732	2.4
125.06008	4.3
131.08571	2.6
133.10153	4.7
134.10533	0.6
135.08089	2.7
135.11700	4.9
137.05981	100.0
137.13272	1.8
138.06355	0.9
139.07498	0.8
142.07809	0.7
143.08572	2.2
145.10115	1.2
147.08038	1.5
147.11687	6.3
149.09630	3.9
149.13255	1.2
151.07574	2.8
151.11198	1.0
157.10172	1.8
159.11838	0.8
161.09631	6.9
161.13261	1.6
163.11208	2.2
163.14828	1.6
165.09099	3.1
165.12840	1.0
167.10663	0.9
171.11693	1.5
175.11200	5.0
175.14816	1.3
177.12833	0.6
179.10696	2.2
181.10106	1.4
181.12215	0.5
189.09157	0.8
189.12788	1.7
193.12259	1.5
198.05226	0.7
203.18011	6.1
208.40747	0.5
213.16249	2.9
216.06351	1.5
221.19029	1.6
231.17401	7.2
241.15916	1.5
249.18527	7.7
277.17999	61.1
278.18381	1.4
279.88214	0.7
295.19046	7.2
320.22238	3.4
351.21677	56.3
352.22052	1.2
369.22733	28.0
370.23193	1.0
431.18222	1.3
459.34531	0.6
474.22543	1.1
492.23587	1.8
510.24677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01866	12.1
55.05513	54.6
57.03426	15.2
57.07074	3.7
65.03930	4.1
67.05510	76.8
69.03417	12.9
69.07073	29.1
70.06595	7.5
71.04998	20.3
79.05070	6.4
79.05496	82.6
81.03429	44.9
81.06592	6.0
81.07057	100.0
83.04983	19.0
83.08624	42.7
84.08118	4.5
85.02898	22.4
85.06534	8.2
86.09684	5.1
87.04454	5.1
91.05483	80.3
93.07050	63.2
95.04973	61.4
95.08596	35.8
96.80360	3.9
97.02899	8.2
97.06523	15.7
97.10175	28.8
99.00812	13.1
99.04481	3.6
99.08068	4.1
101.06006	5.6
105.07039	53.8
107.04972	49.8
107.08598	50.3
109.02870	13.1
109.06518	40.7
109.10178	27.2
111.04436	8.4
111.08068	14.3
117.06998	13.6
119.08594	31.5
121.06506	32.6
121.10138	44.2
123.04437	7.8
123.08058	14.9
123.11699	17.0
125.09644	31.4
128.06232	5.6
129.06992	15.5
131.08563	38.9
133.06476	4.8
133.10130	46.9
135.08066	21.7
135.11676	12.2
137.06007	7.8
137.09615	5.9
139.11217	4.8
141.07024	5.2
143.08572	12.0
145.06509	12.6
145.10101	17.6
147.04369	5.2
147.08041	6.2
147.11691	16.8
149.09625	16.3
151.03889	6.8
151.11186	10.7
153.09044	8.0
155.08525	4.9
157.06471	4.9
157.10121	8.8
159.11632	7.5
161.09599	20.8
163.11183	15.8
165.05589	4.4
165.12721	4.9
167.10727	7.9
168.09431	4.0
169.10149	4.6
171.08014	5.9
173.13217	9.8
175.11168	10.9
177.12791	4.2
179.10658	9.7
181.10126	5.8
189.09230	7.2
189.11243	22.0
191.14281	11.0
193.12225	39.8
195.11679	3.7
199.13254	17.0
199.14845	4.6
201.12761	5.4
205.12245	8.0
207.10188	6.0
211.13272	35.2
219.13795	30.7
223.13350	11.2
225.11205	8.8
227.12799	19.8
229.34883	4.4
233.15411	6.7
249.14890	4.3
255.13794	4.6
261.14935	4.0
267.15909	5.4
273.14474	6.0
273.17044	12.6
293.17456	17.0
311.29599	4.7
349.21725	13.5
367.22803	29.9
385.23691	26.5
399.20712	3.9
403.24863	8.5
417.21082	3.9
441.26361	8.4
459.27451	25.9
473.29141	5.1
477.28372	10.3
491.29767	14.6
509.26892	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	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01866	12.1
55.05513	54.6
57.03426	15.2
57.07074	3.7
65.03930	4.1
67.05510	76.8
69.03417	12.9
69.07073	29.1
70.06595	7.5
71.04998	20.3
79.05070	6.4
79.05496	82.6
81.03429	44.9
81.06592	6.0
81.07057	100.0
83.04983	19.0
83.08624	42.7
84.08118	4.5
85.02898	22.4
85.06534	8.2
86.09684	5.1
87.04454	5.1
91.05483	80.3
93.07050	63.2
95.04973	61.4
95.08596	35.8
96.80360	3.9
97.02899	8.2
97.06523	15.7
97.10175	28.8
99.00812	13.1
99.04481	3.6
99.08068	4.1
101.06006	5.6
105.07039	53.8
107.04972	49.8
107.08598	50.3
109.02870	13.1
109.06518	40.7
109.10178	27.2
111.04436	8.4
111.08068	14.3
117.06998	13.6
119.08594	31.5
121.06506	32.6
121.10138	44.2
123.04437	7.8
123.08058	14.9
123.11699	17.0
125.09644	31.4
128.06232	5.6
129.06992	15.5
131.08563	38.9
133.06476	4.8
133.10130	46.9
135.08066	21.7
135.11676	12.2
137.06007	7.8
137.09615	5.9
139.11217	4.8
141.07024	5.2
143.08572	12.0
145.06509	12.6
145.10101	17.6
147.04369	5.2
147.08041	6.2
147.11691	16.8
149.09625	16.3
151.03889	6.8
151.11186	10.7
153.09044	8.0
155.08525	4.9
157.06471	4.9
157.10121	8.8
159.11632	7.5
161.09599	20.8
163.11183	15.8
165.05589	4.4
165.12721	4.9
167.10727	7.9
168.09431	4.0
169.10149	4.6
171.08014	5.9
173.13217	9.8
175.11168	10.9
177.12791	4.2
179.10658	9.7
181.10126	5.8
189.09230	7.2
189.11243	22.0
191.14281	11.0
193.12225	39.8
195.11679	3.7
199.13254	17.0
199.14845	4.6
201.12761	5.4
205.12245	8.0
207.10188	6.0
211.13272	35.2
219.13795	30.7
223.13350	11.2
225.11205	8.8
227.12799	19.8
229.34883	4.4
233.15411	6.7
249.14890	4.3
255.13794	4.6
261.14935	4.0
267.15909	5.4
273.14474	6.0
273.17044	12.6
293.17456	17.0
311.29599	4.7
349.21725	13.5
367.22803	29.9
385.23691	26.5
399.20712	3.9
403.24863	8.5
417.21082	3.9
441.26361	8.4
459.27451	25.9
473.29141	5.1
477.28372	10.3
491.29767	14.6
509.26892	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	509.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.6
55.05509	26.0
56.05023	17.0
56.05304	4.2
57.03419	6.0
57.07067	9.4
58.61366	4.9
59.04989	4.4
59.29874	4.2
61.01146	5.8
67.05505	53.5
69.03427	22.3
69.07062	20.3
70.06599	54.8
71.04985	9.3
71.50534	7.8
72.08138	15.1
79.05495	28.5
81.03406	17.4
81.07056	83.3
83.04969	7.5
83.08601	10.7
84.04514	8.5
84.08163	28.0
85.02893	14.7
85.06546	100.0
86.09715	48.9
87.05589	7.0
87.09990	4.7
89.06018	8.5
91.05489	22.6
93.07041	43.6
95.04976	8.1
95.08604	76.3
97.02906	11.3
97.06487	7.2
104.88742	4.3
105.07052	30.6
107.04940	6.0
107.08601	48.6
109.02872	7.7
109.06514	7.9
109.10161	44.4
110.07166	5.9
111.08067	6.7
117.07033	10.0
119.04884	6.9
119.08597	28.5
120.08124	42.2
121.10137	30.8
123.04413	11.6
123.11720	12.0
124.07654	5.9
125.09669	11.3
127.03925	5.0
127.11131	5.0
129.10246	14.6
130.08655	4.7
131.08574	11.3
133.08635	4.8
133.10124	15.8
135.11697	21.8
136.07631	7.8
137.05949	19.6
137.09557	5.3
143.08423	6.2
145.10138	15.3
147.04419	9.3
147.11644	13.1
149.09579	9.2
149.13257	19.8
151.03816	10.4
151.07558	6.9
153.05396	7.0
159.11649	8.1
161.05879	6.6
161.13272	10.6
163.14728	6.8
165.05493	20.1
165.09161	11.5
175.14838	10.5
177.05498	6.1
201.08702	10.5
201.12584	5.8
201.16345	5.6
245.22618	5.1
257.22708	8.2
263.23721	7.7
275.23672	12.9
281.24829	7.1
285.14853	5.8
293.24820	23.9
311.16537	7.8
311.25339	7.3
329.17505	5.4
329.26825	6.1
335.14148	6.5
347.18542	11.8
412.23370	5.3
461.93924	4.8
503.87015	5.4
509.23151	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.3
55.01868	12.6
55.05515	66.8
57.03434	11.5
57.07061	4.8
67.05504	68.3
69.03452	10.1
69.07052	14.5
70.06584	19.6
71.03728	7.3
71.04055	6.2
71.04984	10.5
79.05079	5.4
79.05500	78.1
79.96611	4.1
81.03432	13.6
81.07059	70.1
83.04975	21.0
83.08630	31.3
85.06528	8.0
86.09696	12.8
91.05484	66.6
93.07048	56.0
95.04964	21.9
95.08607	27.8
97.02892	5.9
97.06573	9.3
97.10173	62.9
99.00813	9.1
105.07037	53.4
107.04924	14.9
107.08591	52.6
109.02876	11.6
109.06483	13.1
109.10149	14.7
111.08049	10.4
114.44222	4.1
115.05434	5.1
117.07020	30.4
119.08572	37.0
120.08068	15.5
121.06493	13.7
121.10137	37.4
123.08058	9.0
123.11732	8.7
125.09645	56.2
128.06187	7.1
129.06975	22.0
131.08553	71.9
133.06512	8.9
133.10123	39.8
135.08044	16.0
135.11676	13.6
141.06981	13.0
143.08524	15.1
145.06575	11.1
145.10123	25.6
147.08028	10.5
147.11670	21.2
149.09663	34.5
151.11157	7.8
153.09074	8.6
155.08553	25.2
157.10132	32.3
159.08015	13.2
159.11703	11.4
161.09621	21.8
163.11214	14.5
165.06998	5.8
167.08557	8.9
168.09335	6.7
169.10025	9.4
171.08058	11.0
171.10249	7.5
171.11690	11.2
173.09587	8.8
173.13235	26.8
175.11214	16.7
177.12694	5.7
181.10100	7.5
183.11731	35.5
185.09589	12.0
185.13188	5.3
189.09265	7.1
189.11235	34.5
189.12672	6.4
193.12299	12.6
195.11771	6.6
196.55328	4.7
199.11174	9.5
201.12772	36.7
203.10623	6.0
205.12141	5.1
211.11218	9.0
219.13812	57.0
223.13306	5.3
225.11261	15.9
227.10759	7.6
227.12773	42.1
229.12250	18.2
237.12721	10.2
267.15878	28.8
281.13870	8.1
295.98193	4.6
299.14795	27.2
307.20529	6.4
317.18771	5.3
323.77762	4.8
335.20126	22.4
353.21188	29.0
363.19489	13.8
371.22192	24.9
380.36591	4.7
381.20554	22.2
389.23251	36.9
399.21457	20.5
407.24182	53.8
408.80618	5.0
428.25720	4.8
445.25833	89.1
446.26108	5.4
455.24292	8.2
463.26868	100.0
473.25436	37.6
481.27841	6.5
491.26306	91.1
492.26538	4.8
509.26794	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	509.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30298	2.4
51.50512	2.2
55.01850	3.0
55.05498	3.8
56.05028	2.8
57.03429	2.7
61.15734	2.1
66.13497	1.9
67.05488	7.6
69.03448	4.6
69.07063	3.9
70.06599	14.2
70.40206	7.0
72.08153	5.4
72.85412	2.1
78.06880	1.9
79.05478	8.2
81.03401	4.9
81.07058	16.1
83.06088	2.4
83.08667	2.5
84.04494	2.4
84.08114	6.9
85.02885	4.5
85.06552	4.1
86.09708	14.3
89.06004	2.3
91.05476	19.0
91.25986	2.0
91.76828	1.9
93.07053	10.8
94.04218	3.3
95.04967	6.9
95.08591	6.4
97.02895	3.6
97.06525	3.5
103.05451	7.3
105.07031	9.2
107.04934	7.9
107.08611	6.8
109.02940	2.6
109.06490	6.1
109.10116	5.4
113.49355	2.2
115.05464	3.8
117.06979	6.5
117.57131	2.8
119.04933	13.9
119.08571	4.9
120.08092	9.3
121.06487	5.9
121.08395	2.7
121.10105	4.1
122.03635	9.2
123.04398	2.7
123.08063	7.5
128.06175	4.1
129.07018	11.6
129.10237	4.7
131.04909	7.0
131.08521	4.9
133.06490	4.2
133.10132	4.8
135.04471	2.7
135.08051	5.2
135.11693	4.0
136.05197	3.3
136.07523	2.3
137.05986	100.0
139.03870	3.0
141.06972	3.5
143.04944	4.0
145.06410	4.1
145.10101	2.8
147.04390	5.8
147.07993	3.0
147.11636	3.4
148.05112	3.1
149.06003	3.7
149.09633	3.8
151.03885	7.2
151.06334	2.4
151.07552	46.8
157.06462	7.5
159.08093	4.7
160.05170	3.0
161.05992	60.8
161.09608	15.3
163.03955	2.3
163.07564	11.1
165.05495	3.4
165.09138	13.4
167.06987	2.9
174.06718	5.3
175.07549	28.5
177.09090	6.2
179.08456	2.9
189.09091	38.0
193.08531	2.7
195.08467	2.6
195.10175	17.3
207.08206	4.0
207.10121	29.7
219.08032	4.1
219.10121	4.2
221.05940	5.6
223.07535	2.8
225.09160	4.3
233.05981	2.8
237.09113	7.5
239.10655	2.9
240.07733	2.9
248.08435	3.0
249.09071	6.1
251.10701	2.9
253.08490	2.7
264.07693	2.4
265.08554	9.7
267.10349	4.8
270.08734	2.6
277.08588	9.9
277.11920	4.1
278.09390	2.4
279.10251	5.4
281.08130	4.9
283.09589	5.0
285.11212	9.0
291.10007	3.2
293.08160	2.9
295.09732	3.7
296.10474	2.6
297.11230	19.0
299.12860	3.6
305.11667	4.5
308.10464	4.2
309.11060	6.6
311.12869	21.2
317.13928	3.5
323.12732	7.0
337.14328	14.1
343.15445	2.9
355.15378	15.2
367.15509	7.0
479.20554	4.1
509.27347	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	509.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.2
65.15604	0.7
69.60812	4.1
71.55461	0.6
77.07664	0.8
82.99899	0.8
84.99912	0.6
97.02909	3.4
98.97572	3.7
101.00865	2.4
116.98610	2.0
119.01942	4.1
134.99699	0.7
137.02927	0.9
158.99925	1.8
176.76546	0.6
177.00948	8.3
182.99890	1.0
201.00954	2.9
216.98961	1.1
217.04121	2.5
217.99051	0.9
219.02010	21.8
220.02185	0.7
225.01015	2.6
235.00011	1.4
240.98814	1.2
242.98605	1.4
243.02002	15.0
258.99908	5.9
260.00015	3.2
261.03064	100.0
262.03149	4.6
263.02979	1.8
275.18024	0.7
276.97845	0.9
277.01025	2.4
278.01147	2.0
279.00830	2.8
282.99963	10.4
284.00143	7.1
284.04742	1.0
284.99762	7.7
285.99936	1.2
286.99405	1.6
300.97830	0.7
301.01025	9.1
302.01212	7.0
303.00900	6.1
304.00961	1.1
305.00604	1.2
358.95715	0.8
360.99966	1.9
367.02167	2.8
385.03281	29.1
386.03433	1.4
400.96893	1.2
401.01358	1.8
402.01471	1.9
403.00159	4.4
403.05118	15.5
403.45969	0.9
416.95636	0.7
425.01184	2.5
426.01538	4.0
427.01086	1.1
443.02136	3.0
444.02512	6.2
445.02066	1.7
483.20627	0.7
499.99295	0.9
508.96475	4.0
509.03198	9.2
510.03271	0.9
527.01331	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	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05491	2.1
56.05038	1.5
57.03426	1.9
60.21089	1.2
65.03905	1.7
66.04704	1.3
66.17580	1.5
67.05489	5.1
69.03426	2.5
69.07056	1.9
70.06594	8.0
71.49884	1.8
72.08136	3.1
79.05505	5.9
81.03409	2.4
81.07056	7.0
83.04979	1.2
84.04494	1.5
84.08135	4.0
85.06513	1.4
86.09718	7.2
91.05486	17.0
93.07028	3.3
94.04158	3.8
95.04950	3.0
95.08595	5.1
97.02905	1.4
103.05469	6.0
105.07005	5.6
107.04954	9.0
107.08559	3.4
108.05732	1.3
109.02892	2.1
109.06496	3.4
109.10148	3.6
115.05453	5.1
117.07017	5.0
119.04952	8.2
119.08564	2.4
120.08075	4.4
121.06490	7.0
121.10078	2.0
122.03638	9.2
123.04433	2.2
123.08051	4.4
127.03780	1.2
128.06224	3.0
129.07050	6.6
129.10196	2.2
131.04942	5.8
133.06477	3.0
133.10175	1.4
135.04424	2.4
135.08070	2.4
136.05150	1.2
137.05980	100.0
138.06328	1.4
143.04922	2.5
145.06482	3.5
146.03616	2.1
146.07292	2.3
147.04419	4.0
147.08003	2.8
148.05199	1.9
149.04944	1.1
149.05931	7.0
149.09653	2.1
151.03920	3.5
151.07544	41.4
157.06508	4.6
157.10120	1.7
159.08035	1.5
160.05194	2.5
161.05986	38.2
161.09572	5.8
163.07549	10.4
165.07002	2.9
165.09216	6.7
167.07013	3.2
170.07127	1.6
174.06764	4.2
175.07549	25.5
177.05429	1.5
177.09099	5.7
178.07631	1.6
179.08536	1.7
181.06422	1.4
187.07501	1.8
189.07304	2.0
189.09105	23.4
191.07008	2.0
191.08521	1.8
191.10677	1.5
195.08112	3.0
195.10139	18.5
199.07349	1.5
203.08592	1.6
205.06451	2.6
206.07208	2.1
207.08182	2.3
207.10135	16.0
211.07506	1.8
213.09099	2.2
219.08109	4.1
221.05948	3.6
221.09615	1.4
222.06735	2.3
223.07574	2.1
224.99316	1.3
225.08969	2.6
228.55710	1.3
231.08104	1.8
233.05919	1.8
233.09470	1.3
234.06824	3.2
235.07481	4.0
236.08208	1.7
237.09160	7.3
238.06360	2.0
239.07010	1.9
239.10680	2.3
240.07806	1.7
241.08623	1.4
245.09534	1.4
247.07545	1.8
248.08368	1.8
249.08980	7.3
250.06166	2.4
251.07030	2.4
251.10738	2.9
252.07820	1.7
253.08496	5.0
255.06409	2.2
255.10040	1.4
261.08997	1.6
262.06281	2.4
263.07059	2.0
263.10550	2.4
264.07944	1.2
265.08633	10.2
266.09335	1.7
267.10126	3.6
269.08044	1.4
270.08844	2.9
271.09573	2.0
277.08569	8.9
277.11755	1.7
279.10187	4.2
281.08081	4.0
283.09702	5.4
285.11206	8.0
287.12820	1.6
291.10214	3.2
295.09564	3.5
296.10416	2.9
296.86264	1.2
297.11252	18.1
299.12778	4.2
300.44177	1.3
305.11798	2.7
308.10645	2.0
309.11313	6.4
311.12799	18.8
313.10870	1.4
317.14001	2.1
323.12930	7.2
325.14386	1.6
329.13925	2.3
337.14407	14.4
343.15521	1.9
349.14340	3.2
355.15555	13.8
367.15454	7.8
435.17627	1.5
461.19400	2.1
468.15854	1.6
479.20609	2.7
491.21091	1.8
509.21280	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	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01854	1.8
55.05513	17.3
57.03437	2.2
57.07079	52.8
59.04998	4.3
65.03941	1.5
67.05506	62.2
68.66043	1.5
69.07068	23.8
71.04982	3.9
71.08636	38.5
71.50768	2.1
71.82813	1.4
79.05067	2.8
79.05492	30.2
81.03407	2.4
81.07057	74.3
83.04974	3.4
83.08624	26.3
85.06535	2.4
85.10192	17.1
91.05483	17.7
93.07045	36.1
95.04971	5.4
95.08613	42.3
97.06540	7.5
97.10180	7.0
105.07031	6.1
107.08595	26.2
109.10157	14.3
111.08091	4.5
111.11728	2.3
117.07027	6.7
119.08563	3.7
121.10139	10.1
123.11701	9.9
131.08563	6.0
133.10132	9.6
135.11690	8.2
137.13293	3.3
147.11652	1.7
149.13258	18.6
159.11728	9.1
177.12755	6.7
195.13774	14.1
201.18303	1.5
239.23672	9.2
507.40503	100.0
508.40439	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	508.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
53.69403	0.2
59.25968	0.2
63.09381	0.1
65.03928	0.4
67.05495	0.4
69.38451	0.5
69.38864	0.8
69.88995	0.2
70.06580	0.5
72.08163	0.2
76.59850	0.2
78.03460	0.3
81.03382	0.2
84.08147	0.3
85.02885	0.5
85.05488	0.2
86.09697	0.4
91.05456	0.3
92.05012	1.5
93.05801	0.2
94.06567	3.2
95.04973	2.2
96.04482	0.3
103.83305	0.2
105.06996	0.3
110.06039	1.6
120.08089	0.3
122.06048	0.3
122.07178	0.2
136.07564	0.2
137.05983	0.3
138.05502	100.0
139.05830	0.8
165.65805	0.2
174.60670	0.2
257.10413	0.2
338.13962	0.2
399.37180	0.2
508.25455	41.8
509.17377	0.8
509.25729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01891	0.5
55.05515	4.1
57.03423	0.7
57.07079	5.9
59.04990	0.4
59.70114	0.3
62.25669	0.3
63.11411	0.3
65.03944	0.7
66.28258	0.2
67.05506	16.9
69.03481	0.4
69.07069	3.7
70.85090	0.8
71.04993	0.6
71.08632	3.7
79.05027	0.4
79.05493	6.1
81.03410	1.3
81.07057	14.4
82.03756	0.4
83.04993	0.8
83.08620	4.1
85.06552	0.5
85.10193	2.1
87.04490	0.3
89.06024	0.3
91.05485	5.0
93.07044	7.5
95.04964	1.3
95.08607	8.3
97.06538	0.8
97.10176	2.6
105.07019	1.9
107.04921	0.3
107.08604	4.2
109.10159	7.8
111.08086	0.7
111.11723	0.3
111.39754	0.3
116.86391	0.3
116.95674	0.3
117.07025	1.4
119.08571	2.6
121.10148	2.9
123.11701	1.5
125.09646	0.9
129.07011	0.4
131.08574	2.4
133.10143	3.2
135.08096	0.4
135.11679	1.9
137.13290	0.7
141.27737	0.3
143.08563	0.4
145.10121	0.7
147.11703	0.8
149.09680	0.5
149.13280	3.0
151.11139	0.3
155.10788	0.5
159.11734	1.3
161.13271	0.5
163.14804	0.3
173.11777	1.3
173.13219	0.7
177.12770	0.7
179.17897	0.3
189.11269	0.7
193.12257	0.4
195.13831	0.9
213.14943	0.3
227.12741	0.7
229.14348	3.4
239.23752	1.0
261.22180	2.8
305.95679	0.4
317.24680	0.5
335.25916	2.2
359.18286	0.3
387.38876	0.3
397.31088	0.9
415.32016	0.7
433.33542	0.4
471.35223	0.3
489.35855	3.6
507.27225	100.0
507.39548	12.4
508.27426	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	507.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.01867	14.1
55.05513	61.9
67.05501	74.6
69.03417	9.6
69.07066	40.3
70.06608	8.2
71.49346	11.1
72.29612	6.9
79.05493	64.2
81.07059	100.0
83.04974	12.6
83.08618	27.9
85.02905	12.9
85.06514	18.1
86.09694	11.6
91.05469	52.7
93.07029	58.2
95.04958	22.7
95.08609	95.7
97.02900	13.8
97.10146	28.9
100.11261	6.8
105.07042	36.5
107.04961	15.0
107.08589	39.1
109.06532	17.5
109.10156	41.8
111.08098	8.4
117.07005	14.0
119.08543	22.4
121.06487	8.9
121.10146	22.7
123.04402	16.0
123.11707	20.9
125.09621	23.1
125.34634	6.5
129.07031	16.5
131.08536	17.3
133.06523	7.8
133.10153	28.8
135.04492	7.9
135.08102	10.4
135.11707	28.5
137.06010	8.1
137.13187	7.9
143.08556	15.1
145.10094	21.6
147.04378	9.1
147.08034	11.2
147.11711	13.1
149.13245	17.2
151.02075	12.4
151.03934	9.5
155.08546	8.3
161.05991	7.3
163.11160	21.9
163.14812	9.7
177.09221	9.3
217.76697	7.4
227.12834	38.7
263.10889	19.8
273.25610	7.1
274.01178	7.8
300.49423	8.2
309.27811	20.4
415.19327	18.4
433.20248	12.4
435.29077	10.9
489.23700	11.5
501.88947	8.7
507.24310	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	507.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01864	7.6
55.05508	19.6
57.03430	10.9
57.07076	3.5
61.02958	2.1
65.03918	2.4
67.05502	52.1
69.03437	3.4
69.07066	9.7
70.06590	5.0
71.04984	6.1
73.02905	2.2
73.06551	2.5
79.05495	65.9
81.03423	8.8
81.07053	60.3
83.04991	14.7
83.08608	17.9
85.06565	4.3
91.05482	52.8
93.07040	76.9
95.04970	19.8
95.08606	54.9
97.02898	8.2
97.06534	7.3
98.20800	5.7
99.04443	4.6
103.05487	2.5
103.59539	2.3
104.47321	2.2
105.07033	39.5
106.07360	2.4
107.04935	12.0
107.08585	37.4
107.09228	3.8
109.06513	5.8
109.10143	9.0
111.04417	2.5
111.08089	3.9
115.05444	2.8
117.07017	15.8
119.08585	25.1
121.06479	12.1
121.10116	22.6
123.04414	3.4
123.08060	6.5
123.11732	2.8
124.33653	2.4
125.09673	2.8
125.53728	2.5
128.06186	3.6
129.07007	12.0
130.07735	3.0
131.08582	8.1
133.06497	2.5
133.10130	10.5
135.08060	3.9
135.11685	48.4
139.07562	2.5
143.08571	9.4
145.10124	36.7
147.04361	2.9
147.08049	4.6
147.11699	21.8
147.27119	2.4
149.09636	2.7
151.03917	4.9
157.10114	4.9
161.09619	4.8
161.13280	6.6
163.11179	55.1
171.11678	20.4
181.12257	13.0
189.12746	10.2
197.13376	2.4
202.87653	2.3
207.13751	19.0
217.08675	2.8
227.12770	100.0
281.17459	80.6
283.15366	28.2
337.17853	3.9
344.01581	2.7
347.54990	2.3
355.19028	4.9
489.21838	4.0
489.28473	50.4
507.33508	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	507.281
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
55.01859	5.5
55.05525	5.7
57.03416	4.2
61.02937	3.6
69.03426	13.7
69.07066	9.5
69.96688	2.6
70.06592	12.8
70.78072	6.8
71.04976	3.8
72.08164	16.8
73.02924	8.1
79.05502	7.9
81.03416	3.3
81.07054	12.5
83.08615	4.8
84.04514	5.4
84.08131	7.9
85.02896	22.1
85.06552	4.3
86.09711	26.5
87.10036	3.6
91.05490	3.5
92.10319	2.8
92.83546	2.6
93.07050	14.0
94.77259	2.8
95.08611	22.9
97.02891	17.2
97.10181	8.0
99.08092	16.2
103.05417	2.9
105.07047	4.2
107.08601	22.5
115.03946	5.6
119.08627	3.3
120.08149	4.2
121.06487	2.8
121.10148	34.6
123.04407	5.1
127.03943	8.5
129.10239	3.4
133.04961	7.4
133.10120	4.5
135.11707	9.1
137.13284	3.2
138.05487	3.6
139.03900	3.8
145.04990	6.1
147.04657	3.5
151.03911	5.7
175.14803	4.8
177.16397	100.0
195.17435	21.8
195.49831	2.9
213.18484	38.6
219.10199	2.7
239.98567	2.8
241.07031	4.1
249.09544	3.7
280.12878	3.8
283.06036	3.0
355.11713	6.0
489.15488	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	507.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	3.0
53.03921	3.0
55.01864	5.4
55.05508	16.9
57.03409	2.5
57.16362	0.6
59.04972	1.4
65.03913	1.5
65.91064	0.6
67.05504	20.3
69.03397	2.6
69.07066	7.1
70.16828	1.7
70.17220	1.1
71.01338	0.9
71.05014	3.3
73.02906	1.4
79.05492	29.3
81.03416	3.9
81.07054	24.6
83.04988	4.2
83.08167	0.7
83.08614	10.9
85.06525	0.8
91.04915	1.1
91.05481	23.9
93.07045	42.3
95.04980	7.6
95.08605	33.2
97.02894	5.7
97.06535	4.4
97.10128	2.5
99.00826	9.4
99.04459	3.8
103.05466	2.3
103.61852	0.6
104.11089	0.5
105.04504	1.2
105.07025	17.4
107.04955	9.1
107.08596	27.0
109.02892	6.3
109.06504	4.1
109.10161	5.0
111.04424	2.2
111.08066	3.0
113.05952	1.0
115.03944	1.5
115.05466	1.0
117.07008	10.1
119.04905	0.9
119.07809	1.2
119.08582	12.3
121.06507	9.9
121.09323	1.0
121.10142	11.2
123.04427	1.4
123.11693	1.3
125.05946	2.3
125.09618	0.9
127.03911	1.5
128.06201	1.2
129.06998	1.2
130.07755	1.9
131.08540	2.8
133.06471	1.7
133.10124	21.2
135.08032	2.9
135.11690	39.4
137.05977	1.8
137.09595	0.7
139.07507	2.0
139.11176	0.6
143.08572	4.1
145.06459	1.6
145.10127	22.3
151.11174	4.9
153.12764	1.0
155.08472	0.8
161.09612	9.7
163.11180	49.9
164.11395	0.7
169.35217	0.6
171.08029	2.4
173.09610	0.9
179.10667	5.0
181.12233	14.7
189.09125	5.0
193.05042	0.7
193.12206	0.8
197.11728	1.9
198.35541	0.7
207.10204	2.1
209.11792	2.9
225.11185	7.2
227.12778	100.0
228.13147	1.3
243.12254	1.0
263.11017	0.8
281.13867	3.5
415.19427	0.8
489.23071	1.0
507.25861	39.7
508.26135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89293	0.6
61.02921	0.9
69.03414	1.2
69.62323	2.3
69.62737	1.8
70.06594	1.5
72.08144	1.0
73.92674	0.6
78.34399	0.7
85.02912	4.2
86.09701	1.3
87.04469	4.2
89.06030	100.0
91.07609	0.7
91.59742	0.6
97.02880	1.2
98.97582	0.8
103.86339	0.7
105.34126	0.6
107.07073	1.0
117.34646	0.8
130.06612	0.7
130.08690	0.8
131.07048	0.8
133.08603	66.8
138.05502	1.2
144.08086	2.2
147.04373	1.3
149.96039	0.7
151.09578	0.8
177.05440	0.7
177.11237	19.3
221.13802	4.6
239.14992	3.6
246.89360	0.6
283.17587	4.0
309.19174	0.8
327.20123	69.0
506.26859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01862	2.9
55.05268	1.4
55.05511	14.9
57.03426	2.8
57.07075	47.7
58.49329	0.9
65.03942	1.6
65.29185	1.0
65.29543	0.6
67.05504	29.3
69.03426	1.7
69.07066	14.6
71.04997	2.1
71.08634	31.9
79.05492	16.1
81.03419	98.7
81.07056	31.2
81.07536	1.5
83.04977	3.6
83.08617	32.7
85.06555	1.2
85.10178	18.9
91.05480	22.2
93.07042	12.7
95.04967	25.1
95.08611	32.0
97.02895	2.8
97.06547	1.9
97.10181	9.1
98.21601	1.5
99.08102	1.6
99.11732	1.5
105.07035	14.6
107.04964	6.5
107.08584	4.9
109.06519	2.8
109.10157	15.5
111.04418	1.0
111.08077	8.0
111.11729	2.9
115.05473	1.3
117.06233	0.7
117.07027	2.3
119.08566	11.5
121.06501	2.8
121.10134	6.7
123.04445	1.6
123.08137	0.8
123.11687	6.0
125.09635	1.5
125.13267	1.8
128.06276	1.2
129.07005	10.9
131.05264	0.8
131.08569	9.0
133.06491	3.3
133.10150	4.8
135.11681	0.9
137.09628	2.3
137.13269	3.0
142.07799	3.3
145.10146	2.1
147.08070	3.4
147.11676	8.2
149.09668	5.6
151.07530	1.1
151.14870	1.1
155.88837	0.9
157.10114	8.2
159.11641	1.0
165.09123	3.7
165.12758	2.1
175.11205	9.4
193.12242	57.6
196.45157	0.9
205.12263	0.9
217.66731	0.9
221.22794	1.3
227.13043	0.8
239.23662	10.1
249.14915	6.5
255.78275	0.9
276.88580	0.8
313.27328	1.2
419.27948	0.8
505.38943	100.0
506.39120	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	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64821	0.7
53.02562	0.8
53.03947	5.2
55.01863	3.1
55.05512	11.6
57.03429	2.3
57.07076	49.0
59.87650	0.8
65.03898	0.9
67.05508	29.2
69.03424	1.2
69.07069	11.3
69.50997	5.5
71.04981	1.4
71.08637	29.2
74.24237	0.8
79.05495	14.1
81.03419	89.5
81.06593	1.7
81.07055	30.6
83.04970	3.4
83.08621	30.9
85.02913	1.3
85.06557	0.9
85.10184	16.8
89.06016	1.3
91.05476	19.8
93.07036	7.4
95.04971	24.0
95.08610	30.3
97.02878	1.7
97.10191	7.7
99.11718	1.2
101.70015	0.7
105.07037	12.6
106.68351	0.8
107.04964	6.6
107.08608	3.8
109.06538	1.7
109.10163	13.2
111.04464	1.4
111.08083	9.1
111.11713	2.1
115.05488	1.2
117.07021	1.3
119.04958	1.2
119.08580	10.3
121.06496	3.0
121.10140	5.7
123.04437	1.2
123.07974	0.9
123.11724	6.2
125.09610	1.3
125.13268	1.9
128.06215	0.9
129.07001	10.3
131.08588	8.1
133.06453	2.7
133.10136	4.6
137.09590	1.2
137.13249	3.2
142.07756	2.4
145.10092	1.2
147.08023	2.7
147.11711	7.3
149.09631	3.6
151.14963	1.0
157.10143	7.6
165.12737	2.2
165.16376	1.0
175.11198	8.4
193.12244	58.0
193.26979	0.9
221.22688	1.4
239.23698	9.2
249.14876	8.0
505.38904	100.0
506.39297	1.5
525.82178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29287	1.7
53.03946	9.7
55.01873	8.3
55.05511	91.5
57.03416	6.2
57.06835	2.4
57.07076	30.5
58.03364	1.4
59.04983	2.2
65.03940	2.9
67.05506	100.0
69.03423	9.5
69.07069	30.5
69.41040	1.7
70.05531	1.7
70.32317	2.5
70.32658	5.5
71.04970	3.9
71.08619	14.8
73.67846	1.9
77.68961	1.5
79.05495	84.0
81.03417	35.7
81.07056	99.0
83.04975	9.9
83.08617	61.0
85.06537	4.1
85.10165	7.5
91.05479	48.5
93.07047	67.1
93.07639	3.3
95.04994	12.2
95.08605	61.2
97.06519	4.7
97.10169	91.5
98.20843	2.0
99.08053	2.4
105.04523	2.1
105.07028	31.4
107.04917	3.3
107.08592	63.1
109.06508	3.3
109.09487	2.2
109.10166	30.9
111.08073	9.6
117.07027	15.5
119.08571	26.2
121.10143	36.3
123.08112	2.0
123.11694	11.6
124.61654	1.7
125.09632	82.3
129.06976	8.7
131.08572	24.9
133.06477	1.7
133.10127	23.0
135.08054	9.0
135.10844	2.0
135.11702	21.4
137.13281	4.1
143.10628	3.2
145.10124	14.5
147.08069	2.0
147.11691	13.0
149.09596	6.5
149.13263	15.4
151.07539	2.2
153.09087	4.9
155.79391	1.6
157.10088	6.5
159.11728	10.9
161.13229	8.6
163.14816	6.1
171.10155	11.2
171.11577	3.2
173.13246	8.6
175.11171	7.5
175.14861	3.8
187.14799	6.4
189.11212	71.6
189.16325	2.3
193.12219	20.1
216.19225	1.7
227.12778	86.4
239.23563	3.0
243.21205	8.5
245.13884	5.7
249.14851	3.1
259.20566	3.7
261.22110	45.8
313.27209	4.2
317.24747	8.7
344.45193	1.7
353.17349	2.1
395.29675	3.8
413.30353	6.9
431.31461	6.2
487.34140	17.0
505.35294	99.4
506.35400	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	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03947	5.1
55.01865	2.0
55.05266	1.1
55.05514	14.1
57.03448	0.9
57.07077	44.1
65.03941	1.7
65.50155	0.8
67.05507	27.8
69.03431	1.5
69.07072	13.4
70.80186	0.7
71.04993	1.3
71.08636	30.1
77.03913	0.8
78.15060	0.7
79.05493	15.5
81.03419	92.6
81.07058	33.0
83.04977	3.5
83.08620	32.4
85.02893	0.9
85.06564	1.2
85.10185	19.0
85.82600	0.7
89.06062	1.2
89.53976	0.8
91.05485	22.3
93.07047	10.1
95.04971	25.1
95.08607	31.8
97.02895	2.3
97.06529	1.0
97.10170	10.2
98.21523	2.9
99.11736	1.8
105.07037	14.9
107.04962	5.8
107.08612	3.8
109.06516	2.8
109.10161	15.3
111.04449	1.3
111.08092	7.1
111.11737	1.4
115.05474	1.5
117.07037	2.1
117.73761	0.7
119.04956	1.5
119.08588	12.8
121.06532	2.3
121.10142	5.8
123.04442	2.5
123.08101	1.7
123.11700	6.1
124.63100	0.7
125.09660	1.5
125.13255	1.0
128.06247	1.1
129.07007	9.8
129.46117	0.7
131.08557	10.9
133.06516	3.2
133.10078	3.7
137.09688	1.8
137.13257	3.0
142.07794	2.4
143.08549	0.9
145.10118	1.0
147.08046	2.5
147.11707	7.3
149.09616	4.2
151.11176	0.8
151.14732	1.7
157.10132	11.4
157.11322	1.0
165.12785	1.7
175.11189	9.2
183.91527	0.7
189.11226	1.0
193.12251	62.6
203.14354	0.7
221.22672	1.0
227.12880	2.5
231.13847	1.6
239.23708	9.8
249.14905	7.0
261.22134	1.3
286.92526	0.8
313.27347	1.4
403.98923	0.8
505.38943	100.0
506.39355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81951	1.8
53.03947	3.2
55.05515	17.0
55.71673	2.0
57.03439	9.7
57.07080	5.0
57.79808	2.0
59.04998	4.6
65.03942	4.6
67.05508	100.0
68.88417	2.3
69.07066	10.6
71.04982	3.9
71.08633	3.7
71.49226	3.6
71.49586	2.5
76.02212	2.0
79.05497	27.1
80.33485	2.1
81.03398	5.1
81.07059	36.8
83.05003	2.5
83.08627	10.4
85.06559	5.6
85.10194	2.8
86.09725	2.4
91.05484	37.2
93.07047	31.7
95.04969	3.1
95.08603	24.3
97.10177	2.8
105.07027	38.4
107.08591	19.8
109.10161	68.4
111.08080	5.2
117.07027	7.7
119.08585	35.6
121.10152	14.7
123.11697	2.8
125.09630	2.9
126.96462	2.4
129.07031	5.3
129.81488	2.3
131.08592	12.2
133.10155	25.2
135.11702	12.4
137.09618	4.7
143.08572	7.1
145.10138	12.7
147.11673	21.0
149.09688	3.0
149.13249	7.5
152.15807	1.9
155.10725	5.0
157.10173	5.1
159.11681	11.3
161.09615	2.1
161.13240	17.0
161.77908	2.0
163.14920	2.4
169.10179	2.7
171.11673	8.2
173.11755	22.6
173.13268	6.3
175.14828	9.0
185.13248	6.6
189.16428	2.5
193.12228	2.4
199.14877	4.5
213.16264	2.6
221.15559	3.0
227.12823	7.0
229.14368	54.3
231.21103	4.9
241.19521	22.2
259.20575	46.4
285.70547	2.1
315.23019	3.8
329.78772	2.2
333.24326	28.4
386.60132	2.1
487.34445	9.8
505.34900	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	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01878	10.3
55.05511	98.2
55.79343	1.6
57.03423	5.3
57.07075	36.1
57.43261	1.4
59.04992	2.2
65.03935	5.7
67.05505	93.6
69.03420	8.1
69.07066	34.2
71.04990	3.4
71.08632	21.9
77.03963	1.9
79.05492	80.3
81.03419	56.5
81.07055	100.0
83.04995	8.6
83.08617	61.9
83.09122	2.6
83.09700	1.9
85.06544	5.8
85.10170	12.7
91.05482	49.5
93.07040	73.8
95.04974	18.4
95.08605	68.4
97.06493	3.7
97.10164	99.8
105.04502	2.4
105.07032	25.7
105.17928	1.6
107.04942	3.1
107.07877	3.5
107.08593	56.0
109.06512	4.0
109.10155	30.6
111.08086	9.6
115.05447	2.8
117.07018	14.0
119.08588	27.9
121.10155	28.2
123.04403	2.0
123.08073	3.8
123.11753	8.6
124.69440	1.5
125.09629	72.6
129.06967	8.5
131.08545	19.1
133.10155	14.9
135.08084	7.9
135.11705	24.1
137.09610	1.8
137.13234	3.7
143.10680	3.5
145.10161	11.4
147.08058	1.9
147.11708	14.8
149.09612	4.2
149.13264	14.5
149.63084	1.5
153.09085	5.8
157.10115	5.0
159.11708	8.2
161.13243	8.1
163.14842	5.3
165.12727	2.0
165.58289	1.8
171.10178	10.1
171.11610	2.8
173.13248	10.5
175.11183	8.1
175.14786	2.7
177.16393	2.1
187.14795	4.9
189.11215	65.9
193.12238	32.2
195.00319	18.6
227.12781	57.9
239.23645	6.4
243.21208	7.9
245.13841	7.2
249.14883	5.4
261.22128	39.7
311.25601	2.6
317.24680	8.5
333.24039	2.6
395.29865	2.3
413.30609	3.4
431.31479	3.0
487.34238	13.1
505.35443	91.4
506.35245	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	505.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	47.7
57.03429	15.3
61.02909	12.9
67.05502	81.7
69.03426	21.6
69.07077	47.8
70.06604	17.9
72.08173	12.6
73.02914	34.5
78.55563	10.6
79.05478	31.1
81.03403	31.8
81.07053	98.3
83.04998	17.3
83.08595	34.8
85.02894	42.8
85.06568	12.8
86.09708	16.6
91.05472	61.2
93.07060	57.7
95.04961	31.9
95.08622	100.0
97.02888	20.5
97.06506	13.3
97.10168	24.0
97.10828	10.5
99.00845	9.8
105.07027	62.2
107.04915	22.8
107.08602	27.9
109.02892	36.4
109.06529	21.7
109.10159	49.7
111.08089	16.8
117.07025	15.4
119.04856	9.9
119.08585	37.2
121.10122	50.7
123.04457	20.8
123.11677	31.3
127.03896	16.9
131.08553	24.4
133.10135	46.4
135.08025	17.1
135.11659	27.0
137.05998	20.8
137.09579	15.4
145.10117	17.6
145.47417	11.0
147.11703	15.8
149.09668	12.8
161.09624	17.1
161.13205	18.0
161.14505	10.1
171.07994	11.7
175.14842	29.5
189.09097	15.9
193.12221	11.5
225.11162	27.7
295.25943	10.0
307.26117	24.8
325.27444	15.0
433.29303	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	505.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.2
55.01863	8.2
55.05518	28.0
57.03431	10.5
61.02905	7.4
65.03929	5.0
66.86935	4.0
67.00863	4.4
67.05507	79.4
69.03449	4.8
69.07059	17.9
69.53152	31.9
71.05003	5.9
72.08139	7.8
73.06535	4.1
73.21748	4.6
75.07298	4.2
77.56799	4.6
79.05498	93.7
81.03406	13.5
81.07053	65.3
83.04967	21.1
83.08610	17.2
85.02895	11.9
88.32754	4.3
91.05476	77.1
91.87915	4.0
93.07041	100.0
95.04961	26.0
95.08614	52.4
97.02896	6.7
97.06537	11.3
97.10167	5.4
102.39354	4.7
104.27686	4.6
105.04517	5.5
105.07043	60.8
107.04939	13.2
107.08587	25.6
109.06509	12.3
109.10135	19.3
111.08038	4.4
114.10287	20.2
117.06997	15.2
119.08591	42.0
121.10143	12.0
123.08112	6.8
129.07019	27.6
131.08565	9.7
133.10121	20.6
135.11659	8.4
137.09645	7.1
143.08531	11.2
145.10197	21.9
147.11705	45.7
157.10176	5.5
159.11612	5.5
161.09578	11.0
161.13269	13.8
163.11110	12.1
171.11685	47.6
189.12723	20.8
207.13794	53.4
260.76404	5.1
281.17517	68.3
487.30508	60.5
505.27786	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	505.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.9
53.03941	11.9
55.01870	5.1
55.05511	26.8
57.03433	8.6
65.03937	3.3
67.05506	71.1
69.07072	16.7
69.37691	15.7
71.04976	2.1
73.06538	2.1
75.87461	1.9
77.03939	2.7
79.05499	100.0
81.03407	11.2
81.06594	3.4
81.07056	56.8
83.04976	18.2
83.08614	7.0
85.06552	6.4
91.04905	4.1
91.05483	80.6
93.07045	98.2
95.04965	27.4
95.08613	38.4
97.02929	2.1
97.06528	7.6
97.10152	5.5
98.20770	4.1
105.04527	4.4
105.07033	53.2
105.07703	4.2
107.04962	8.5
107.08609	21.5
109.06520	7.6
109.10144	7.1
111.08095	2.7
115.05486	2.6
117.06995	11.1
119.08588	37.8
121.06509	4.4
121.10145	9.6
123.08077	11.2
127.07471	2.5
128.06218	5.9
129.07016	24.4
131.08568	4.4
133.10139	13.0
135.11732	3.1
135.30766	2.1
137.09604	2.8
143.08577	11.3
145.10139	16.7
147.08032	3.6
147.11694	58.2
159.11786	2.1
161.09654	5.8
161.13258	17.0
163.11221	4.0
171.11674	41.9
179.14291	4.3
189.12709	19.8
207.13799	49.6
221.03064	1.9
225.14818	5.8
281.17493	79.0
487.30569	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	505.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51474	0.3
55.05511	0.5
56.05034	7.0
57.03441	1.0
58.06600	0.8
61.01150	4.5
65.37700	0.4
67.05496	0.8
69.03437	0.6
69.07067	8.5
69.28948	2.6
69.29358	0.7
70.06596	1.3
71.02377	0.3
71.04986	0.5
74.06081	22.5
79.05505	0.7
81.03391	0.5
81.07045	1.7
81.07477	0.4
84.04494	1.3
85.02913	0.5
86.09706	100.0
87.10054	0.5
91.05474	0.7
93.07056	0.8
95.04971	0.5
95.08615	1.2
97.02904	0.4
99.77436	0.4
101.07123	0.9
104.05333	6.8
105.07043	0.8
107.08592	1.1
109.10154	1.0
110.07179	0.5
111.05592	0.4
112.11255	0.6
117.06968	0.4
119.04948	0.4
120.08099	1.0
121.06522	0.4
121.10138	0.6
121.34047	0.5
123.04452	0.7
124.11240	0.5
131.05002	0.5
132.10240	0.6
133.10135	0.4
135.11688	0.5
137.06024	1.3
139.08649	0.5
151.07491	0.4
160.04326	0.7
161.05968	0.4
163.07608	0.4
163.25046	0.4
167.06996	0.5
167.08220	1.6
169.13478	0.6
170.06374	1.2
181.05074	0.5
181.09761	0.5
187.09019	0.9
187.14410	1.9
195.07744	1.2
197.12976	0.7
199.05426	1.3
215.08525	3.4
215.14001	0.4
225.06972	0.6
227.17577	0.4
233.09564	2.1
243.08005	7.7
245.18591	4.5
260.10599	0.7
261.09058	10.6
261.11685	0.8
269.58841	0.4
299.05469	0.4
307.26425	0.5
325.07062	0.9
328.16925	5.6
346.17960	3.5
356.16391	6.1
356.21286	0.5
374.17413	2.3
450.98013	0.4
487.25729	0.7
505.18002	0.5
505.25290	1.1
505.32501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.265
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05508	6.5
57.03452	4.7
57.07075	3.6
59.05008	18.7
60.61739	3.7
65.03925	3.6
67.05498	17.2
69.03438	14.7
69.07062	13.4
69.56709	19.9
70.06597	27.6
71.04967	3.7
72.08147	9.9
73.02921	4.6
79.05482	8.8
81.03413	3.8
81.07063	24.9
83.04955	9.4
83.08624	6.8
84.04504	5.7
84.08141	16.9
85.02885	12.9
85.06533	5.2
86.09707	25.0
87.04446	5.2
89.06030	42.9
90.06358	9.6
91.05483	8.9
93.07044	15.1
95.04989	4.4
95.08610	35.9
97.02887	5.6
98.21545	2.9
99.08106	7.3
101.98904	3.2
103.05434	3.7
103.07590	4.5
105.07025	11.8
107.04979	6.6
107.08597	24.4
109.06517	8.1
109.10157	80.9
109.10849	6.1
111.08070	4.1
115.03883	3.6
116.07082	3.5
117.06986	4.2
119.08593	48.5
120.08115	14.0
121.10155	15.4
123.04430	12.8
123.08076	15.0
123.11736	5.8
127.03927	4.2
127.04941	3.6
129.10262	6.2
130.05017	3.3
130.06476	4.2
133.07721	4.3
133.08601	25.0
133.10168	26.3
134.08942	9.0
135.11696	78.8
136.07591	8.0
137.05997	11.8
137.09630	8.7
147.04443	6.3
149.13258	7.2
151.11191	8.5
151.14812	11.6
165.01959	3.9
167.07082	23.2
173.06116	5.3
175.14832	51.0
177.11234	8.7
181.05023	9.1
193.15892	65.5
197.12852	5.0
211.16934	100.0
222.14082	3.8
233.08073	5.9
311.05792	3.5
371.23074	5.4
372.23151	9.3
505.17517	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	505.2648
Annotation	Leeaoside
Peak:m/z	Relative Intensity
57.03429	7.2
58.09962	6.0
67.05501	21.0
69.03426	10.2
69.07058	17.8
69.55589	36.5
70.06587	41.1
71.04993	8.9
72.08149	16.8
73.02901	8.4
79.05482	8.9
81.07055	23.5
83.08617	7.3
84.04501	14.2
84.08145	6.6
85.02890	18.0
86.09715	35.0
91.05470	15.8
93.07073	13.9
95.04964	8.8
95.08595	39.3
97.02911	11.1
98.21519	6.5
103.05460	6.3
105.07010	13.7
107.08584	16.0
109.06541	6.5
109.10171	66.7
111.08064	7.3
119.04992	5.7
119.08592	29.0
120.08111	19.8
121.10140	12.5
123.04376	9.4
123.08081	10.5
133.10155	30.0
135.04385	6.9
135.11681	60.8
136.03825	6.6
136.07559	14.2
137.05975	23.8
137.09567	13.2
145.10008	6.7
147.04405	7.7
151.14798	7.8
158.85130	5.9
159.09137	7.6
175.14856	42.6
183.70555	6.2
193.15895	61.9
211.16945	100.0
268.78497	5.6
423.34586	7.3
456.46756	7.4
505.16986	6.3
509.36804	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	505.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05496	2.1
57.03432	2.6
57.07084	1.4
61.02924	2.2
67.05483	1.7
69.03439	6.9
69.07059	3.0
70.06592	2.7
70.29124	3.6
73.02924	8.2
79.05483	2.3
81.03405	1.3
81.07051	9.0
84.04514	1.2
85.02901	12.2
86.09704	1.8
87.04421	1.9
91.05462	4.7
93.07040	4.3
95.08598	11.1
96.12298	1.1
97.02901	8.7
99.08087	1.6
105.07044	10.0
107.08589	7.0
109.02882	2.8
109.10146	2.5
114.99553	1.2
115.03930	5.2
119.08588	40.9
120.07980	1.3
121.77120	1.2
123.08060	1.2
127.03904	4.7
131.08572	1.5
133.04955	4.6
133.10135	43.2
135.11707	11.9
145.04964	4.3
147.11646	1.9
151.02017	1.2
175.14828	100.0
176.15176	1.5
185.30269	1.1
193.15898	10.3
211.16919	7.1
277.84509	1.2
442.30084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05508	2.0
57.03420	7.4
57.46562	1.8
61.02917	2.7
67.05498	3.2
69.03420	9.2
69.07065	4.4
70.06590	12.8
70.28984	3.9
70.29380	4.1
71.05000	2.7
72.08142	5.8
73.02916	10.2
79.05478	3.7
81.03384	1.8
81.07059	12.1
83.04971	1.8
84.04503	4.4
84.08122	5.2
85.02912	17.1
85.06538	1.8
86.09701	7.7
91.05470	7.4
93.07036	7.5
95.08614	14.2
97.02893	10.4
97.60097	1.5
98.21478	2.2
99.08078	4.8
105.07018	14.3
107.08620	9.4
109.02860	1.7
109.10184	3.4
115.03932	7.3
119.04815	1.9
119.08586	46.5
120.08082	2.8
121.10175	2.3
123.04427	2.4
123.11679	3.8
127.03926	4.2
129.10298	2.6
130.05011	2.3
131.08543	1.8
133.04976	2.1
133.10132	50.1
135.11710	9.9
136.07652	2.0
137.05963	3.0
138.05531	1.8
145.04915	2.2
147.04416	1.8
147.11652	5.4
175.14822	100.0
179.10629	1.9
193.15906	11.2
209.15443	1.9
211.16928	10.9
282.99695	1.8
283.06253	2.1
307.22379	3.7
344.96579	1.8
473.31006	2.3
481.81805	2.1
505.33575	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	505.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78812	2.1
65.03938	6.1
67.05495	5.1
69.03423	6.8
70.06589	3.7
71.48766	2.3
77.66008	2.1
79.05492	7.2
83.04988	17.3
84.04506	6.6
85.02919	4.1
86.06067	6.4
86.09708	4.7
89.86285	2.0
93.03426	7.6
95.04967	19.4
102.05550	2.7
107.04960	24.6
109.93478	2.3
111.04453	34.2
120.08165	2.6
121.02830	4.2
123.04436	5.5
129.05498	16.7
129.10184	2.3
135.04420	100.0
137.06020	5.4
139.03912	31.6
147.04362	3.3
147.06555	5.3
149.98392	2.1
152.07056	4.3
153.05469	36.5
157.04990	23.3
163.03946	13.5
175.06082	9.2
181.04958	18.5
181.06348	2.7
181.08846	2.2
224.50818	2.3
245.07985	4.0
252.64093	2.7
273.07510	3.4
281.10162	3.9
291.08554	4.3
319.08002	2.9
327.10974	2.8
337.09186	14.0
393.32059	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	504.302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.0
57.03430	5.6
59.05002	100.0
69.03420	3.3
69.30122	7.8
70.06599	11.8
71.84776	0.9
72.08148	2.7
79.24949	0.9
81.03405	1.0
84.04503	2.6
84.08145	4.2
85.02915	4.8
86.09689	5.7
87.04501	1.2
88.44753	0.9
89.06030	30.7
93.22141	0.9
97.02875	2.7
99.08099	1.3
100.56260	1.1
103.03954	1.3
103.07576	2.6
107.07084	1.8
110.07184	2.1
116.07075	1.9
117.09133	28.9
120.08095	2.2
127.03916	2.0
129.10245	1.6
129.81168	1.0
133.08604	16.4
137.06012	1.3
139.61856	0.9
145.04956	1.6
151.08424	1.3
151.09666	26.3
151.10921	1.8
160.43860	0.9
162.05452	1.0
165.05473	1.5
175.13298	12.7
191.12810	5.0
196.13336	1.3
209.13815	18.7
219.98253	1.2
267.18057	7.0
325.22205	38.4
325.26080	2.0
376.50348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01860	2.1
55.05505	1.9
59.04988	2.7
65.03947	1.2
67.05488	2.3
69.07040	0.8
69.53046	4.4
70.06582	2.9
73.02916	1.5
77.03887	1.1
79.05503	1.4
81.03404	4.8
81.07053	2.5
83.08633	0.8
84.08131	0.9
85.02886	0.8
86.09693	3.2
87.04449	1.5
89.06021	2.6
90.01913	4.6
91.05473	5.8
93.03396	3.7
93.07030	1.7
95.01328	2.2
95.04950	2.3
95.08598	2.2
97.02895	0.9
98.21224	2.9
99.00947	0.6
99.33353	0.7
103.05460	2.2
105.03434	2.0
105.04517	1.2
105.07024	2.6
107.04938	2.1
107.08588	1.7
109.02894	2.1
109.10188	1.4
110.66646	0.7
112.08751	0.9
115.05433	0.8
117.03365	0.8
117.06997	1.1
119.04936	7.9
119.08584	2.4
120.08083	1.4
121.02860	8.9
121.06419	0.8
121.10124	1.7
123.04430	56.6
123.11724	1.0
125.09663	0.8
127.03917	1.3
129.10236	0.9
131.04922	6.7
133.08586	1.5
133.10147	1.6
135.04404	2.4
137.02345	66.1
137.03398	3.9
137.05949	3.6
139.00212	1.1
143.04860	0.7
145.10091	0.8
147.04414	21.7
149.02336	0.9
159.04413	12.3
161.02339	1.3
161.05919	1.7
161.09550	1.0
163.00304	1.2
163.03893	4.7
165.05458	5.5
167.61029	0.7
169.06396	0.9
169.93408	0.8
171.04416	1.5
173.02325	2.1
173.05977	1.8
175.03917	1.1
177.05467	1.2
178.07071	1.0
181.06502	2.1
181.10036	0.9
183.04375	1.1
187.03931	15.1
187.07530	1.0
189.05449	1.8
191.03386	1.8
199.03909	1.7
201.05402	2.2
203.03323	2.5
205.04880	1.5
209.05980	1.9
211.07495	0.8
213.05511	1.1
215.03375	23.5
217.01341	1.2
217.04939	7.6
221.05951	1.2
227.03267	1.1
227.06989	1.3
229.04904	3.1
237.05479	4.4
239.03467	2.0
239.07066	1.1
241.04895	1.1
243.02887	100.0
244.03215	2.4
249.05461	1.3
255.02876	1.6
255.06535	1.7
257.04446	3.5
265.04996	7.5
266.05624	0.8
269.04349	0.8
273.03986	1.0
279.06430	1.2
281.04474	0.8
283.06006	1.6
285.03922	4.6
293.04471	6.1
295.05975	1.5
299.05585	4.0
307.06006	1.2
311.05511	17.7
323.05536	10.4
335.05493	2.8
341.06540	5.3
351.08771	1.5
353.06558	40.6
365.06570	37.6
369.05829	2.2
369.09720	2.1
372.18689	1.3
377.06223	1.8
383.07758	1.1
395.07587	32.8
396.07874	1.0
445.09201	3.3
452.67166	0.9
463.10175	12.2
487.10233	5.9
505.11356	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	504.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.05042	1.0
57.78338	0.8
59.05001	12.1
59.15527	0.8
59.38536	0.8
61.01115	0.7
61.75804	0.7
66.49813	0.7
69.03463	1.1
69.07069	0.9
70.06599	7.6
71.49330	1.0
72.08145	1.5
73.02914	2.4
73.06557	1.7
73.34735	0.7
81.03382	0.9
81.07041	1.7
84.04507	5.6
84.08141	1.6
85.02901	1.2
86.09709	5.6
87.03935	1.3
87.04474	28.9
89.06036	72.0
95.08582	0.7
102.05586	0.9
103.03947	100.0
103.07570	6.7
104.05322	1.2
107.07068	0.8
109.06512	1.8
114.05511	1.4
116.07098	2.9
117.05510	5.4
117.09151	1.0
119.07033	1.7
120.08134	1.4
121.08534	1.2
122.97759	0.7
124.11153	0.7
129.06648	0.9
129.10208	0.8
130.05045	2.4
131.07057	9.1
133.08609	42.6
133.10168	2.3
134.10516	1.2
135.08057	1.0
142.04974	1.6
147.06520	11.4
147.10188	1.8
163.09653	2.8
175.09659	6.7
177.11232	16.6
177.12715	1.2
181.40411	0.9
184.09686	1.8
191.09116	7.0
192.14690	1.2
207.12338	5.0
219.12338	1.9
221.13805	4.1
228.48129	0.9
235.11775	6.1
239.14951	1.2
242.15082	1.1
259.11142	3.3
260.16064	1.0
265.16550	0.7
269.15967	0.8
279.14487	1.7
323.17078	1.1
327.20209	1.0
383.22781	1.9
411.22162	1.4
429.23367	12.0
430.23917	1.0
458.29819	0.7
459.88419	0.8
487.27365	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	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03947	3.7
55.01866	1.1
55.05512	17.9
56.27414	0.5
57.03428	1.8
57.07079	4.4
59.05000	1.4
65.03944	3.4
66.04739	0.7
67.05505	64.5
67.67937	0.5
69.03416	1.5
69.07066	13.5
69.62801	2.3
69.63222	0.8
71.04993	8.1
71.08640	1.5
73.04720	0.6
73.06559	0.6
77.03933	1.0
79.05492	37.0
81.02973	0.9
81.03418	6.5
81.07054	100.0
83.04980	2.4
83.08614	10.6
85.06540	10.3
85.10215	0.6
90.09920	0.5
91.05479	27.2
93.07043	32.4
95.04979	4.6
95.08607	20.6
97.06518	2.1
97.10171	4.2
98.20840	0.6
99.08090	1.1
102.45729	0.5
105.04510	1.6
105.07028	15.8
107.08591	16.9
109.06530	1.2
109.10158	11.7
111.08078	1.5
111.11705	1.0
117.07027	4.4
119.08566	9.3
121.10146	15.5
121.62917	0.6
123.08059	0.8
123.11712	11.9
125.09641	1.2
129.07040	1.2
131.08559	8.3
133.10133	14.3
135.11676	8.0
135.12584	0.8
143.08626	1.5
145.10141	4.8
147.11694	4.5
149.13239	3.6
151.11176	5.5
153.12724	1.0
157.10162	2.2
159.11693	3.5
161.13264	3.1
163.14886	1.3
169.12280	2.2
171.11720	1.2
173.13261	3.1
175.11223	1.0
175.14825	1.3
177.16530	0.6
183.11685	0.6
185.13339	1.0
187.13293	8.3
187.14807	1.2
193.12268	3.0
197.13300	0.5
201.16443	0.8
227.16492	1.0
243.21075	1.0
261.22107	3.2
285.22141	0.6
311.27344	0.6
317.24817	0.9
393.31543	0.9
411.32578	1.8
429.33673	1.0
445.22397	0.5
485.36081	3.0
503.37344	71.0
504.37964	2.5
512.08502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03721	0.9
53.03941	4.9
55.05516	24.1
57.03434	3.2
57.07074	6.0
59.04985	1.3
64.66274	0.8
65.03938	3.0
67.05509	70.4
69.03445	1.2
69.07069	16.9
71.05000	8.2
71.08646	1.6
79.05498	36.5
80.05834	0.9
81.03429	14.0
81.07061	100.0
82.07413	1.1
83.04993	2.8
83.08630	13.4
85.06549	11.9
89.06039	3.3
91.05485	25.5
93.07050	34.2
93.20461	1.0
95.04965	6.3
95.08618	25.4
96.61349	0.9
97.06535	1.8
97.10166	6.0
99.04488	0.9
99.08084	1.6
104.23721	0.8
105.04566	1.7
105.07041	19.0
107.04986	1.4
107.08592	18.1
109.06517	1.8
109.10168	11.9
111.08096	2.6
111.11684	1.7
117.07032	3.6
118.45684	1.0
119.06145	1.1
119.08592	13.2
121.06549	0.9
121.10162	14.1
123.08067	1.6
123.11713	11.6
124.27583	0.9
125.09644	1.7
129.07039	2.9
129.84373	1.0
131.08569	10.0
133.08624	2.0
133.10141	16.8
135.07951	1.0
135.11705	8.7
143.08664	1.0
145.10133	5.3
147.11693	6.3
149.09610	1.5
149.13303	3.4
151.11157	4.9
153.12769	0.9
157.10194	2.7
159.11728	3.5
161.13312	2.8
163.14778	1.1
169.12286	2.3
171.11691	2.3
171.97591	0.9
173.13293	2.4
175.11191	2.2
175.14867	1.5
185.13229	2.2
187.13318	9.4
187.14896	2.3
193.12299	4.4
197.13368	1.0
211.14861	1.1
249.15005	1.4
259.20837	1.0
261.22186	3.7
263.91751	1.0
281.31927	1.0
393.31644	1.2
411.32599	2.3
429.34119	1.6
442.63977	1.1
461.70163	0.9
485.36221	2.6
503.37366	77.1
504.37720	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	503.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.7
59.05001	1.1
67.05497	0.5
69.03438	0.8
70.06599	2.7
70.82616	1.0
70.82958	0.7
72.08166	1.0
73.02902	0.6
73.06558	1.1
84.04504	0.9
84.08140	1.2
85.02922	0.7
86.09711	2.9
87.04470	8.5
89.06032	100.0
90.06371	0.7
91.07597	1.1
93.07076	0.6
105.07019	0.6
105.70374	0.5
107.07068	1.4
116.07082	0.6
117.09154	1.2
120.08087	0.6
130.08676	0.7
131.07053	1.9
133.08607	48.7
133.10222	1.2
133.83975	0.5
134.08958	0.9
136.07652	0.7
173.13248	0.8
175.09697	1.5
177.11209	12.3
177.12698	0.7
191.14400	0.6
221.13921	1.0
313.07294	0.5
441.96219	0.6
483.76639	0.6
503.21490	0.8
513.20288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01871	2.6
55.05507	3.3
57.03436	2.7
60.04491	1.5
60.97170	1.6
61.02922	2.6
61.40511	1.5
67.05501	4.4
69.03442	8.1
69.07072	3.2
69.22012	13.5
70.06593	10.6
70.75095	1.4
71.04979	2.2
72.08147	6.1
73.02917	12.1
73.04753	1.5
73.06517	1.4
74.06059	1.6
79.05486	5.2
81.03413	3.6
81.07058	5.7
83.04998	1.8
84.04525	1.9
84.08128	2.5
85.02902	14.9
85.06544	5.2
86.09715	18.4
86.40269	1.3
87.04465	6.6
89.06036	32.2
89.80167	1.6
91.05447	8.9
93.07040	8.6
95.04957	2.2
95.08607	4.6
97.02890	12.4
97.06520	4.6
98.21484	3.1
99.04462	3.1
105.07051	20.0
107.08603	6.7
108.73596	1.5
109.02888	2.9
109.06520	10.6
109.10156	2.0
115.03926	3.6
117.07078	2.1
119.08575	9.9
120.08128	3.4
121.06417	1.4
121.10192	3.9
127.03939	4.7
129.06898	1.6
130.06572	1.4
131.08583	22.6
132.94930	1.6
133.04993	3.7
133.06465	1.5
133.08647	15.6
133.10136	100.0
135.08022	6.1
135.11673	2.6
136.03952	2.9
137.06047	3.6
141.06898	1.6
143.08588	4.8
145.10127	7.9
147.08083	1.5
147.11699	11.8
149.09665	2.7
149.13284	4.1
157.10196	2.0
158.10919	4.8
163.14833	5.2
171.11639	2.5
173.13278	49.8
175.11150	1.7
177.11241	2.6
189.12686	3.1
191.14326	44.4
191.16083	2.3
209.15367	8.3
215.14206	2.7
233.15338	3.0
257.15421	1.8
287.16284	1.7
299.06314	1.6
305.17520	4.2
323.18378	3.0
495.94452	1.7
503.19138	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	503.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45015	2.3
67.05490	3.5
69.03409	3.6
69.07056	3.6
70.06585	8.2
73.02277	1.9
79.05495	2.5
81.03435	2.4
81.07045	6.3
82.54752	2.1
84.08145	12.0
85.02879	2.9
86.09703	4.8
89.06012	3.5
89.93712	2.2
91.05486	3.3
93.07083	3.0
95.04964	2.0
97.02890	2.7
107.08546	2.6
109.02839	3.2
109.10150	2.5
114.41667	2.6
119.04934	4.5
119.08568	2.3
123.04436	20.5
123.07999	2.4
130.08626	14.4
133.10114	3.3
137.05994	3.4
137.56093	2.0
147.04408	11.0
150.81047	2.5
151.03911	90.1
163.03894	2.8
165.05467	8.7
177.05457	6.3
219.10170	100.0
303.08569	3.2
371.14902	10.5
390.57623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.2
58.72137	0.4
60.45856	0.4
65.07401	0.4
69.07069	2.5
70.06590	100.0
70.74644	1.0
70.74992	0.6
72.04516	0.9
72.08157	0.9
84.04501	0.5
84.08131	1.1
86.09702	37.2
100.03996	0.6
102.05537	0.7
104.05328	2.4
105.01123	0.5
116.45451	0.4
127.08617	0.7
129.10201	0.7
133.03194	2.5
141.09048	0.4
141.10222	47.4
150.05836	9.4
157.13374	6.9
169.09720	65.9
173.09126	0.7
185.12865	9.2
196.30081	0.4
221.09528	5.1
240.13376	1.9
254.18626	2.1
256.16519	1.1
282.18118	23.7
322.97073	0.5
325.22339	4.1
334.17868	3.6
353.21790	11.9
405.21683	0.7
424.91940	0.5
502.26953	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	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
55.05492	1.0
57.03193	0.6
57.03440	6.7
59.04990	1.5
61.02923	6.1
64.85384	0.5
67.05499	1.2
69.03432	14.2
69.07063	0.9
70.06589	2.0
71.01345	1.9
71.04979	1.1
72.08137	0.9
73.02918	31.0
81.03439	2.7
81.07058	1.3
83.05006	0.6
84.08134	1.3
85.02905	33.0
86.09718	4.1
87.04456	2.1
89.05991	0.8
91.03968	1.2
91.05475	1.9
92.43027	0.5
93.07027	0.9
95.04955	0.5
95.08591	0.8
97.02893	26.5
99.04433	1.5
103.03951	1.1
105.07030	2.7
109.02887	4.2
109.10167	0.6
111.04506	0.5
115.03928	11.7
120.08114	0.5
125.09659	0.5
127.03919	11.8
129.06963	1.1
131.08569	37.8
133.04964	13.6
133.06511	0.8
137.05977	0.8
143.08531	0.8
144.09338	0.6
145.04961	15.8
145.10158	2.4
146.10460	0.5
150.07628	2.1
156.09427	0.9
158.10951	0.7
160.07590	1.5
162.07690	0.7
163.06017	5.9
171.11647	2.8
173.13263	100.0
174.13582	1.7
185.13234	1.0
193.04945	1.3
193.92043	0.5
197.15936	0.5
202.08571	1.7
217.07059	1.1
219.11317	1.1
223.05951	3.6
224.56673	0.6
241.07057	4.2
251.07440	0.6
259.08112	4.7
277.09152	1.2
284.48938	0.5
287.16302	1.5
295.10321	1.9
305.17438	1.6
317.17422	0.9
353.19553	0.7
358.13516	0.6
402.54056	0.5
485.21436	0.8
502.26831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57991	1.7
53.03936	3.6
55.01863	4.2
55.05510	76.9
57.03440	33.9
57.07078	57.7
59.05000	2.2
65.03937	2.0
67.05140	3.1
67.05505	78.2
69.07069	91.2
69.20345	19.1
71.04987	5.6
71.08636	41.0
75.04475	8.0
79.05494	34.5
81.07056	94.9
83.04966	5.9
83.08623	71.5
85.06527	6.9
85.10184	25.6
86.64626	1.8
87.04461	1.8
89.06045	2.0
91.05486	6.9
93.07046	44.5
95.04947	2.5
95.08609	100.0
96.86342	1.9
97.06532	18.9
97.10170	46.0
99.08066	3.4
101.05975	2.8
105.07062	4.0
107.08590	32.7
109.10157	53.4
111.08105	10.3
111.11736	15.7
113.06051	3.2
115.07579	2.2
116.68817	1.7
119.08608	3.9
121.10147	42.4
123.11681	18.6
125.09628	13.7
125.13289	5.5
129.09131	3.9
131.07036	5.0
131.08595	3.4
133.08598	2.3
133.10150	3.0
135.11685	38.2
137.13255	8.6
139.11143	10.3
143.10643	3.0
145.10173	2.2
147.11610	2.8
149.13251	20.0
151.14775	3.9
152.01527	2.0
153.12727	8.8
157.12241	3.3
161.13306	1.9
163.14821	11.4
165.16290	2.1
167.14290	5.0
171.13858	2.2
177.16393	5.6
181.15855	4.7
185.15327	2.6
191.17961	3.2
193.19574	1.8
195.17404	5.3
199.16963	2.3
209.19037	4.5
213.18492	2.0
223.20537	4.8
235.20651	2.4
251.23790	2.5
289.28891	11.4
307.30023	18.5
317.28348	19.8
335.29480	44.2
353.30746	4.2
371.31558	94.4
409.33133	57.3
427.34204	68.0
483.36804	16.4
483.54062	1.8
501.37842	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	501.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
53.92033	1.2
55.01871	5.6
55.05511	58.1
57.03438	36.6
57.07077	61.9
59.05007	3.0
59.30649	1.3
59.70475	1.2
65.03944	2.4
67.05506	71.4
69.07069	83.3
71.04992	4.2
71.08634	40.8
73.06552	3.1
75.04476	11.5
79.05071	1.0
79.05495	30.9
81.07056	99.6
83.04980	5.5
83.08618	66.3
83.09128	2.2
85.02901	1.8
85.06541	4.6
85.10188	23.2
87.08064	1.4
91.05476	9.7
93.07043	41.4
95.08606	84.7
97.06537	18.8
97.10168	43.8
99.08086	3.4
99.11765	2.6
100.57379	1.3
101.06019	3.1
105.07039	4.9
107.08598	31.1
109.10155	45.4
111.08087	13.0
111.11706	14.0
113.06013	4.0
113.09648	2.0
115.07578	4.0
119.08602	2.7
121.10144	44.8
123.11716	20.0
125.09625	11.0
125.13268	3.9
129.09125	4.0
131.07065	10.5
131.08591	1.5
133.10138	2.7
135.11693	33.0
137.13235	9.5
139.11166	9.0
143.10719	3.8
147.11722	2.2
149.13251	14.5
151.14877	3.4
153.12737	9.2
157.12277	3.7
161.13220	1.9
163.14835	11.6
165.12761	1.8
165.16423	1.6
167.14293	7.5
171.13835	3.2
177.16406	6.7
181.15906	4.0
185.15367	3.9
186.13544	1.5
191.05432	1.2
191.17957	5.1
191.73891	1.4
195.17462	5.5
199.16954	3.3
203.18004	1.7
205.19469	3.3
209.19069	5.2
213.18578	2.5
219.21135	2.0
221.19078	1.9
223.20654	4.7
227.20036	2.7
233.22679	1.7
235.20671	2.6
237.22163	3.0
241.21890	1.6
247.24173	2.8
251.23788	2.5
255.23199	2.0
289.28824	13.1
299.27490	3.0
307.29950	19.8
317.28363	17.8
325.31079	1.5
335.29425	43.5
353.30661	5.2
371.31558	100.0
372.31931	3.0
407.69839	1.6
409.33157	54.3
410.33615	2.1
427.34232	67.7
428.34500	2.3
483.36844	25.4
501.37881	51.9
502.37936	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	501.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44579	1.3
53.00311	13.1
53.03938	4.1
55.01862	2.5
55.05499	4.9
60.60989	1.5
65.03932	13.6
67.05503	36.0
69.03427	35.1
69.80666	5.6
70.06596	3.8
71.01343	5.3
81.03411	1.8
83.04489	2.9
83.04978	46.4
84.04492	1.8
84.08144	2.7
85.02894	13.0
86.09695	1.9
87.00849	3.2
91.05473	3.1
93.03404	21.5
95.04966	29.9
98.06028	1.9
98.20835	2.1
99.00812	83.3
105.04512	2.1
107.04959	17.6
110.06097	1.6
110.07167	1.4
111.04443	74.7
116.90495	1.4
117.01875	12.1
117.03355	1.8
119.04892	3.4
121.02870	8.7
123.04441	14.9
125.07092	1.7
127.03877	1.6
128.98645	1.2
129.05475	30.0
131.04906	2.3
135.04443	3.0
136.07578	3.7
139.03900	19.9
145.06497	5.0
147.04416	8.7
147.06496	3.9
149.09615	1.5
157.04974	6.2
161.05971	2.4
163.03902	10.0
165.07034	1.5
172.07564	2.3
173.06009	2.2
188.07109	1.6
190.08665	1.8
207.08081	11.2
209.04475	11.6
211.07535	2.9
221.05974	1.8
223.07730	1.6
225.08945	1.3
227.05496	36.8
228.07777	2.4
229.08644	1.6
235.07504	13.1
238.58075	1.6
239.06981	9.4
241.08563	2.2
245.06581	6.8
253.08635	13.6
261.09009	1.5
263.07068	19.6
264.07858	1.5
273.06055	100.0
279.09821	3.6
281.08109	21.2
283.09753	1.9
299.09174	2.0
309.07437	13.5
311.09012	2.1
321.21964	1.8
327.08514	9.6
339.11865	12.8
339.22806	14.1
501.14478	2.5
501.28046	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	501.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01857	1.8
55.05490	1.2
56.05008	1.4
61.02929	1.3
67.05496	2.7
69.03427	4.2
70.06599	3.7
71.48730	1.2
73.02933	1.2
85.02903	4.4
87.04467	1.4
95.04985	1.0
97.02933	1.4
98.06062	10.3
99.00818	1.4
105.03423	1.0
105.07030	2.3
107.05003	1.0
107.08595	1.8
108.53252	1.0
109.10170	1.1
110.06032	1.3
111.04439	1.8
115.08708	2.9
116.07079	1.7
117.03364	1.7
118.06543	6.0
119.08615	4.6
121.10162	2.0
122.09661	2.8
125.07088	2.6
127.03933	1.4
132.08116	2.2
135.04410	2.5
136.07541	1.0
143.08195	1.6
144.08060	4.7
145.02826	1.9
146.06013	21.4
147.04378	1.5
147.08081	2.9
147.10687	1.1
147.11630	5.1
149.09633	3.3
159.09190	1.4
161.13347	1.5
163.03911	10.4
164.04300	1.1
164.10747	3.1
170.06024	2.3
171.66388	1.0
188.07085	36.2
189.12610	2.0
205.09760	13.1
206.15395	2.9
207.13797	3.0
224.16475	3.9
237.00708	1.4
263.51080	1.0
265.62851	0.8
273.06012	1.3
303.20688	3.4
321.21692	9.5
339.22720	8.5
386.21780	1.8
467.21527	1.1
483.26990	3.8
501.28076	100.0
502.28387	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	500.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05506	2.8
57.07070	2.1
58.06602	27.8
60.04525	6.9
60.65759	0.6
67.05510	7.7
69.07070	11.4
69.55767	3.5
70.06592	0.7
71.04989	0.6
71.08617	0.5
72.08153	1.9
79.05489	2.2
81.07059	10.7
83.04990	1.3
83.08624	2.6
85.06538	1.4
85.10225	0.6
91.05452	2.5
93.07053	4.9
95.08611	14.4
95.10619	0.5
97.06544	0.8
97.10139	1.0
98.20764	0.9
99.08117	0.7
100.07620	7.8
105.07021	4.5
105.65469	0.5
107.07888	0.8
107.08592	10.5
109.10159	25.2
111.08069	1.7
111.11729	1.4
117.07062	0.7
119.08591	8.3
121.10149	8.8
123.08064	1.2
123.11726	6.9
123.76722	0.5
126.12770	1.0
128.73526	0.5
131.08562	1.6
133.10136	6.2
135.08055	0.6
135.11685	6.5
137.09613	0.8
137.13252	4.6
142.07706	0.5
143.08626	0.6
145.10149	3.5
147.11708	5.0
149.13289	3.8
151.11166	1.2
151.14832	0.9
157.10255	0.6
159.11760	3.2
161.13255	8.9
163.11148	1.0
163.14755	2.8
165.12755	1.2
171.11726	0.6
173.13188	2.6
175.14856	2.4
177.12756	0.6
177.16417	1.5
179.14299	1.8
185.13303	1.2
187.14856	3.3
189.16438	1.7
191.14285	1.4
191.17973	1.2
199.14813	0.7
201.16429	1.6
203.17947	1.9
205.15895	3.3
213.16460	0.9
215.17894	3.4
217.19525	0.8
219.17529	0.8
227.17989	0.8
229.19539	1.0
231.20984	0.6
233.19095	0.8
245.18924	0.7
255.21056	1.1
273.22122	0.7
283.26349	0.5
325.29068	0.7
341.28336	1.3
343.29935	0.7
367.29987	1.0
423.36066	1.9
441.37280	6.7
500.40961	100.0
501.41846	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	500.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07692	0.5
51.57268	0.4
55.05511	3.6
57.03423	0.7
57.07066	2.0
58.06603	28.6
60.04228	0.6
60.04529	7.9
63.34565	0.6
65.42977	0.5
67.05503	8.8
69.07072	12.4
69.34035	0.5
70.42066	0.5
71.05022	0.6
71.08666	0.6
71.41978	1.0
72.08150	1.7
79.05505	2.6
81.07059	11.4
83.04996	1.0
83.08627	2.2
85.06553	2.0
91.05483	2.1
93.07049	6.1
95.08608	17.1
97.06534	1.1
97.10171	1.1
100.07611	7.5
105.07040	4.7
107.08599	10.7
109.10162	27.7
111.08098	2.4
111.11711	1.1
112.64859	0.6
117.07026	0.9
119.08588	8.3
121.06541	0.5
121.10149	9.6
123.08110	1.3
123.11716	7.2
126.12819	1.3
127.11215	0.7
131.08592	2.2
133.10123	6.4
135.08067	0.8
135.11700	6.1
137.09666	1.1
137.13263	5.5
145.10143	3.6
147.11690	6.4
149.09605	0.8
149.13263	3.9
151.11142	0.7
151.14900	0.9
157.10059	0.7
159.11690	4.0
161.13246	9.8
163.11192	1.1
163.14865	2.2
165.12756	1.2
171.11716	1.0
173.13313	2.0
175.14850	2.0
177.12753	0.9
177.16406	1.1
179.14366	1.5
181.13272	0.5
185.13298	0.8
187.14882	3.3
189.16443	2.1
191.14374	1.8
199.14838	0.9
201.16470	2.4
203.17984	1.7
205.15936	2.3
213.16452	1.0
213.88934	0.5
215.17964	4.1
219.17484	0.9
227.17937	0.5
229.19656	0.8
233.19096	1.5
238.31441	0.5
241.19437	0.7
245.19128	1.0
257.18982	0.7
259.20642	0.8
259.24408	0.5
271.20499	0.6
271.24173	1.0
310.59204	0.5
341.28391	1.4
343.29993	1.1
367.30060	0.8
423.36401	1.9
441.37302	7.8
442.50064	0.6
492.16351	0.5
500.41003	100.0
501.41278	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	500.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05512	3.9
57.07084	2.0
57.45443	0.4
58.06603	23.2
59.04991	0.6
60.04259	0.7
60.04531	7.3
63.75861	0.3
67.05509	5.3
67.58691	0.4
69.03402	0.4
69.07070	17.6
69.20365	0.4
69.20676	4.4
70.22468	0.4
71.08625	0.5
72.08152	1.7
79.05480	1.7
81.07059	7.8
83.04975	1.5
83.08633	1.5
84.08127	0.4
85.06537	0.6
85.10163	0.6
89.06012	0.9
91.05507	1.2
93.07043	3.1
95.08611	11.7
97.06539	1.0
97.10139	0.6
99.08105	0.7
100.07632	6.3
105.07029	4.7
107.08601	7.3
109.06523	0.6
109.10161	14.6
111.08094	1.7
111.11734	2.7
119.08585	6.7
121.10139	5.6
123.08096	1.6
123.11716	5.3
126.12836	1.2
127.11213	0.5
129.37372	0.4
131.08585	1.4
133.08606	1.0
133.10147	4.9
135.08102	0.7
135.11702	4.5
137.09639	0.8
137.13281	2.3
139.11203	0.4
145.10115	2.7
147.11682	4.6
149.09612	0.5
149.13257	2.7
151.11209	0.6
151.14885	0.8
153.12704	0.5
157.10109	0.6
159.11691	3.0
161.13255	14.2
163.11169	0.9
163.14851	1.6
165.12837	1.2
165.16374	0.5
168.13887	0.6
173.13191	2.0
175.14845	1.3
177.12764	0.9
177.16405	1.2
179.14355	1.5
185.13182	0.5
187.14815	3.0
189.16440	1.4
191.14372	1.2
191.17990	1.1
201.16452	1.5
203.17940	0.9
205.15907	1.9
210.63402	0.4
213.16362	0.7
215.17957	8.0
217.19539	0.6
219.17633	0.6
227.17894	1.0
229.19652	1.0
233.18919	3.2
257.22742	1.6
275.23737	1.0
341.28619	0.5
343.30054	1.2
372.27795	0.5
423.36319	0.6
441.37228	11.2
500.41003	100.0
501.34698	0.7
501.41238	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
53.05355	0.6
53.87133	0.6
55.05511	4.7
57.03426	1.9
57.07071	4.4
58.06604	25.6
59.05000	1.8
59.19412	0.6
60.04528	4.1
65.03918	1.0
67.05510	8.8
69.07073	10.8
71.04992	0.9
71.08628	2.7
71.49990	1.1
72.08144	1.7
73.02931	1.0
79.05495	7.9
81.07060	15.8
83.04983	8.5
83.08633	3.2
83.92370	0.5
85.10190	1.9
87.04450	1.8
89.06038	2.1
90.01913	0.7
91.05477	5.8
93.07047	11.1
95.08612	22.8
97.10161	1.6
99.08116	0.7
100.07609	7.4
103.03937	0.9
105.07032	8.3
106.07382	1.0
107.08593	13.4
108.08929	1.3
109.10159	13.9
111.11739	0.7
116.49979	0.6
117.07011	3.1
117.09115	0.6
119.08591	10.5
121.10155	12.3
123.11732	4.7
126.12845	0.6
130.21243	0.7
131.08577	6.4
133.08632	2.0
133.10141	7.2
135.11696	10.1
137.13254	4.3
143.08574	1.6
145.10133	7.5
147.11668	7.0
149.13303	4.0
157.10124	2.0
159.11696	5.9
161.13248	6.9
163.11252	0.7
163.14812	2.8
165.12851	0.7
165.18782	0.6
169.10254	0.8
171.11700	1.6
173.13286	4.0
175.14842	3.3
176.02402	0.8
177.11279	0.8
183.03929	0.6
183.11757	1.1
185.13359	1.1
187.14835	6.9
189.16476	1.9
191.17931	3.6
193.15947	0.7
197.13289	1.0
199.14908	1.0
201.16364	4.3
203.17978	2.3
213.16425	2.3
215.18037	5.0
217.19560	1.7
219.17485	1.4
222.13747	0.8
227.17905	1.0
229.19531	1.6
233.19012	1.3
235.20486	0.7
241.19653	0.8
255.21223	0.9
257.22742	0.8
261.22076	1.0
266.29791	0.7
325.28946	4.0
343.29959	1.3
405.34781	0.8
409.30826	1.2
423.36160	3.3
441.37292	8.7
500.41006	100.0
501.35187	5.5
501.41486	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	499.376
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
57.07080	0.5
71.08624	0.3
71.49929	0.2
71.50368	0.5
81.07087	0.3
87.04510	0.3
89.06059	0.4
93.07055	0.3
95.08601	0.4
105.07006	0.3
107.08618	0.3
109.10190	0.5
114.09144	0.5
149.59821	0.3
331.63419	0.3
454.03079	0.3
499.37619	100.0
500.37701	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	500.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.0
57.07066	4.4
58.06602	23.1
58.07395	0.8
59.04991	1.0
60.04528	5.6
67.05507	6.3
69.07071	17.7
69.28572	5.7
70.06575	1.2
71.08625	5.1
72.08150	2.4
72.08969	0.7
79.05484	1.7
81.07054	7.8
83.04990	1.4
83.08620	1.9
85.06551	0.8
85.10167	3.8
86.10513	1.0
87.04472	0.8
88.07634	1.8
89.06020	2.0
90.01909	2.3
91.05481	1.3
91.26678	0.5
93.07059	3.6
95.08611	11.8
97.06532	0.7
97.10159	1.0
98.21466	1.3
100.07620	7.1
102.09194	0.8
105.07042	4.9
107.08583	6.3
109.10158	14.3
111.08086	1.2
111.11734	3.1
115.65502	0.7
119.08572	6.2
121.10155	6.7
123.08007	1.1
123.11697	4.9
126.12811	1.1
131.08531	1.4
133.08620	0.7
133.10094	4.1
135.11705	4.7
137.13261	2.6
141.16461	0.8
145.10107	1.9
147.11668	4.0
149.13258	3.4
154.32529	0.7
159.11716	4.5
161.13246	16.3
163.11179	1.5
163.14763	1.4
165.12840	1.1
173.13274	2.0
175.14822	1.5
177.16347	1.1
179.14284	2.0
179.17986	0.7
187.14891	2.2
189.16313	1.2
191.14240	0.8
200.20131	1.8
201.16368	1.6
203.17964	1.3
205.15891	1.7
215.17955	8.5
229.19595	0.8
233.19020	3.2
244.22722	1.9
257.22559	1.2
275.23605	0.7
283.26321	2.7
297.25790	0.9
343.29825	1.1
365.00140	0.7
367.30228	1.4
373.00870	0.6
409.98929	0.7
441.37265	9.7
500.40897	100.0
500.46716	7.5
501.41754	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	499.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
53.37630	0.1
55.01855	0.2
57.35530	0.2
63.02370	0.6
63.83581	0.1
65.03938	0.3
67.05499	0.6
70.06575	0.2
71.48991	0.3
79.05494	1.1
83.04972	0.6
89.03918	9.4
93.03387	0.4
95.04981	2.5
105.04520	0.2
107.04955	2.8
111.04440	0.8
117.03385	10.0
123.04437	0.6
127.03882	0.3
135.04420	17.7
136.04759	0.2
139.03885	0.2
145.02850	13.3
145.03842	0.5
147.04430	0.2
150.05533	0.2
163.03905	100.0
164.04288	1.0
169.87740	0.2
169.93912	0.2
175.04016	0.2
181.04971	0.5
203.03461	0.2
205.06442	0.4
207.08191	0.2
233.06036	0.5
237.05318	0.2
251.07060	0.6
255.06467	0.2
261.05417	0.6
269.08008	0.2
279.06570	2.0
283.06064	0.7
297.07510	0.7
307.06006	1.4
319.08118	12.5
320.08508	0.3
325.07172	1.1
337.09503	0.2
499.12393	2.9
500.12909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79034	1.6
55.05515	2.5
57.03427	3.5
57.07078	93.2
58.04225	7.7
59.05002	27.0
60.04526	1.7
62.56572	1.5
67.05508	3.8
69.07056	5.1
71.04977	2.6
71.08633	100.0
72.05770	12.6
73.02914	4.4
73.06557	8.4
81.07060	3.9
82.07833	2.7
83.08614	4.7
85.10186	86.5
86.06853	1.7
86.07347	2.0
87.04474	16.9
88.05237	3.0
89.06034	22.2
90.01923	43.3
93.06990	2.0
95.08598	3.1
96.09385	2.8
97.10137	3.9
98.20728	2.8
99.11743	11.7
102.06772	1.9
103.07600	12.2
109.10170	2.1
110.29745	1.6
111.11681	2.4
116.08321	3.0
117.09134	6.2
119.07051	1.9
119.08654	1.6
133.08653	11.6
138.14017	2.7
141.16388	6.9
169.15869	7.4
175.09717	2.3
177.11313	2.3
178.07086	6.6
179.12856	2.1
185.19060	2.1
198.19771	5.8
199.20540	10.5
209.13823	3.3
222.09738	6.8
243.23236	3.5
264.91696	2.0
266.12335	3.2
284.13376	7.4
287.25769	1.9
288.16876	1.8
348.31055	7.6
499.35788	1.9
500.41028	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	498.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.1
56.05028	3.5
56.06243	1.9
57.03425	8.6
57.07072	2.0
58.12631	2.3
59.04981	2.6
59.61478	1.8
61.02917	3.2
65.06195	1.9
67.05505	33.6
69.03429	3.3
69.07063	6.8
70.06587	18.1
71.04978	8.6
71.49514	3.0
72.08157	1.9
79.05484	7.9
81.03392	4.5
81.06590	3.7
81.07054	53.9
81.36220	1.9
83.04993	3.6
83.08607	5.7
84.04549	3.0
84.08134	9.0
85.02905	7.0
85.06532	6.7
86.09698	6.4
91.05486	16.6
93.07042	22.3
95.04941	2.8
95.08597	8.9
97.02874	2.4
97.06511	4.5
98.74088	2.1
99.08076	4.4
105.07021	6.7
107.08601	9.8
109.02839	2.2
109.06507	3.2
109.10149	5.4
110.07150	2.0
111.08125	3.2
117.07011	5.5
120.08094	4.9
121.10109	5.6
123.04423	5.4
123.11727	10.5
129.10202	4.4
131.08536	7.1
133.10141	13.5
135.11653	5.4
149.13278	12.4
151.11119	4.7
159.11702	23.8
161.13281	2.6
169.10048	3.6
177.12746	35.6
179.14284	6.5
187.13292	3.0
195.13818	5.7
225.10242	3.6
239.11749	3.0
243.15958	31.7
251.16411	13.9
267.11334	2.9
269.17480	100.0
301.20145	19.1
313.11813	9.3
341.11249	3.2
373.14001	32.1
445.24063	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	497.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00088	1.4
55.01325	1.5
55.05515	2.1
57.03417	2.4
57.07078	100.0
58.04220	2.7
59.04713	2.1
59.05003	40.6
59.59520	1.4
64.03564	1.3
69.07049	2.9
70.08257	3.1
70.08646	3.5
71.08635	68.2
73.02897	1.8
73.06534	1.5
83.08666	1.8
85.10184	67.9
87.04443	2.5
87.08102	1.8
89.06023	6.3
90.01916	9.6
97.10176	3.1
98.89723	1.6
99.11729	12.0
101.09660	1.9
111.11718	1.4
113.13258	1.8
117.09147	13.1
133.08580	3.9
152.15582	1.7
155.17963	5.8
186.35387	1.5
193.18962	1.4
213.22110	6.8
225.18654	1.5
257.24701	2.5
270.01492	1.4
271.26352	5.3
284.17856	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	498.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11235	1.0
63.34705	1.3
70.06593	3.1
71.48411	1.6
71.48842	1.8
73.36337	1.2
74.84058	1.0
79.05495	1.8
90.05535	1.2
93.07044	2.4
95.04975	1.5
103.05450	6.2
107.04924	2.2
120.08112	100.0
121.06511	1.6
131.04953	2.4
137.05963	1.3
144.48021	1.4
149.05960	2.0
163.03932	3.2
166.08646	45.8
167.07047	3.0
272.55981	1.2
372.25974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97059	0.2
67.05496	0.3
69.03426	0.2
69.29955	1.2
69.30360	0.5
69.33681	0.2
70.06600	1.4
77.25176	0.2
83.04978	0.3
84.04480	0.2
84.08140	0.4
84.18293	0.2
85.02892	0.3
86.09693	0.4
91.05479	0.4
93.26423	0.2
98.21561	0.5
101.21264	0.2
110.71025	0.2
115.05462	0.6
117.06998	1.8
120.08092	0.3
123.04377	0.4
128.95320	0.2
138.05455	0.4
143.07321	1.2
144.08083	100.0
145.06517	0.3
145.08369	1.2
155.06068	0.4
161.10742	17.3
163.03889	0.5
165.07011	0.4
177.06973	0.2
193.06403	0.4
208.09703	0.3
221.05975	1.9
232.34702	0.2
239.07091	0.4
249.05461	1.9
267.06570	0.4
277.04947	0.9
295.06052	3.6
305.03625	0.3
323.05466	4.6
335.12076	0.6
420.21945	0.3
479.16296	0.3
497.10532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.5
56.78931	0.5
60.80705	0.5
67.50646	0.5
69.03440	0.7
69.07061	0.5
69.53623	3.4
70.06595	4.2
71.04999	0.5
72.08163	0.8
79.05495	0.8
81.03419	1.3
81.07057	0.7
84.04475	0.5
84.08134	1.6
85.02897	1.3
86.06037	0.5
86.09710	3.0
91.05485	1.8
93.07043	0.8
95.08624	1.0
105.07018	0.9
107.08613	1.0
109.02868	0.6
110.07167	1.4
119.08571	0.6
120.04498	0.5
120.08116	2.1
121.06451	0.6
123.04458	0.6
127.03960	0.8
129.10274	0.7
130.06511	1.4
135.08095	0.6
136.07591	3.3
137.06009	1.1
147.04442	0.6
151.03912	0.9
157.07719	0.6
158.06015	0.6
159.09152	0.8
164.07088	3.3
167.07050	6.8
173.13126	0.7
175.08781	0.7
182.08093	0.6
201.12753	0.6
227.05321	1.3
229.12285	0.9
247.13078	1.0
249.14610	4.7
277.14175	2.7
289.05313	0.7
308.37656	0.5
326.12442	0.7
335.05798	0.6
356.64108	0.5
365.12125	1.1
393.18692	0.8
411.19943	17.2
453.20990	25.0
497.19937	100.0
498.20334	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	496.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.6
55.89074	1.5
57.03439	3.2
57.07076	100.0
59.05000	62.4
67.05494	1.6
70.62893	1.9
70.63225	2.6
71.08631	99.1
83.08588	3.0
85.10182	96.6
89.06036	16.9
96.39894	1.5
99.11731	10.4
101.09649	4.1
103.07590	3.9
112.61253	1.6
117.09125	21.6
127.27966	1.4
134.31906	1.6
141.16399	10.9
147.10176	6.7
152.24184	1.3
155.10825	1.3
165.11220	1.8
175.08557	1.7
180.24405	1.4
187.14763	1.5
199.20554	22.6
199.22223	2.4
205.14378	3.9
223.15425	2.9
257.24756	28.5
281.19849	1.8
475.05902	1.9
479.39212	1.8
516.62750	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	497.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.61787	0.6
55.01859	0.8
56.05017	0.8
61.02922	0.7
65.03933	1.1
65.76974	0.6
67.05498	2.4
69.03430	3.0
69.07067	44.0
70.06573	2.1
70.94588	1.4
72.08138	0.9
79.05484	1.3
81.03406	1.9
81.07053	3.7
82.50342	0.6
84.08138	1.2
84.99179	0.6
85.02907	6.0
86.09700	1.6
91.05481	1.0
92.05009	0.7
93.05793	0.6
93.07014	0.9
94.06567	2.3
95.04970	0.8
97.02882	2.3
97.06528	8.0
97.07099	1.2
105.41262	0.7
108.04457	0.7
109.02862	1.4
111.04457	0.8
120.08080	1.1
121.06553	0.8
122.06033	6.0
123.04408	1.8
124.07564	1.3
125.06009	0.7
126.09106	0.7
127.03867	1.5
129.10129	0.7
137.05984	1.8
138.05505	3.8
140.07034	4.0
144.08134	1.0
145.08868	1.5
146.06004	0.6
146.09650	2.5
148.03925	1.8
148.37459	0.7
150.05498	54.4
153.16309	0.6
157.08844	1.8
160.07700	0.9
161.08366	2.5
162.09128	2.5
165.04228	1.0
166.04990	13.0
167.07098	1.5
168.06596	1.0
172.07581	1.1
172.11206	2.3
173.08363	1.3
174.09160	0.9
174.12790	4.3
176.03412	3.5
178.04996	1.7
185.08363	1.0
186.07623	0.7
188.10693	1.0
190.12245	5.2
191.03429	1.8
192.02936	1.3
194.04465	1.6
200.07109	0.7
200.10767	4.0
202.08611	0.8
202.12283	4.7
204.10176	0.7
207.06572	1.0
213.10242	0.9
216.10168	3.5
218.08301	0.8
218.11760	16.3
226.08606	1.6
228.10159	10.1
234.11250	1.8
243.11328	1.2
244.09732	1.8
246.11258	14.6
254.07921	0.9
255.11212	1.5
257.09174	1.3
261.09222	0.7
261.12335	0.8
262.10748	0.9
264.09683	0.6
269.09085	1.1
271.10773	4.1
272.09137	1.9
273.12332	2.4
274.10641	1.7
287.10214	5.8
289.11774	7.1
290.10178	1.1
299.10284	6.9
317.11325	29.9
318.09570	1.6
335.12360	100.0
336.12659	1.5
411.19693	1.0
453.20880	2.7
489.89560	0.8
497.19812	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.07077	100.0
59.04712	1.8
59.05002	23.5
62.26645	1.2
64.50623	1.2
67.05514	2.3
69.07072	3.6
71.08633	76.2
71.50201	1.4
71.50595	1.9
73.02928	1.6
73.78860	1.3
79.05457	1.3
81.07056	3.2
83.08620	5.2
83.42639	1.2
85.10184	68.6
85.51495	1.2
87.04475	8.6
88.13824	1.2
89.06020	11.1
92.71506	1.2
95.08624	2.2
97.10162	2.7
99.11751	10.8
101.09648	2.1
103.03945	28.5
103.07559	3.1
104.10739	2.0
107.07028	1.3
113.13296	3.2
116.21789	1.4
117.09126	5.2
119.08552	2.2
121.10143	1.6
131.08636	1.8
133.08615	5.8
133.10126	2.0
143.08665	1.4
147.06537	3.0
155.17955	9.9
157.02628	1.4
163.09660	5.8
176.05431	1.6
184.07358	1.7
191.09138	3.7
209.10197	7.6
213.22136	14.3
249.13452	3.2
264.06897	2.4
267.14496	4.5
271.26343	6.4
283.17508	3.8
459.28369	1.3
479.35446	2.1
496.34698	3.1
497.36337	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	496.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76613	1.1
53.34463	1.0
55.05505	2.1
56.86442	1.0
57.07078	100.0
59.05004	20.9
66.29810	1.0
69.07058	3.2
71.08636	77.9
73.02921	55.4
75.70687	1.0
81.07050	2.2
83.08612	2.7
85.10187	71.2
86.09758	1.2
87.04474	2.1
87.08115	2.4
89.06037	17.7
93.70578	1.0
95.08612	1.8
97.10151	2.4
99.11729	11.9
101.09679	1.6
103.07596	6.1
104.10783	1.6
113.13302	3.7
117.05509	1.4
117.09113	2.2
133.08604	16.4
141.16382	3.3
155.17944	8.0
177.11232	4.1
184.07248	1.3
185.18919	1.7
199.20570	1.6
205.10809	5.4
213.22139	7.4
221.13939	1.2
239.14896	16.4
243.23186	4.5
247.56804	1.1
249.13405	2.1
257.24741	3.9
267.14270	1.7
276.40125	1.2
283.17651	1.4
290.10419	1.3
297.19058	2.1
451.36349	2.8
496.38571	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	496.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.07077	100.0
59.04712	1.8
59.05002	23.5
62.26645	1.2
64.50623	1.2
67.05514	2.3
69.07072	3.6
71.08633	76.2
71.50201	1.4
71.50595	1.9
73.02928	1.6
73.78860	1.3
79.05457	1.3
81.07056	3.2
83.08620	5.2
83.42639	1.2
85.10184	68.6
85.51495	1.2
87.04475	8.6
88.13824	1.2
89.06020	11.1
92.71506	1.2
95.08624	2.2
97.10162	2.7
99.11751	10.8
101.09648	2.1
103.03945	28.5
103.07559	3.1
104.10739	2.0
107.07028	1.3
113.13296	3.2
116.21789	1.4
117.09126	5.2
119.08552	2.2
121.10143	1.6
131.08636	1.8
133.08615	5.8
133.10126	2.0
143.08665	1.4
147.06537	3.0
155.17955	9.9
157.02628	1.4
163.09660	5.8
176.05431	1.6
184.07358	1.7
191.09138	3.7
209.10197	7.6
213.22136	14.3
249.13452	3.2
264.06897	2.4
267.14496	4.5
271.26343	6.4
283.17508	3.8
459.28369	1.3
479.35446	2.1
496.34698	3.1
497.36337	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	496.3397
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.14111	0.2
55.05510	0.6
56.05040	1.3
57.03426	0.6
57.07080	2.9
58.06573	1.8
59.07362	0.2
60.08165	17.3
65.23717	0.2
66.18897	0.2
67.05500	0.8
68.37583	0.2
69.07066	0.7
70.06585	0.2
70.11071	0.9
71.07373	7.2
71.08627	2.2
79.04003	0.2
81.07058	0.7
83.08610	0.4
85.10184	1.3
85.63486	0.2
86.09706	52.6
95.08613	1.1
97.10178	0.2
98.98460	4.1
104.10744	100.0
105.11121	0.4
109.10164	0.5
111.88255	0.2
125.00004	30.0
137.23709	0.2
143.53806	0.2
163.01570	0.9
166.06357	0.3
181.02560	0.2
184.07341	96.2
185.07692	0.4
209.63509	0.2
223.89111	0.2
258.11047	1.3
286.08115	0.2
313.27386	1.6
471.81610	0.2
478.32968	8.4
496.33969	28.1
497.34265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05037	0.5
57.03433	0.3
57.07076	0.9
58.06625	0.5
60.08163	6.8
67.05488	0.5
69.07059	0.3
70.06588	0.2
70.10065	0.7
71.07370	2.9
71.08614	0.5
77.05099	0.2
78.70004	0.2
80.26953	0.2
81.07056	0.5
83.08638	0.3
85.10189	0.3
86.09705	29.8
93.07031	0.2
95.08595	0.3
98.98460	2.8
104.10747	3.2
109.10178	0.2
125.00003	19.7
166.02638	0.2
169.75343	0.2
184.07338	100.0
185.07649	0.5
210.30408	0.2
258.11026	0.2
313.27319	0.4
396.85733	0.2
478.26639	0.2
478.32712	1.0
481.13956	0.2
496.33817	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	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.1
55.01871	6.6
55.04107	3.4
55.05513	89.3
57.03431	17.2
57.07078	11.4
59.04999	4.4
65.03928	3.3
67.05504	79.1
69.03432	4.6
69.07066	28.9
71.04958	2.6
71.08630	9.6
71.49825	4.0
79.05491	65.6
80.98424	2.1
81.07056	100.0
81.22372	2.1
83.04995	5.9
83.08620	29.0
85.06552	4.9
85.10188	3.7
89.06034	8.1
91.05484	30.6
91.45911	2.0
93.07042	51.0
95.04990	5.0
95.08609	68.6
96.56406	2.0
97.10176	51.3
105.07040	20.6
107.08598	52.0
109.10162	36.7
117.07020	9.8
119.08568	17.7
121.10155	27.5
123.11705	19.6
125.09635	33.3
125.47719	2.0
131.08549	16.0
133.10138	17.1
135.11694	25.1
137.09625	3.0
137.13249	8.6
139.01137	2.4
143.10718	8.0
145.10139	10.6
147.11710	10.9
148.24855	2.1
149.13283	14.5
151.14825	3.7
159.11725	13.9
161.13245	8.0
163.14809	9.9
170.00661	2.2
171.11665	3.1
173.13286	11.4
175.14792	5.2
183.11824	2.9
185.13304	2.7
187.14830	7.0
199.07390	2.4
199.13321	3.7
201.16551	3.2
205.15967	2.4
215.12770	8.5
217.14346	71.1
233.22623	3.2
243.21094	13.7
261.19446	3.3
261.22150	60.3
263.23914	2.3
279.23254	3.2
299.23633	2.6
317.24747	8.9
335.25790	37.0
337.27228	8.3
353.26950	19.7
385.31055	7.7
390.73706	2.2
403.32053	21.2
437.64883	2.6
459.34540	3.7
477.35760	29.9
495.36484	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	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76292	2.0
53.03946	5.1
55.01869	6.1
55.05512	74.0
55.95818	1.8
56.50554	1.9
57.03442	12.6
57.07066	5.4
59.33089	1.9
65.03934	4.0
67.05505	87.5
69.03429	2.5
69.07065	25.2
69.55241	11.7
71.03165	2.0
71.04988	3.0
71.08640	4.7
73.74589	1.9
79.05495	68.8
80.53057	2.0
80.89684	2.1
81.07058	100.0
83.04980	6.6
83.08621	23.3
85.06542	2.6
89.06039	3.1
91.05479	28.8
93.07042	50.9
95.04949	2.7
95.08607	67.6
97.06537	3.0
97.10167	44.5
105.07038	23.2
107.08595	54.6
108.68716	1.8
109.06557	2.1
109.10159	35.8
117.06992	9.2
119.08569	18.7
119.09402	2.4
121.10144	26.4
123.11714	16.6
125.09628	41.8
125.10459	3.4
126.59540	2.5
129.07025	2.3
131.08575	17.6
133.10159	16.7
135.11693	22.8
137.09685	2.0
137.13257	7.6
143.10666	10.3
145.10138	12.4
147.11725	16.7
149.13260	15.2
157.10117	2.0
159.11719	11.6
160.70901	2.0
161.13246	11.2
163.14818	9.2
173.13281	13.8
175.14835	4.2
177.16383	4.9
179.14262	2.1
185.13229	2.0
187.14801	5.6
199.13278	4.0
201.16397	3.5
215.12749	3.8
217.14362	59.4
233.22591	4.2
235.94350	2.2
243.21138	15.1
259.20569	4.5
261.22125	70.6
262.22623	2.1
279.23157	6.5
316.63116	2.0
317.24719	8.9
335.25812	47.9
337.27237	3.6
353.26877	9.1
385.30887	9.1
403.32037	36.6
459.34863	2.5
477.35733	26.1
495.36606	12.6
499.23193	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	495.3657
Annotation	28-Homobrassinolide
Peak:m/z	Relative Intensity
51.60916	0.5
55.05510	0.8
57.07069	2.5
67.05488	2.1
69.07077	0.8
71.04886	0.6
71.08612	1.8
79.05482	0.7
81.07066	3.4
83.08582	0.8
85.10170	1.4
89.06023	1.1
93.07013	0.7
95.08625	3.9
105.07027	0.7
107.08599	1.1
109.10153	1.7
112.54219	0.5
119.08607	0.7
121.10114	0.6
133.08669	0.8
133.31398	0.6
147.11674	0.7
165.01909	0.5
203.29163	0.5
210.29245	0.6
341.30563	1.1
495.36542	100.0
496.37131	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	495.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01862	6.4
55.05280	4.8
55.05513	71.2
57.03422	13.1
57.07063	6.0
67.05504	90.2
69.03434	5.3
69.07068	27.5
71.08630	4.8
71.28667	3.9
71.49406	5.9
71.49786	5.3
79.05073	6.7
79.05491	77.6
81.06599	7.5
81.07053	100.0
83.04987	8.5
83.08617	27.0
85.06529	4.3
86.09689	5.8
91.05485	26.2
93.07047	62.4
95.04943	5.2
95.08613	79.0
97.10175	41.9
105.07021	25.9
107.08591	61.8
109.10155	40.7
117.06989	13.5
119.08580	22.4
121.10151	32.0
123.11697	15.5
125.09609	41.0
129.06995	3.8
131.08571	18.0
133.10104	16.7
135.11688	26.7
143.08603	3.9
143.10670	10.4
145.10147	10.8
147.11734	12.4
149.13254	13.7
157.10048	6.2
159.11739	17.0
161.13269	10.1
163.14822	10.5
172.20328	3.5
173.13257	10.1
175.14766	4.3
177.16350	3.6
184.07315	12.1
187.14777	5.9
197.13344	4.5
199.13173	7.0
214.31584	4.0
215.12706	6.6
217.14363	63.7
233.22505	4.8
243.21053	15.4
258.64365	4.0
261.22137	75.3
263.23639	4.9
267.15692	3.5
279.23080	6.4
291.04318	3.6
299.23706	4.4
317.24670	5.6
335.25772	45.6
337.27594	4.3
353.26770	4.3
373.58484	4.6
375.32211	4.6
385.31070	8.8
403.32184	32.9
477.35690	31.0
481.29047	3.6
495.34567	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01866	1.4
55.05514	16.7
57.03432	3.4
57.07075	1.8
59.05005	1.4
65.03932	2.6
67.05507	30.8
69.07063	16.8
70.62883	4.2
71.04989	5.4
79.05074	1.9
79.05498	24.7
80.41693	1.2
81.03387	1.4
81.04642	1.2
81.07059	100.0
82.07370	1.1
83.04998	7.5
83.08633	9.4
83.94123	1.3
85.02908	2.1
85.06525	5.7
91.05481	27.2
93.07043	16.4
93.55179	1.2
95.04975	3.0
95.08617	21.7
97.06548	5.9
99.08094	3.6
101.06046	2.0
105.07034	46.9
107.08593	13.1
109.06537	5.9
109.10155	2.6
111.08093	2.4
113.06007	2.3
117.07018	2.9
119.08587	35.8
121.06440	1.5
121.10144	25.1
123.08064	5.0
123.11710	35.7
127.07522	3.3
129.07034	1.6
131.08542	2.4
133.10164	3.2
135.11696	1.7
137.09541	1.9
137.13274	2.1
139.11180	1.5
141.09123	1.7
145.10141	1.7
147.11694	83.0
157.10173	2.1
165.12761	39.7
180.87277	1.2
183.13805	6.4
193.12219	2.6
210.15697	1.3
211.13210	2.2
219.13855	1.4
229.14307	7.8
267.15930	47.1
268.16245	1.4
285.16910	3.5
315.58630	1.4
381.21640	1.2
384.38504	1.2
410.60565	1.4
449.29318	2.0
477.28125	7.1
495.22342	2.1
495.29523	35.6
496.29861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.0
55.01858	3.9
55.05510	22.8
57.03440	11.7
57.07061	3.1
59.04975	2.3
61.02918	10.2
65.03931	2.7
67.05506	53.3
69.03434	10.8
69.07063	19.3
70.06573	2.1
71.01340	2.2
71.05000	8.1
73.02923	7.6
77.03955	1.5
79.05492	43.3
81.03416	16.0
81.07053	100.0
83.04973	10.6
83.08623	13.8
85.02518	1.4
85.02910	14.8
85.06525	6.6
87.04478	1.7
89.71283	1.6
91.03955	4.6
91.05480	45.9
93.06485	2.8
93.07040	39.4
95.04967	9.7
95.08606	31.3
95.50809	1.3
97.02878	12.0
97.06516	7.8
97.10169	4.7
97.89967	1.8
99.04449	3.5
99.08076	4.0
100.92884	1.4
101.06007	1.6
103.03942	3.2
103.05454	1.6
105.07026	58.7
105.83318	1.3
107.04916	4.3
107.08590	24.6
109.02911	2.6
109.06506	5.2
109.10162	8.3
111.04456	4.7
111.08083	3.2
115.05426	2.6
117.07010	14.8
118.80740	1.4
119.08574	45.4
121.06519	3.4
121.10143	25.0
123.04444	1.3
123.08069	8.2
123.11703	25.5
125.09595	4.1
127.03861	3.7
127.07545	6.3
128.06204	3.5
129.05501	1.9
129.07007	8.9
130.07748	2.0
131.04863	1.6
131.08563	19.6
133.06522	4.5
133.10123	18.1
135.08080	2.7
135.11667	10.4
137.09595	1.8
137.13329	1.4
138.26947	1.5
141.06950	2.5
142.07773	2.6
143.08545	10.1
145.06473	2.8
145.10110	17.5
147.08043	2.2
147.11678	56.1
149.05896	1.5
149.09586	4.0
149.13234	4.9
151.11099	2.0
155.08582	2.2
157.06540	2.2
157.10127	8.5
159.08049	2.6
159.11691	10.6
161.09627	3.6
161.13260	4.7
163.11188	2.3
163.14856	2.1
165.12744	25.2
167.08563	2.1
169.10168	2.7
171.11687	4.2
173.09685	2.3
173.13263	5.1
175.11188	4.2
175.14766	1.9
181.10086	3.2
183.11684	4.1
183.13741	4.3
185.09631	2.9
185.13271	5.7
187.11153	2.9
187.14819	1.6
189.12735	1.9
193.12241	6.1
195.11682	2.6
197.13243	3.6
199.11308	1.7
199.14722	3.0
209.11566	1.8
211.13171	7.9
213.12921	1.7
219.11980	1.6
219.13922	2.4
223.14929	1.8
227.12778	3.6
229.14368	5.4
234.82309	1.5
257.04514	1.8
259.20532	3.5
267.15906	32.2
271.20239	2.3
283.20468	1.5
285.16919	3.8
299.20117	1.5
301.21472	3.3
313.21588	1.9
325.21634	1.7
331.22708	2.6
333.24185	9.8
339.23196	2.6
349.21411	2.6
367.22562	7.3
375.25284	5.3
385.23663	4.5
403.24622	3.0
417.26193	1.6
429.26447	2.2
431.27881	2.1
441.26376	11.5
449.28622	1.7
459.27286	9.4
477.28598	14.3
495.13043	2.3
495.29611	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	495.1284
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
52.92649	0.3
53.03925	0.5
55.05484	1.0
57.03421	0.5
67.05496	2.1
69.03394	0.3
71.04961	0.4
79.05487	1.9
81.03381	1.0
81.07014	1.3
83.04956	0.5
83.08591	0.6
85.02861	0.4
91.05483	2.9
93.06998	1.4
95.04926	1.2
95.08572	0.9
98.20759	0.6
101.38606	0.3
102.04658	0.6
103.05462	3.3
105.07040	2.1
107.04913	1.1
107.08558	1.1
109.06499	0.5
111.04374	0.4
111.08031	0.4
115.44806	0.3
117.03375	0.6
117.06983	0.9
118.04153	2.3
119.04911	0.7
119.08552	0.6
121.06463	1.9
121.10116	0.6
123.04375	0.9
125.02340	0.5
130.04123	1.3
131.04036	0.4
131.04929	5.2
131.08516	0.4
132.05708	2.3
133.02820	0.5
133.06438	0.7
133.10088	0.7
134.03583	0.6
135.04395	1.1
135.11650	0.4
140.04700	2.1
146.03636	2.7
147.04364	0.7
147.11618	0.6
148.05165	1.4
149.05946	1.3
153.01819	7.4
153.05440	0.7
154.06261	0.3
155.07042	0.6
156.02327	0.3
159.04434	0.5
160.05203	0.6
161.02309	0.7
161.05922	1.4
162.03078	1.2
163.03850	0.9
163.07495	0.5
163.11308	0.4
166.06264	0.7
167.07047	2.0
168.76567	0.4
173.05963	0.8
176.04707	2.1
177.05446	2.3
178.06241	4.0
181.08624	0.5
191.07008	4.3
192.07773	1.7
193.12250	0.5
203.03407	5.7
211.13232	1.0
213.05478	0.9
216.04164	1.0
225.05437	0.4
227.12807	0.7
229.04951	7.3
241.04921	1.2
242.05727	12.8
253.04941	2.6
255.06490	0.4
257.04428	57.5
258.05191	17.3
259.05835	0.5
267.16040	0.4
269.04364	2.8
270.05215	2.6
271.06015	2.6
283.06104	0.7
285.03909	7.2
286.04703	30.7
287.05481	21.4
287.08798	0.5
295.05820	0.4
297.03946	4.8
299.05450	2.3
300.06204	1.1
301.06891	0.7
315.04874	0.4
327.04968	3.2
341.06589	2.3
359.09222	0.6
373.07211	0.9
387.08829	0.6
388.09296	0.5
416.08920	0.4
419.07626	1.1
421.09525	0.5
433.09357	0.7
444.08591	0.4
445.09232	0.9
447.07251	1.7
461.08597	0.7
462.09845	0.8
465.11853	3.2
477.11789	15.2
477.28268	0.5
478.12479	0.6
495.12833	100.0
496.13043	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	495.1284
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
53.03926	0.7
54.27777	0.3
55.05516	2.1
55.15612	0.3
55.93048	0.4
57.03418	0.7
65.03921	0.5
66.04693	0.3
67.01849	0.6
67.05499	4.3
68.99776	0.6
69.03415	0.4
69.07041	1.4
71.01340	0.4
71.04971	0.7
71.49190	0.4
79.05489	4.1
81.03421	2.8
81.07055	4.5
83.04963	1.5
83.08614	1.8
83.27586	0.3
85.02868	0.9
85.06518	0.4
91.05472	5.6
93.07045	3.8
95.04984	2.7
95.08618	2.2
97.02863	0.7
97.06509	0.7
97.10138	1.0
99.08047	0.3
102.04619	0.6
103.05460	3.5
105.07037	4.3
107.04958	1.6
107.08588	2.4
107.76402	0.3
109.02818	0.5
109.06493	0.9
109.10152	1.6
111.04415	0.7
111.08059	0.9
115.05417	0.7
117.03353	0.4
117.07001	1.5
118.04153	2.5
119.04912	0.7
119.08562	1.3
121.06525	1.6
121.10170	1.5
123.04416	0.7
123.08035	0.5
123.11634	0.5
125.09605	0.9
129.06996	0.7
130.04103	1.4
131.04927	4.5
131.08519	0.9
132.05690	1.7
133.02802	0.8
133.06482	0.7
133.10123	2.6
135.04382	1.0
135.08046	0.7
135.11685	1.3
137.05946	0.7
137.09634	0.5
140.04701	2.6
143.08585	0.4
144.39026	0.3
145.02835	0.4
145.10095	1.1
146.03606	3.4
147.04364	1.3
147.11638	1.0
148.05212	1.6
148.06227	0.3
149.05940	1.1
149.09555	0.7
149.13252	0.5
151.11182	0.8
153.01825	7.0
153.05411	0.7
153.09076	0.5
155.07101	0.7
155.08501	0.4
157.10072	0.3
159.04361	0.5
159.11668	0.5
160.05174	1.0
161.02313	0.3
161.05957	1.2
161.09534	0.5
162.03088	1.2
163.03893	0.9
163.07503	0.6
163.11180	1.1
165.05382	0.5
166.06322	0.5
167.07022	1.8
173.05966	0.4
173.13228	0.4
175.11197	0.9
176.04694	2.1
177.05470	2.5
177.12819	0.4
178.06233	4.0
180.07848	0.5
181.12259	0.6
189.11136	1.0
191.07043	4.2
192.07819	1.6
193.12212	1.5
194.74690	0.3
197.11655	0.4
203.03389	5.9
209.11610	0.4
210.08759	0.3
211.13252	1.6
213.05432	0.8
216.04253	2.2
227.12772	1.3
229.04956	6.5
241.04945	1.6
242.05731	12.3
253.04956	2.7
253.14342	0.4
257.04443	54.8
258.05234	18.0
259.05911	0.9
267.15909	0.9
269.04474	2.2
270.05249	2.0
271.05994	2.1
272.03009	0.5
283.05988	0.5
285.03925	8.4
286.04709	30.0
287.05490	25.7
295.06009	0.5
297.03937	4.9
299.05539	3.0
300.06357	1.3
301.07147	0.5
302.04233	0.4
311.05652	0.5
311.61783	0.3
313.07019	0.4
315.04913	2.6
316.05777	0.4
317.06628	0.6
323.05527	0.6
327.04846	2.7
341.06482	2.4
359.09213	0.6
367.22696	0.6
373.06653	0.6
385.23669	1.0
387.08792	0.5
391.08304	0.4
391.66397	0.3
403.08017	0.5
419.07568	1.0
421.09390	0.3
422.87817	0.4
433.09387	0.7
444.08649	0.4
447.07010	1.9
459.27341	0.4
461.08780	0.6
462.09875	0.5
465.11884	3.9
477.11804	16.4
477.28424	1.3
495.12869	100.0
496.13028	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	494.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	100.0
59.05003	35.4
63.69391	2.2
67.05508	2.9
67.55272	1.9
71.08635	63.6
73.02916	25.1
83.08575	2.1
85.10182	64.0
85.10677	4.4
87.04478	4.5
97.10177	1.9
98.21527	5.5
99.11732	11.3
101.09639	2.7
113.13280	2.7
115.36807	1.9
117.09162	15.6
144.11105	2.0
155.18024	6.3
206.13040	2.2
213.22130	13.2
271.26227	10.4
288.07840	2.7
293.17902	2.4
494.25552	3.4
494.38858	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	494.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26627	3.6
53.03954	4.3
55.05512	30.6
57.07080	38.5
58.90915	3.4
59.04979	4.9
62.20398	4.2
67.05515	62.3
69.07069	35.5
71.08638	27.0
71.49866	4.4
79.05489	26.2
80.05848	4.4
81.06595	6.6
81.07058	72.5
82.07394	6.5
83.04987	5.8
83.08618	28.4
85.10194	14.5
91.05470	15.2
93.07043	40.0
95.08607	73.6
96.08978	4.0
97.06527	9.8
97.10184	10.9
105.07040	23.3
107.08598	61.7
108.08910	4.3
109.10162	100.0
111.08110	6.5
113.09698	4.3
113.35172	4.0
119.08596	30.7
121.10148	39.4
123.11734	34.2
131.08601	4.7
131.64099	3.8
133.10092	21.7
134.10466	4.0
135.11693	49.3
136.12010	8.0
137.13203	11.4
145.10144	9.8
147.11707	12.3
149.13251	21.9
151.14787	6.3
157.10123	5.7
159.11713	12.5
161.13290	21.7
163.06471	4.0
163.14871	13.5
173.13324	5.6
175.14841	8.7
177.16429	9.5
179.14259	7.7
181.12224	8.5
187.14917	5.7
189.16434	8.5
191.17966	10.5
193.06638	4.4
203.17976	6.7
209.15431	12.4
217.19582	4.5
221.15337	5.1
222.15388	3.7
223.16962	12.1
229.19499	7.0
237.18544	5.7
245.22752	4.9
259.24246	11.6
263.19980	7.1
283.26309	87.7
289.21417	5.2
291.23267	5.0
317.24780	6.1
340.62198	4.8
359.29480	6.7
371.29422	4.3
385.31033	36.3
413.53671	4.2
423.36249	10.5
441.37302	70.4
476.54282	4.9
494.39099	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	493.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
53.98162	1.4
55.01877	2.9
55.05511	21.0
57.03434	6.0
57.07078	41.4
57.18040	1.8
59.04982	1.8
65.03943	2.2
67.05508	54.9
69.07073	21.4
71.01361	2.8
71.04992	3.5
71.08636	35.0
71.50022	2.6
71.60965	1.5
73.06563	1.6
74.03488	1.4
77.03900	1.5
79.05495	38.3
81.03419	5.8
81.07059	41.5
81.07532	2.4
83.04977	11.3
83.08620	17.5
85.06553	4.6
85.08369	1.6
85.10181	20.6
91.05476	19.1
91.53940	1.5
91.67237	1.7
93.07046	40.2
95.04961	4.4
95.08612	43.9
97.06531	9.6
97.10169	16.2
99.08116	2.1
99.11726	2.2
105.04559	4.0
105.07031	4.8
107.08597	24.2
109.06552	1.5
109.10151	22.6
111.08089	3.4
117.07018	3.1
119.08591	7.4
121.06544	2.0
121.10141	9.2
123.11722	7.2
125.13325	2.9
126.58247	1.5
133.10164	4.0
135.11696	49.9
137.13254	3.4
145.10133	7.5
147.11708	2.6
151.14844	2.1
153.12733	5.1
161.13242	1.7
163.11208	7.0
181.12283	10.1
199.13347	2.4
239.23688	11.9
342.90393	1.8
441.37045	2.8
493.38947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.5
55.01881	9.3
55.05518	9.3
57.03437	5.3
59.59986	2.0
60.04538	3.2
61.02929	6.4
61.73775	2.1
62.26190	2.0
66.57362	2.1
67.05496	18.6
68.99790	3.0
69.03432	23.4
69.07079	8.6
70.06605	8.8
71.05010	4.7
72.08138	2.7
73.02924	6.8
74.44745	2.3
77.51203	2.0
79.05499	13.3
81.03424	29.6
81.07061	30.7
81.18018	2.0
83.05001	6.3
83.08629	6.7
85.02909	59.5
85.06605	2.5
86.09709	7.7
87.00834	26.9
91.05480	13.6
93.07079	9.8
95.04961	5.9
95.08618	10.9
97.02898	43.5
97.03514	2.6
97.06528	3.6
97.10209	2.4
99.04464	13.7
105.01868	23.1
105.07030	17.3
107.04955	2.6
107.08614	9.9
108.04494	7.1
109.02891	27.7
109.06534	6.3
109.10181	3.8
112.08674	2.7
119.08578	11.6
120.08103	2.8
121.10146	16.5
123.08080	3.1
123.11716	17.0
125.09677	2.4
127.03923	46.8
127.07590	2.2
129.01875	3.0
131.08597	4.5
133.06535	2.8
133.10083	3.3
135.08168	2.2
135.11685	3.0
137.06021	2.8
143.08604	2.3
145.04962	17.2
145.10129	4.4
147.02911	2.4
147.11702	50.2
151.07536	3.1
159.02887	13.9
164.11557	2.8
165.12750	34.0
183.13826	14.9
193.08575	11.4
193.12260	9.2
204.24097	2.7
211.13393	8.4
213.03943	4.2
229.14352	100.0
231.04974	7.7
248.07716	4.6
259.45724	2.4
350.66266	2.5
458.25970	2.9
476.27106	5.9
494.28281	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	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83904	4.8
52.69799	4.1
53.03935	6.0
55.05511	45.8
57.03429	7.5
57.06824	6.6
57.07079	63.7
67.05508	45.9
69.07070	84.8
69.16357	37.1
69.16787	12.1
71.08638	50.2
72.04511	5.9
79.05496	40.1
81.07061	96.5
83.04967	13.3
83.08622	73.6
83.68916	4.5
85.06536	8.0
85.10189	30.4
91.05485	23.1
93.07047	100.0
95.08613	72.9
96.21167	4.4
97.06526	12.0
97.10179	34.2
99.08091	8.7
99.11774	4.6
105.07032	16.4
107.08591	69.7
109.06511	11.9
109.10162	52.8
111.08067	10.0
111.11736	22.9
112.43475	4.5
115.07603	10.3
117.21973	4.0
119.08595	13.9
121.06478	9.2
121.10143	44.0
123.11711	19.6
125.09586	7.7
125.13280	7.6
127.07558	22.5
133.10132	7.5
135.07990	7.5
135.11667	50.5
137.13254	9.7
139.07561	7.2
141.09100	5.5
143.07030	23.7
145.10120	10.3
147.11624	7.7
149.13240	51.2
153.09120	12.1
159.11606	10.3
163.11192	8.2
163.14801	36.6
167.10719	5.1
169.15845	4.3
175.14876	8.6
177.12733	10.5
177.16370	11.9
181.12039	5.3
187.14896	7.8
191.14377	5.1
191.18024	5.4
205.19565	5.4
212.16742	4.4
219.21082	7.9
239.23788	4.4
251.23779	6.7
289.28879	73.5
299.27344	14.2
307.29953	77.0
317.28348	45.9
349.31003	44.2
385.41119	4.9
493.28928	7.5
493.34830	17.0
493.39026	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	493.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01860	1.4
55.05269	1.7
55.05511	19.4
57.03443	10.4
57.07077	50.5
59.04993	1.2
65.03923	2.1
67.05505	59.0
69.06738	1.5
69.07074	21.6
69.14571	12.0
71.01344	3.4
71.04980	3.6
71.08633	35.6
76.68623	1.3
79.05494	39.8
79.15731	1.2
81.03419	4.5
81.06591	2.6
81.07057	44.8
83.04974	7.5
83.08624	18.9
85.06526	3.4
85.10182	21.4
91.05480	18.1
93.07047	44.5
95.04966	5.0
95.08609	37.1
97.06542	11.5
97.10167	16.0
99.08132	1.5
99.11730	1.7
105.04558	1.5
105.07037	5.3
106.46980	1.1
107.04907	1.3
107.08596	29.8
108.69282	1.1
109.06523	3.1
109.10172	20.1
109.10869	2.4
111.08089	3.4
111.11729	3.3
117.07019	4.7
119.08572	6.6
121.06525	1.5
121.10159	6.0
122.44518	1.2
123.11726	5.7
125.09644	1.7
125.13287	2.8
133.10126	3.6
134.63475	1.2
135.11694	55.2
137.09694	1.7
137.13252	3.9
145.10147	9.0
151.14815	1.5
153.12794	1.5
163.11189	6.0
165.16426	1.7
171.17818	1.2
179.17996	1.4
181.12224	10.9
199.13388	2.2
221.22699	1.5
239.23708	15.0
421.63303	1.5
493.38907	100.0
494.39365	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	493.3524
Annotation	Phlomishexaol B
Peak:m/z	Relative Intensity
50.84837	1.0
53.03938	2.7
55.01865	2.3
55.05517	19.9
57.03431	5.4
57.07076	5.8
59.05000	2.6
65.03941	2.3
67.05505	46.7
69.07069	18.2
71.04993	2.5
71.08625	3.4
71.50129	1.4
77.03901	1.1
79.05495	20.7
81.06596	2.2
81.07060	41.6
83.04999	1.9
83.08622	22.1
85.06532	1.4
87.08087	1.6
89.06014	3.5
91.05478	14.7
93.06494	2.0
93.07049	33.1
95.04952	3.1
95.08609	100.0
97.06528	5.6
97.10165	4.4
98.98466	1.9
99.08060	1.6
105.07041	13.5
107.08609	18.6
109.06492	1.5
109.10170	16.9
111.08046	6.3
117.07043	5.7
119.08582	11.0
121.06497	1.5
121.10146	11.4
123.08068	3.5
123.11733	4.2
125.09671	2.0
129.06990	1.7
131.08574	11.1
133.08601	2.7
133.10118	9.3
135.11716	9.7
137.13234	3.8
141.09070	4.0
145.10098	7.3
147.11697	7.8
149.13271	7.9
155.01013	4.4
157.08661	2.7
157.10126	2.5
158.84738	1.2
159.10158	8.0
159.11685	6.8
161.13242	5.0
163.11192	1.8
163.14842	3.1
165.12654	1.4
171.11642	1.9
173.13264	5.0
175.09625	4.0
175.14848	2.8
177.16360	1.2
185.13214	3.0
187.14815	3.8
193.75394	1.1
197.13210	1.4
199.14871	1.7
213.11250	7.4
213.16318	1.3
215.12799	28.5
217.14395	1.2
219.18277	1.3
243.21007	2.0
259.20523	2.6
261.22186	19.2
277.21640	1.7
279.23248	1.5
289.21622	1.8
317.24597	2.4
335.25735	18.1
339.28906	5.8
341.17407	2.0
365.28506	2.3
383.29492	6.4
401.30606	5.9
419.31415	5.0
457.32901	2.6
475.28650	1.7
475.34210	29.8
493.35257	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	493.2793
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.00298	5.8
53.03936	7.7
55.01854	8.8
55.05278	2.8
55.05514	34.7
56.16426	1.9
57.03423	8.4
57.07075	4.0
59.04975	3.9
65.03921	4.4
67.05505	82.8
69.03420	4.3
69.07069	25.2
70.06574	1.9
71.01345	3.6
71.04971	7.1
71.50253	2.9
73.02901	1.8
78.70184	1.7
79.05496	59.4
81.03422	19.5
81.07057	100.0
83.04966	8.2
83.08615	29.4
85.02895	3.5
85.06516	6.4
89.75863	1.9
91.05481	69.4
93.07047	76.7
93.07635	4.3
95.04978	16.1
95.08602	30.6
97.02891	7.4
97.06532	15.2
97.10139	5.4
99.00819	24.2
99.04448	3.4
99.08092	5.0
103.05468	4.9
105.04517	2.6
105.07026	42.9
107.04946	10.2
107.08600	45.6
109.02892	11.2
109.06531	10.1
109.10167	10.5
111.04431	2.4
111.08073	14.3
113.06020	2.2
115.03950	3.8
117.07027	14.3
119.08599	18.6
121.06519	15.6
121.10141	19.2
123.04424	3.9
123.08058	3.4
123.11692	6.3
125.09663	2.8
128.06230	3.0
129.07013	4.1
131.08553	13.9
133.06445	2.7
133.10127	53.1
135.08043	4.9
135.11668	14.0
137.05994	2.6
139.07460	3.3
139.11134	2.8
143.08528	8.5
145.06462	2.1
145.10112	7.5
147.07993	2.9
147.11667	5.3
149.09616	4.2
149.13257	38.0
151.11172	17.9
157.10132	2.7
159.11696	15.5
161.09615	25.5
163.11139	8.5
171.08054	7.2
175.11169	2.6
177.12717	7.5
179.10666	16.6
189.09126	15.4
193.12224	4.3
195.13803	15.4
197.11751	7.5
207.10129	8.9
211.13277	3.5
213.14868	2.5
225.11191	23.3
227.12831	6.5
243.12259	4.6
262.97604	1.8
281.13876	9.6
298.34351	2.1
335.53818	2.4
341.17715	2.9
461.28882	2.2
475.26855	6.6
493.27887	83.6
494.28552	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	493.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05494	0.9
68.99778	1.4
69.03411	0.9
69.07068	0.9
70.01775	1.5
70.02189	1.3
70.06596	3.9
72.08163	6.7
83.04984	0.8
84.04514	1.2
84.08132	2.3
85.02895	0.8
86.09707	8.3
89.71661	0.6
91.05460	1.9
98.97579	1.5
105.03403	0.7
108.52853	0.6
109.02863	1.0
110.07140	1.5
119.04939	1.3
120.08069	1.2
123.03590	1.2
123.04435	19.2
127.03949	0.7
128.98611	0.7
129.07025	0.8
129.10228	2.3
130.06529	20.5
137.05939	0.6
141.01810	1.2
143.04916	0.7
143.11848	1.2
144.08080	1.7
147.04408	5.0
151.03915	1.3
154.06500	4.0
156.08116	1.7
157.07617	15.9
158.06001	1.6
158.08334	0.9
163.03914	1.3
165.05397	0.7
167.07352	1.0
168.08066	8.2
169.07596	0.8
170.06003	2.1
170.09660	1.2
174.05490	2.8
177.05516	0.8
180.08034	3.7
182.06032	9.1
184.07608	5.2
192.08099	0.7
194.09625	1.5
196.07579	16.4
198.09212	0.7
200.07059	2.4
202.05020	3.5
203.08156	33.3
204.08246	1.6
205.08873	0.8
206.09769	1.0
208.07555	4.8
209.08368	0.6
210.05496	16.7
210.09091	1.8
212.06999	0.9
214.08646	2.2
219.01787	0.8
222.05507	0.7
222.09171	1.8
224.07056	35.1
226.08571	2.3
228.06589	1.2
232.07600	1.0
234.09169	4.6
236.07062	20.2
237.02864	0.7
237.07777	1.6
238.08607	2.4
240.06606	0.8
248.07039	0.9
249.07817	1.0
250.08652	6.3
251.05783	0.8
252.06566	46.9
253.07181	1.0
254.08104	7.1
260.07101	2.3
262.04996	1.6
262.08777	3.7
264.06546	21.1
265.07327	6.7
266.08224	4.8
268.09729	2.9
276.06549	6.6
277.09836	0.7
278.08118	49.6
279.08670	2.0
280.06088	1.7
280.09775	3.6
282.07687	2.4
289.07324	1.3
290.08020	2.0
294.07602	2.5
295.10770	15.9
296.08966	1.1
306.07700	6.0
324.08679	25.1
336.08664	2.3
341.11322	100.0
342.11636	2.4
353.11313	1.7
361.92862	0.7
398.10193	13.3
412.11749	3.9
416.11307	12.8
430.12836	6.4
431.11188	0.6
433.13998	3.8
440.11359	0.9
458.05933	0.9
458.12341	14.6
471.25784	0.7
475.15097	7.1
476.13379	16.5
493.16116	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	493.1341
Annotation	Dillenetin 7-glucoside
Peak:m/z	Relative Intensity
55.05503	0.9
57.03440	0.8
67.05493	1.8
69.03416	1.3
69.07061	1.5
70.06598	3.9
70.24809	1.3
70.25166	1.2
71.04980	0.6
72.08141	1.6
73.02901	1.0
76.02635	0.6
79.05485	2.3
81.03401	1.3
81.07049	1.7
83.04989	0.8
83.08633	0.7
84.04498	1.2
84.08138	2.4
85.02888	1.4
85.06488	0.8
86.09698	6.7
86.45706	0.7
91.05491	3.2
93.07042	1.9
94.04211	1.4
95.04965	1.2
95.08591	1.3
97.02876	0.8
97.06483	0.9
103.05457	1.7
105.07024	1.8
107.04934	1.2
107.08579	1.4
109.02847	1.0
109.06499	0.9
109.10155	1.2
110.07159	1.3
113.21079	0.6
117.06928	0.7
119.04937	1.1
119.08561	1.2
120.08076	2.1
121.06502	1.2
121.10146	1.3
122.03635	2.1
123.04424	0.9
123.19740	0.7
127.03973	0.7
129.10205	0.8
131.04938	1.8
131.08548	0.7
133.06505	1.0
133.10107	0.7
135.08170	0.7
137.05977	22.4
145.06390	0.5
147.04390	0.6
147.11732	0.9
149.05931	1.0
151.07536	5.8
151.51970	0.5
160.09676	0.6
161.06000	1.0
163.07524	3.0
165.05577	0.8
165.06915	0.8
165.09093	1.4
167.07048	0.6
167.08478	0.9
168.51732	0.6
173.06067	0.7
175.07623	1.0
189.09056	1.2
191.03377	0.7
195.07986	1.3
223.07579	0.8
225.09074	0.8
227.10710	1.8
242.05806	1.9
253.52948	0.7
255.09966	1.1
258.05405	1.5
270.05206	10.9
273.04083	1.4
285.11340	1.0
286.04703	1.2
287.05557	4.1
287.12747	3.5
301.03391	1.5
302.04135	2.8
313.03619	1.2
313.14398	0.8
315.02042	1.0
315.04962	39.6
316.05762	10.8
331.08109	100.0
332.08380	1.1
340.92459	0.6
351.15872	0.7
420.23300	0.7
462.20132	0.7
488.60107	0.7
493.26138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1346
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03917	0.2
55.05478	0.3
67.05482	0.4
68.99765	0.2
69.03395	0.4
69.07024	0.3
69.39898	1.5
70.06605	1.6
72.08103	0.7
78.78581	0.2
79.05452	0.4
79.45381	0.2
79.45831	0.2
81.03353	0.3
81.06997	0.6
81.07443	0.2
81.36974	0.2
84.08086	0.7
85.02882	0.4
86.09713	1.7
91.05431	0.6
93.07016	0.4
95.04942	0.3
95.08561	0.4
97.02862	0.3
99.04420	0.3
105.06992	0.2
107.08570	0.4
109.02814	0.4
109.06464	0.2
109.10095	0.4
119.08561	0.3
120.08091	1.2
121.10088	0.2
123.04357	0.3
123.11658	0.3
127.03913	0.2
129.84358	0.2
133.10040	0.2
135.11696	0.2
136.07520	0.3
137.05960	0.4
147.04265	0.2
149.70001	0.2
151.03864	0.4
153.01802	0.4
154.02516	0.3
162.67088	0.2
165.05342	0.3
165.09070	0.6
166.09358	0.2
168.98969	0.2
178.02580	0.5
187.14436	0.4
215.13940	0.2
219.10133	0.2
220.10590	0.3
241.04807	0.4
242.05722	1.9
255.02859	0.2
258.05222	2.3
269.04520	0.4
270.05228	8.3
271.05637	0.3
273.04050	1.2
286.04697	1.2
287.05475	3.8
299.05502	0.8
301.03415	1.9
302.04163	2.6
313.03452	1.2
313.17883	0.2
315.04974	38.0
316.05688	4.5
331.08112	100.0
332.08511	2.0
372.15338	0.4
454.98407	0.2
493.17044	0.5
493.23886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.96510	0.7
54.61139	0.7
54.91460	0.6
55.01858	2.1
55.05503	1.2
56.05032	0.6
60.04502	0.9
65.03932	2.2
67.05485	1.8
68.99776	2.7
69.03429	2.6
70.06599	6.0
71.01349	0.7
71.50501	1.2
72.08156	1.4
72.42924	0.6
79.05494	2.2
79.52170	0.7
81.03401	1.8
81.07056	1.0
83.04991	2.5
84.04486	0.7
84.08127	1.5
85.02913	1.7
86.09713	2.5
88.07057	0.8
89.03920	1.0
93.03388	1.5
93.07035	0.9
95.04970	1.9
100.02190	1.5
104.05264	0.8
107.04942	3.4
109.02895	1.0
111.04440	6.7
114.44637	0.8
117.03394	2.1
120.08116	2.1
121.02895	5.4
121.06503	0.8
125.02357	0.8
127.03917	1.2
129.10228	0.8
130.06544	1.3
131.04941	1.6
135.04420	10.2
137.02351	11.9
137.05995	1.5
139.03908	100.0
140.04228	1.0
141.01816	0.9
144.08087	4.5
145.02864	2.5
147.04311	0.9
163.03914	31.6
165.01817	1.6
165.05496	7.1
171.04478	0.7
175.08777	1.0
185.05939	0.9
187.03918	2.4
191.03398	70.0
192.03758	1.1
203.08208	1.6
213.05470	1.8
215.07030	1.7
217.04964	2.5
217.07043	3.5
219.07518	0.9
223.40817	0.7
241.04951	1.8
259.06009	12.9
259.11139	1.1
301.07086	32.4
302.07294	0.7
302.73120	0.9
303.76196	0.8
324.17572	0.8
329.06433	1.0
330.06732	1.5
331.07083	1.9
355.07269	1.6
373.08221	1.1
409.09216	0.8
475.11508	2.0
475.17969	1.2
493.18689	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	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.2
66.67690	8.0
67.05490	49.2
69.03406	9.2
69.07048	29.9
70.95143	13.5
70.95457	9.6
79.05505	48.5
81.03398	12.7
81.07057	60.8
83.04993	9.8
83.08629	10.9
91.05479	45.9
93.07031	38.5
95.04382	9.5
95.08591	36.8
105.07030	49.0
107.08611	73.3
109.10163	49.3
111.08086	11.4
119.08563	36.2
121.10131	30.6
123.11671	9.9
123.84068	8.4
125.09589	17.2
131.08588	17.6
133.10104	33.1
135.11699	28.9
137.13277	9.8
145.10124	19.7
147.11684	42.9
149.13306	13.1
157.10126	10.7
159.11699	20.3
161.13234	17.8
165.12769	35.1
173.13251	13.3
193.12212	17.6
201.16454	25.4
203.17932	27.6
249.18501	22.6
269.22748	19.6
305.24655	11.2
331.17096	9.4
369.59940	11.1
403.33585	34.6
421.34735	100.0
439.35312	26.8
457.36737	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40539	9.0
55.05509	22.3
56.05053	14.0
58.55487	13.3
60.04517	13.2
63.83175	12.4
65.82356	10.2
67.05488	21.8
69.03424	31.1
69.07066	24.6
70.06585	88.8
71.04990	10.5
71.49805	15.6
72.08145	47.9
79.05498	19.3
81.03403	27.3
81.07040	51.6
83.04950	19.8
84.04508	18.4
84.08163	69.7
85.02899	61.5
86.09710	100.0
87.00823	18.2
91.05481	22.3
93.07058	25.9
95.04961	58.7
95.08627	24.9
97.02867	26.1
97.06526	19.0
105.07032	24.9
107.08593	29.4
107.78436	11.3
109.02848	18.9
109.06531	95.2
109.10130	35.9
110.07135	21.1
119.05003	14.8
119.08588	27.6
120.08103	37.9
121.06493	14.6
121.10163	31.7
123.08062	16.3
127.03898	44.4
129.10245	42.1
131.08554	21.4
133.10146	63.6
137.05980	12.4
138.05501	32.2
139.11188	18.9
145.02774	13.3
145.04955	23.1
145.10155	12.3
147.11702	14.9
149.13251	16.6
153.09065	31.2
168.06578	18.6
173.13242	71.0
177.05452	39.3
180.98033	11.3
191.14316	86.8
209.15375	76.1
227.16330	13.9
248.55084	10.7
266.08066	15.0
273.96423	10.6
327.73093	12.1
382.66916	11.7
389.64154	12.3
416.91486	11.5
446.21640	11.8
492.32065	19.9
506.40512	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01873	9.3
55.05511	6.8
57.03439	6.9
59.05003	5.9
60.08978	3.0
67.05505	5.4
69.03427	17.7
69.07055	11.4
69.14502	37.6
69.87161	2.8
70.06591	25.4
71.04973	10.0
72.08148	24.4
74.06063	3.6
79.05509	7.1
81.03416	19.7
81.07065	20.7
83.08631	3.5
84.04501	7.7
84.08154	22.0
85.02914	44.7
85.06544	6.3
85.08511	3.6
86.09701	33.8
87.00850	19.5
87.01305	3.0
87.05607	4.2
87.09991	3.5
87.71711	3.5
91.05474	7.6
93.07063	10.6
95.04975	15.5
95.08601	9.4
97.02899	23.9
97.06539	15.2
99.04461	13.8
99.08114	3.8
103.05418	4.0
105.01864	13.6
105.07030	24.8
107.08590	20.7
109.02888	14.4
109.06525	29.8
109.10164	11.6
110.07182	5.3
111.08047	4.9
113.06038	3.2
113.49107	3.3
115.07569	9.4
119.08574	13.8
120.08114	55.5
121.06541	7.7
121.10156	16.9
123.08101	7.6
125.09597	3.6
127.03928	35.1
129.10255	11.5
131.08556	14.3
133.10146	64.6
133.11713	3.8
135.08034	5.7
135.11688	5.6
136.07591	3.5
137.05997	7.2
138.05502	14.3
140.07097	5.8
145.04997	10.4
147.11696	26.2
149.09668	4.0
149.13278	5.9
151.07549	5.7
153.09113	11.6
158.10925	4.1
159.02927	6.8
163.11209	3.6
163.14896	3.8
165.09111	7.6
165.12831	7.2
167.07358	3.6
168.06540	5.9
171.10168	4.3
173.13281	27.9
175.14752	4.1
191.14304	53.2
191.15894	5.1
205.09598	3.8
209.15359	81.4
214.53641	3.4
227.16411	100.0
231.05072	5.1
265.80939	3.8
336.19391	3.2
338.25052	3.4
443.02106	3.5
492.25015	7.9
492.31152	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	492.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
55.05488	0.6
60.89638	0.6
66.83984	0.6
67.05508	1.4
68.99790	0.9
69.07064	0.8
70.06610	3.5
70.39754	1.9
70.40105	0.9
72.08144	1.6
79.05492	2.8
81.03403	1.2
81.07062	3.8
84.08150	1.6
84.96635	0.6
86.09713	3.5
91.05491	3.0
93.07047	1.0
95.04970	2.1
95.08601	2.1
98.21438	0.8
105.03361	1.0
105.07027	1.3
107.04945	1.2
107.08595	0.6
109.02888	2.7
109.10137	2.1
111.98495	0.6
119.04945	6.6
119.61830	0.5
120.08064	1.7
121.06519	1.0
123.04429	31.4
123.08051	1.1
125.02363	0.7
127.03907	1.4
128.87494	0.6
129.10249	1.3
131.08655	0.9
133.10155	0.8
135.04433	2.0
137.02373	0.8
137.05989	2.9
139.03905	2.8
147.04407	22.8
149.06018	3.0
149.09650	0.9
151.03900	85.2
152.04292	0.7
154.08606	0.9
161.05974	2.1
163.03899	2.8
165.04160	1.2
165.05473	13.9
177.05487	6.7
177.09166	1.1
179.07005	0.9
181.04985	1.7
201.09090	1.5
207.06580	0.9
207.10217	0.8
219.10158	100.0
220.10562	1.8
242.31621	0.6
244.09737	0.6
249.11206	2.1
285.89929	0.6
303.08670	2.6
352.65134	0.6
353.13794	1.2
371.14886	52.9
372.15320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01889	1.4
55.05513	0.9
62.98724	0.6
63.86195	0.6
67.05499	1.3
68.99805	0.7
69.03429	1.0
69.07089	0.7
69.85175	2.7
70.06602	1.0
72.08156	0.8
79.05500	2.0
81.03406	0.7
81.07066	4.5
84.04488	0.6
86.09709	1.1
86.82803	0.6
91.05490	3.6
93.07043	1.0
95.04972	1.6
95.08609	2.3
97.10181	0.6
103.05491	0.6
105.03444	0.6
105.07007	1.4
107.04987	0.8
107.08598	0.8
109.02895	2.2
109.10143	1.7
115.63871	0.6
119.04942	7.2
121.06484	1.1
123.01926	0.6
123.04430	29.6
123.08063	1.4
125.02350	0.8
127.03927	0.8
131.08611	0.8
135.04393	1.9
137.05969	1.2
139.03912	1.4
145.06400	0.6
147.04413	22.8
148.47305	0.6
149.05969	3.1
151.03905	84.6
152.04295	0.7
161.05975	1.7
162.68108	0.6
163.03905	3.5
165.05475	15.3
173.09682	0.7
177.05446	6.7
177.09100	0.9
179.07115	0.9
181.04929	0.7
195.10121	0.7
201.09166	1.0
207.06461	1.7
207.10153	1.0
209.15526	0.6
219.10161	100.0
220.10529	1.8
249.11183	1.5
285.07822	0.7
303.08594	3.0
353.13797	1.3
371.14880	55.9
372.15115	1.7
392.69290	0.5
463.46664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01868	11.4
55.05516	70.7
57.03432	7.3
57.07073	6.4
65.80471	4.0
67.05509	61.1
69.03411	11.0
69.07075	41.8
70.06593	6.5
71.08635	3.8
71.35692	7.8
74.05168	4.0
79.05487	47.7
81.03415	30.3
81.07057	100.0
83.04975	11.2
83.08620	45.8
85.02887	5.1
85.06532	15.8
86.09724	5.1
91.05480	42.3
93.07052	39.1
95.04971	20.5
95.08609	63.0
97.02863	5.5
97.06508	8.0
97.10174	79.1
99.08096	10.1
103.05429	5.3
105.07027	26.7
107.04952	33.3
107.08591	45.4
109.02864	10.8
109.06492	7.0
109.10161	35.2
111.08078	10.9
111.11688	8.5
115.05471	6.4
117.06995	12.5
119.08565	16.3
121.06470	18.0
121.10149	21.7
123.08054	6.7
123.11674	21.4
125.09645	49.9
125.13233	4.4
126.90228	4.2
129.06998	11.6
131.08524	21.2
133.10136	20.3
135.08037	12.8
135.11699	19.0
137.05983	4.6
137.13193	5.1
143.08525	10.7
145.06490	6.4
145.10094	14.2
147.08051	5.0
147.11639	5.1
149.09634	5.3
149.13239	5.7
153.09053	5.7
155.08632	6.0
157.10052	7.0
159.11711	4.8
161.09616	8.9
163.11136	16.1
163.14880	8.0
171.08008	6.0
171.10162	6.4
173.09555	7.9
173.13177	4.7
175.11092	4.6
179.10715	4.8
189.09238	8.6
189.11197	34.3
191.14229	7.6
193.12230	7.8
203.10664	4.6
219.13806	59.7
225.11156	5.4
227.12762	31.5
263.12839	11.3
265.14383	11.4
280.00439	4.4
293.28314	13.0
311.29507	22.6
353.21213	10.6
371.22183	11.0
381.20340	8.4
389.23141	7.5
399.21542	4.9
445.25751	12.8
463.27060	9.7
468.02505	4.0
473.25052	14.1
491.26199	80.3
518.21002	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	491.3003
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03936	8.2
55.01879	6.8
55.05512	39.6
57.03423	18.5
59.04985	6.6
65.03918	4.9
66.26435	5.1
67.05510	60.4
69.03426	6.4
69.07057	11.7
70.43141	16.1
71.04999	5.6
72.53503	5.1
79.05493	61.5
81.03414	53.2
81.06602	5.3
81.07061	76.6
83.04958	11.2
83.08629	28.4
91.05483	100.0
93.07046	50.0
94.99518	4.6
95.04970	33.6
95.08595	29.0
97.02908	4.4
97.06501	6.4
97.10143	18.5
105.07031	64.7
107.04961	10.2
107.08586	25.0
109.06431	4.5
109.10165	14.1
111.08099	5.8
115.05412	7.3
117.07007	33.0
119.08595	42.0
121.06511	7.0
121.10134	10.2
123.08057	8.2
123.11684	24.1
125.09661	8.3
128.06192	7.9
129.07030	35.2
131.08568	20.3
133.10101	19.9
143.08546	18.9
145.10136	18.6
147.11732	26.4
157.10089	12.9
161.13252	9.1
167.08650	7.2
169.10095	6.3
171.11661	15.7
185.13185	9.4
187.13280	10.1
189.11171	9.7
189.12753	5.8
193.12291	23.5
207.13754	13.0
209.13187	6.0
227.12752	11.6
243.15887	9.6
249.14766	15.2
267.15952	29.2
281.17380	32.7
305.17825	5.3
343.17395	4.6
363.23157	5.9
381.23935	10.7
399.25220	13.0
455.27719	5.2
473.29059	93.3
477.47427	4.8
491.30322	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	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56776	4.6
53.03929	8.5
55.01863	15.3
55.05276	5.5
55.05518	97.0
57.03424	9.4
57.07055	5.0
65.03941	8.6
67.05508	64.0
69.03419	12.9
69.07072	28.5
69.43934	31.7
70.06605	8.9
71.04973	5.9
72.92847	5.3
79.05501	66.8
81.03423	28.8
81.07056	75.5
83.04980	8.9
83.08619	61.3
85.06535	8.7
91.05497	49.1
93.07054	52.4
95.04986	23.7
95.08620	31.8
97.06532	5.8
97.10176	88.7
105.07039	34.1
107.04977	33.2
107.08590	52.1
108.87261	4.7
109.02856	11.3
109.06512	23.4
109.10173	19.7
111.08083	12.0
115.05402	4.7
117.07011	11.8
119.04931	21.2
119.08574	19.2
121.02897	7.4
121.06524	20.4
121.10146	20.0
123.04419	10.2
123.08015	6.2
123.11727	5.5
125.09634	80.9
125.10462	7.7
129.07043	10.9
131.08577	28.0
133.10138	17.5
135.08060	13.5
135.11703	18.8
143.08540	7.5
145.06519	5.6
145.10106	21.2
147.04434	81.6
147.08122	5.2
147.11700	12.0
151.03896	6.7
151.11171	5.0
153.09097	8.9
157.10127	5.1
159.11746	9.4
161.09633	9.7
163.11172	17.9
165.05486	7.0
171.10223	5.3
173.13324	7.4
177.12823	5.9
181.12260	5.4
183.11723	6.5
189.09505	7.7
189.11218	56.6
191.14279	13.8
193.12308	11.9
219.13803	77.8
225.11157	10.9
227.12807	37.2
263.12860	12.0
281.14136	6.2
281.17078	4.9
327.25177	10.1
371.22275	10.1
381.20413	6.4
389.23340	14.9
399.21707	8.9
407.24619	4.9
421.11218	4.8
430.94962	4.4
445.25818	20.9
463.26730	17.6
473.25336	14.7
491.25943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34800	1.5
53.03938	7.0
55.01860	11.0
55.05513	77.9
57.03428	4.5
59.04961	1.4
65.03925	1.9
67.05186	2.6
67.05507	35.0
69.03436	8.2
69.07064	15.0
69.43878	12.4
71.04983	2.0
79.05496	40.9
81.03418	22.2
81.07056	31.2
83.04987	8.0
83.08619	41.1
84.08182	1.7
85.06535	4.3
91.04975	2.3
91.05486	24.8
93.07044	17.0
95.04980	13.3
95.08639	9.9
95.09155	1.6
97.02886	2.6
97.06528	2.2
97.10171	81.9
97.84161	1.6
105.07038	18.4
107.04958	24.7
107.08586	27.8
109.02883	8.9
109.06519	13.1
109.10152	7.7
111.04444	2.5
111.08091	7.9
115.05457	3.9
117.07029	11.6
119.04912	2.2
119.08575	9.3
120.26245	1.8
121.02825	2.8
121.06506	20.2
121.10133	6.0
123.04419	1.9
123.08051	3.4
125.09631	69.2
129.06992	5.5
131.08582	13.4
133.06453	3.5
133.10139	12.3
135.04404	1.8
135.08058	9.4
135.11674	3.0
139.03867	1.8
142.07690	1.7
143.08586	4.9
143.10651	2.9
145.06454	4.9
145.10103	5.7
147.04439	2.5
147.08035	3.3
147.11723	3.1
149.02298	3.0
149.06007	1.9
149.09647	2.9
151.03905	5.5
151.11113	2.8
153.09064	7.8
155.08429	1.9
157.10114	4.2
159.08124	2.0
159.11763	1.7
161.05948	1.9
161.09625	8.7
163.11127	2.8
167.08510	1.6
171.08105	3.7
171.10217	10.5
173.05876	2.0
173.13219	7.5
175.11147	4.4
179.10634	2.8
183.11580	1.7
185.09737	2.3
187.11113	2.5
189.09180	4.7
189.11218	44.4
189.12921	2.4
191.14293	11.1
193.12213	9.2
201.12804	3.2
203.10478	1.5
207.10176	3.1
217.11987	2.1
219.13808	77.4
225.11232	7.3
227.12775	23.8
233.15205	1.6
237.07541	1.7
245.11763	2.8
263.12775	17.3
281.13748	3.8
353.21149	4.6
371.22070	11.4
373.23483	2.6
381.20566	7.5
389.23151	11.3
399.21631	9.8
407.24261	3.2
417.22552	7.0
445.25793	22.3
447.27286	4.6
459.27158	2.2
463.26898	13.7
473.25296	18.9
491.02811	1.8
491.26324	100.0
492.26807	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	490.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	2.8
51.48800	3.0
52.96216	3.7
53.03943	9.3
55.05515	16.4
57.07059	3.8
62.70581	3.2
67.05502	35.8
68.05022	10.3
69.07048	14.4
69.47285	8.6
69.47697	12.3
70.06593	61.9
79.05493	38.7
80.05000	10.1
81.03414	6.6
81.07058	53.9
81.49447	2.9
82.06569	9.2
82.49438	3.3
83.04990	4.0
83.08608	9.4
85.06526	4.8
86.09671	3.5
91.05482	56.3
93.06495	3.8
93.07040	54.4
94.06554	5.5
95.04972	36.8
95.08611	26.3
96.08128	15.6
97.06550	3.2
98.20778	7.0
100.07022	3.4
100.07623	57.8
103.05463	5.8
105.04433	3.4
105.07034	98.1
106.06513	4.2
106.07288	2.9
107.08593	33.5
108.08117	11.8
109.10149	23.8
114.05535	24.1
115.05432	7.1
116.06302	4.5
116.07046	18.7
117.07024	25.8
119.08580	80.5
120.08109	18.3
121.06464	5.7
121.10147	44.9
123.08064	4.8
123.11713	4.4
125.09600	5.2
128.06194	12.8
128.07071	75.3
129.07021	23.4
130.07765	12.8
131.08559	36.7
133.10123	35.7
134.09625	9.1
135.08075	4.7
135.11707	12.4
136.11206	7.3
141.06978	8.7
142.07764	24.0
142.08701	4.0
143.08556	44.2
144.09348	7.3
145.10124	82.7
146.09625	3.9
147.11653	20.2
148.11200	20.9
153.06989	4.2
154.08676	36.3
155.08560	16.3
156.09323	17.7
157.10123	55.2
158.10846	5.2
159.11702	24.6
160.11238	7.1
161.13237	7.4
162.12831	4.9
163.11174	3.4
164.07076	4.8
166.07736	4.3
167.08597	7.5
168.10358	17.7
169.10110	36.8
170.10834	4.5
171.11702	25.7
172.11171	7.7
173.13249	13.6
174.12813	7.8
175.14847	11.6
178.08684	9.2
179.08502	10.5
181.10072	16.1
183.11717	25.1
184.11153	6.3
185.13190	11.1
186.12781	3.6
192.10146	4.3
193.10060	6.2
194.11873	43.2
194.76819	3.4
195.11720	15.1
196.12549	4.4
197.13303	9.6
201.16405	6.0
206.11757	7.3
207.11700	11.9
209.13254	21.6
211.14915	15.0
212.14287	4.7
218.11760	12.1
220.13405	3.7
221.13239	6.6
223.14809	7.3
226.15895	8.6
232.13307	4.6
235.14877	5.3
237.16449	5.3
244.13556	4.4
256.13239	5.7
258.14911	8.1
259.15506	4.0
260.16434	17.1
271.15656	6.7
281.17599	6.2
284.16385	7.6
309.64938	3.2
360.72229	4.2
366.24249	3.4
380.25861	59.6
398.21918	6.3
398.26855	79.3
428.33154	6.8
447.91644	3.4
472.25955	4.4
472.32126	63.9
490.33160	100.0
491.29910	5.0
502.02209	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.1
58.58015	1.5
59.04722	3.7
59.05003	61.2
61.02908	1.6
62.42854	1.3
65.94802	1.8
69.03427	3.6
69.15749	17.3
70.06570	4.8
75.82760	1.5
84.04498	1.6
84.08101	1.9
85.02910	10.5
86.09686	2.5
87.04459	1.5
89.06034	100.0
94.21778	1.5
97.02874	2.1
98.20779	2.8
103.07551	3.2
107.04832	1.6
107.07046	5.9
112.46329	1.5
117.09122	5.6
129.10301	1.7
133.08601	37.6
145.04895	1.7
151.09676	5.3
177.11243	16.2
195.12288	98.4
195.44865	1.6
197.11694	3.0
207.20648	1.6
252.16814	1.7
253.16454	31.0
304.68652	1.7
311.20648	79.9
401.67691	2.0
407.31378	1.6
416.87137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95050	0.9
52.49544	0.8
59.05011	5.8
60.04530	1.1
60.79744	0.8
62.62315	0.8
67.05537	1.3
68.52026	0.8
69.03413	0.9
69.07065	1.8
70.06591	6.6
71.49590	1.4
72.08144	2.8
73.06543	2.4
74.06070	1.0
81.03424	1.1
84.04536	1.6
84.08136	4.0
85.02870	1.2
86.09702	6.1
87.04470	32.7
89.06030	76.6
91.05463	1.7
95.79218	0.9
97.02895	1.1
99.04492	0.9
103.03941	100.0
103.07581	3.4
107.07089	1.7
107.08617	1.0
110.07191	1.2
117.09126	1.6
119.07040	1.4
120.08094	3.8
121.08594	2.7
129.10223	1.9
131.07045	7.9
133.08603	45.6
147.06522	12.1
153.71873	0.9
163.09662	2.9
175.09659	4.0
177.11232	18.3
191.09157	5.8
207.12283	3.0
219.12329	2.2
221.13815	2.8
225.49704	0.8
235.11810	5.8
243.15834	0.9
265.16486	1.0
279.14462	1.7
310.14883	1.1
328.15811	1.9
371.22711	1.3
427.25327	1.3
473.25998	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01871	3.5
55.05496	5.9
57.03416	2.6
61.02909	2.4
67.05492	7.1
69.03142	1.5
69.03431	14.6
69.07057	2.1
69.41425	9.0
69.41842	4.4
70.06593	3.9
71.04979	6.5
72.08131	2.2
73.02897	3.6
74.27267	1.6
78.88542	1.9
79.05476	5.9
81.03433	10.8
81.07049	8.4
83.04971	5.3
83.08610	6.2
84.08148	2.8
85.02905	27.0
86.09684	3.3
87.00816	6.7
87.04446	6.9
91.05462	8.4
93.07056	9.3
95.04977	22.6
95.08590	7.8
97.02892	9.0
97.06448	1.7
97.10178	2.0
98.20741	2.0
99.04445	12.3
105.01862	5.4
105.07013	8.6
106.07388	1.7
107.08599	42.4
109.02872	7.5
109.06513	7.8
109.10161	3.7
111.04452	4.2
117.07050	2.6
119.08524	2.9
121.06502	2.3
121.10130	13.5
123.04461	2.2
123.08073	100.0
123.11687	7.7
125.05997	3.4
125.09636	28.5
127.03968	9.5
129.07022	2.2
129.10187	2.2
131.08562	5.3
133.10175	4.1
135.11679	2.0
137.05972	5.6
137.09608	4.4
139.11163	3.2
145.04939	3.0
145.10178	2.4
147.08131	2.8
147.11693	3.8
149.05945	2.5
149.09630	40.4
151.07571	6.8
157.10283	2.3
161.09616	2.7
161.13260	2.7
163.11150	2.8
165.09090	8.1
165.12814	2.9
167.10677	13.5
173.09521	2.3
183.13756	3.0
189.09099	1.9
189.12802	8.7
191.07048	3.1
191.10641	6.6
193.16019	2.3
207.13794	12.5
223.13284	4.8
225.14861	78.7
235.13329	10.0
237.14841	7.0
249.14871	29.3
267.15854	5.5
273.14862	1.9
291.15866	5.2
315.15833	2.2
315.71448	1.7
333.16803	2.3
437.18185	5.9
455.19476	2.7
490.65369	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
55.05506	5.1
56.05028	2.8
57.03428	3.9
59.04979	3.2
60.04514	2.4
67.05498	4.4
69.03427	8.6
69.07063	3.7
70.03682	11.0
70.06596	26.8
71.04981	3.9
72.08154	8.4
73.02924	3.7
74.06062	2.9
79.05482	5.4
81.03416	6.3
81.07042	7.4
81.07524	2.0
84.04500	8.0
84.08146	12.1
85.02907	27.8
86.09705	23.6
87.00813	3.1
87.04488	5.0
89.06036	5.8
90.73663	2.4
91.05496	10.6
92.81179	2.2
93.07033	4.8
95.04959	3.9
95.08611	3.0
97.02900	6.7
99.04456	3.2
101.07128	3.0
102.05544	3.0
105.07035	16.9
107.08577	13.8
109.02856	6.3
109.06523	4.8
109.10144	5.3
110.07158	4.7
116.95285	2.0
119.08569	22.1
120.08103	7.3
120.13470	1.8
121.10139	9.7
123.04418	2.6
123.08080	5.5
123.11716	17.7
125.09649	2.5
127.03935	3.9
129.10237	9.6
130.06529	3.5
131.08572	13.6
133.06491	3.0
133.08594	4.5
133.10132	5.2
135.08057	14.0
137.09604	2.8
138.05420	3.0
143.08559	8.7
145.04927	3.1
145.10117	12.7
147.08051	14.5
147.11688	21.4
149.05342	2.6
149.09581	13.8
156.09375	12.9
159.09239	3.1
161.09584	6.6
161.13220	5.8
165.09137	3.7
171.11700	33.1
189.12746	82.2
207.13814	100.0
218.88719	2.6
225.14806	5.6
239.29720	2.3
258.43402	2.0
328.11734	3.2
328.15833	5.5
329.02893	2.3
490.20828	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	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01872	1.7
55.05511	19.4
57.03432	3.8
57.07066	3.6
59.04994	3.2
59.98691	1.1
60.36694	0.9
60.71249	0.9
65.03944	4.3
67.05505	91.9
69.03426	1.3
69.07072	16.8
71.04987	3.7
71.08620	1.3
71.50307	1.0
73.18343	0.9
75.67817	1.0
79.05494	35.0
81.03455	1.1
81.07057	45.9
83.04962	2.3
83.08622	11.2
85.06538	3.8
91.05482	27.9
93.07047	40.0
95.04962	4.4
95.08611	33.4
97.06534	2.6
97.10175	4.6
99.08115	1.4
105.04556	1.6
105.07038	29.4
107.08600	27.5
109.06515	2.1
109.10159	51.2
110.10435	0.9
111.08102	3.9
111.11713	1.7
117.07032	9.5
119.08587	28.8
121.06525	1.2
121.10142	18.7
123.11710	3.2
125.09641	3.3
128.06219	1.2
129.07025	4.5
131.08578	18.2
133.10139	16.4
135.08087	1.4
135.11694	12.2
137.09604	2.4
137.13290	1.6
139.11195	2.1
141.06950	1.4
142.07819	1.1
143.08534	5.6
145.10139	16.1
147.08022	1.1
147.11700	12.0
149.09549	1.4
149.13232	5.5
155.08585	2.8
155.10728	3.3
156.09410	1.2
157.10133	5.1
159.11687	13.1
161.13281	7.1
163.11134	1.2
163.14821	1.5
169.10190	3.4
171.11674	5.2
173.11760	12.4
173.13298	9.2
173.34373	1.0
175.14871	3.8
181.10219	1.2
183.11688	4.4
185.13246	5.5
187.14799	5.1
197.13341	2.6
199.14835	3.6
201.16376	2.5
209.13252	1.6
211.14922	1.8
215.17935	1.4
225.16373	1.7
227.12711	1.0
243.21173	1.8
245.19054	2.4
253.19568	1.2
259.20654	2.7
261.22186	4.4
271.20605	1.5
273.22125	2.4
285.22308	1.7
287.20099	1.0
303.23187	1.7
315.23126	1.2
377.26935	2.5
379.30029	9.0
391.28757	1.1
397.31018	12.9
415.32272	3.1
433.33197	2.0
453.33453	1.3
471.34909	13.0
489.35818	100.0
490.36249	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	489.3574
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03954	3.4
55.01859	1.7
55.05512	18.5
57.03429	3.3
57.07068	2.7
59.05001	2.9
59.33255	0.8
63.23672	1.0
65.03941	3.1
67.05507	90.1
69.03431	1.4
69.07065	12.8
71.04996	3.5
71.08616	1.1
77.03914	0.9
79.05496	30.5
81.07059	42.1
83.04983	2.4
83.08622	8.8
85.06540	3.4
85.07014	0.9
91.05482	24.1
93.07049	38.3
93.20982	0.9
95.04982	2.4
95.08607	28.8
97.06532	2.7
97.10188	4.1
105.07034	21.3
105.75747	0.8
107.08599	19.6
107.09306	1.4
109.06543	1.7
109.10158	52.5
109.81946	1.0
111.08097	3.3
117.07022	10.9
119.08585	24.2
119.67345	0.9
121.10146	16.3
123.08088	1.6
123.11713	3.4
125.09629	1.9
129.06975	4.1
131.08566	13.5
133.10132	15.0
135.08064	1.6
135.11696	9.4
137.09644	3.5
139.11220	1.5
141.06990	2.4
142.07780	0.9
143.08591	5.0
145.10124	12.5
147.11699	11.4
149.09613	0.9
149.13290	5.2
155.08572	2.3
155.10641	4.6
157.10146	4.6
159.11694	10.9
161.13252	7.5
161.14336	0.9
163.14821	1.6
169.10176	2.7
171.11671	5.2
173.11763	12.5
173.13298	8.2
175.14839	3.1
181.09972	1.1
183.11740	3.3
185.13249	4.9
187.14853	5.5
197.13324	2.7
199.14900	2.9
201.16428	2.4
211.14867	1.7
213.14684	1.1
213.16502	2.0
215.18008	1.2
225.16319	1.0
227.17999	1.0
229.14246	1.0
243.21120	2.8
245.19023	1.1
253.19452	1.1
261.22101	5.8
271.20563	1.4
273.22079	1.2
285.22287	2.3
289.21750	1.0
299.23746	2.0
303.23184	1.4
313.25302	1.0
317.24963	2.7
369.31534	1.0
373.56293	0.8
377.26883	2.2
379.29916	7.1
391.28708	0.9
397.31061	10.6
409.09204	0.9
415.32208	5.1
433.33380	1.0
435.32736	1.1
471.34747	10.8
489.35785	100.0
490.36288	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.83146	1.1
53.03946	3.3
55.05510	18.6
57.03430	5.4
57.07081	2.5
65.03923	3.1
67.05508	63.3
69.03426	1.5
69.07069	14.3
69.37720	5.7
69.38145	4.2
71.04980	2.5
71.08625	1.3
78.05326	1.4
79.05497	28.7
81.07061	34.9
81.07529	2.6
83.08610	7.7
85.06547	4.1
91.05482	27.0
93.07046	37.7
95.04990	2.8
95.08613	28.1
97.06554	3.5
97.10151	5.5
98.21642	1.2
99.08115	1.5
105.04564	1.6
105.07032	25.6
105.07716	2.5
107.08592	22.0
109.10158	40.5
111.08072	1.6
117.07030	9.7
119.08580	32.6
119.09372	2.2
121.10139	17.5
123.11716	1.8
125.09665	2.5
129.07008	5.4
131.08548	18.0
133.10144	20.0
135.08145	1.2
135.11707	10.8
137.09601	2.4
139.11221	3.1
141.06987	1.6
143.08571	6.3
145.10121	21.5
147.11694	14.8
149.13277	5.8
155.08630	1.3
155.10675	2.9
156.47484	1.3
157.10091	7.0
159.11693	13.2
161.13268	7.9
163.14879	1.4
169.10199	4.0
171.11685	6.7
173.11740	8.1
173.13293	8.7
175.14856	2.9
183.11713	3.9
185.13266	5.8
187.14844	5.8
197.13322	3.5
199.14896	4.1
201.16426	1.7
211.14856	3.6
213.16493	1.7
225.16425	2.3
241.19661	1.6
253.19522	1.4
257.18985	1.3
259.20624	2.1
261.18292	1.4
261.22156	4.2
271.20590	1.6
273.22156	1.5
275.19894	1.5
285.22119	2.3
299.23880	1.9
317.24924	1.8
333.24152	1.6
342.38104	1.4
363.25067	1.4
377.26904	3.5
379.29971	10.5
391.28381	1.6
397.31073	14.4
415.32135	3.6
433.33511	1.8
434.38733	1.4
453.34036	1.3
471.34836	13.3
489.35831	100.0
490.36169	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	489.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03944	2.9
55.05243	1.0
55.05511	15.5
57.03438	2.8
57.07078	2.3
59.05009	3.8
65.03937	3.0
67.05506	100.0
69.03419	0.6
69.07069	10.4
69.84451	1.6
69.84835	1.1
71.04992	3.9
79.05496	29.5
81.07059	31.7
83.04971	1.2
83.08626	6.9
85.06551	2.3
91.05481	20.4
93.07046	33.6
95.04988	2.5
95.08611	22.3
97.06534	1.7
97.10178	1.9
105.04482	1.2
105.07033	11.5
107.08592	15.0
109.06486	1.1
109.10159	65.2
110.10474	0.9
111.08063	2.7
117.07017	5.1
119.08582	15.6
119.96001	0.6
121.10147	13.3
123.08097	0.7
123.11722	2.0
129.07048	0.9
131.08571	7.9
133.10139	7.5
135.08054	0.7
135.11699	8.0
137.09650	3.1
139.11208	1.2
141.79373	0.7
143.08563	1.4
145.10123	6.0
147.11668	5.2
147.58138	0.7
149.13266	2.4
155.10693	5.5
157.10158	1.7
159.11717	4.6
161.13251	3.5
163.14886	1.3
163.72852	0.6
169.10143	0.6
171.11739	1.8
173.11777	18.4
173.13300	3.4
175.14851	1.2
184.60400	0.6
185.13330	0.9
187.14819	1.4
199.14903	1.3
201.16438	1.0
213.14734	0.7
243.21155	1.3
261.22128	3.9
317.24713	0.6
379.29907	1.8
397.31152	2.5
415.32327	1.4
471.35214	3.0
489.35760	60.7
490.36261	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77791	1.9
53.03936	3.9
55.01851	2.3
55.05516	20.0
57.03438	3.5
57.07074	8.3
59.04999	3.1
66.93825	2.0
67.05502	36.7
69.03416	8.1
69.07066	30.9
70.06592	26.5
71.04978	2.3
71.08623	3.6
71.49747	3.0
72.08154	6.8
73.02911	2.6
79.05490	27.0
81.03402	4.0
81.07051	100.0
83.04982	2.1
83.08636	16.5
83.21159	2.1
84.04492	4.0
84.08136	5.3
85.02911	13.0
85.06541	28.2
86.09708	18.3
88.03957	3.7
89.06103	2.2
91.05476	13.4
93.07040	38.4
94.06565	6.9
95.04950	4.0
95.08603	77.5
97.02895	5.4
97.06552	4.8
97.10155	10.0
98.97570	2.6
99.04421	2.9
99.08089	24.5
105.07021	15.6
107.04982	2.2
107.08596	34.7
109.02892	4.7
109.06544	3.6
109.10152	47.8
110.07156	2.0
111.08072	6.5
111.11710	6.0
113.09661	3.8
117.07027	2.9
119.08572	16.1
120.08090	3.5
121.06496	3.0
121.10138	23.7
123.04497	3.8
123.08054	3.8
123.11719	20.4
125.09620	4.9
125.13287	2.2
127.03922	3.8
127.08690	2.8
127.11175	2.7
129.10234	2.6
133.10167	11.7
134.63895	2.1
135.11681	21.6
136.07550	2.6
137.05980	5.9
137.13264	11.2
139.11116	3.5
145.04942	3.0
145.10161	5.1
146.05992	11.3
146.86678	2.1
147.04388	2.4
147.11659	5.4
149.06001	2.9
149.13258	23.8
151.04001	3.2
151.11156	2.1
159.11685	3.0
161.05978	3.4
161.13234	4.5
163.06081	2.3
163.14856	15.8
165.09088	4.1
165.16434	2.8
174.03952	3.2
174.05511	6.4
175.14816	3.5
177.16393	7.9
189.16411	3.2
191.17969	4.4
195.08121	2.7
195.17438	2.5
202.03593	2.3
203.18050	4.2
209.18997	2.9
217.19553	4.7
221.19069	3.6
225.06723	2.4
229.15559	4.6
234.89149	2.2
235.20532	2.1
246.18799	2.3
261.25943	2.7
269.15414	2.6
273.25732	7.7
279.26791	17.5
285.11362	3.0
291.26801	28.4
295.09485	3.4
309.27893	25.9
327.12408	4.3
327.28912	5.9
392.78580	2.4
392.83942	2.4
489.06973	4.4
489.22855	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	489.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90386	1.7
53.03956	8.4
53.77089	1.7
55.01863	6.8
55.05512	20.4
57.03424	3.1
65.03934	4.1
65.46685	1.5
67.05509	45.6
69.03437	4.4
69.07072	12.7
70.06588	2.2
71.04998	3.1
71.06800	1.6
71.07157	3.7
73.02889	1.8
74.33186	1.6
79.05499	49.8
79.53559	1.7
81.03424	20.3
81.07059	42.5
83.04967	7.7
83.08631	12.7
91.05486	38.2
93.07049	57.6
93.36772	1.5
95.04984	20.1
95.08614	44.6
97.02883	5.0
97.06515	5.4
99.04473	3.5
102.40606	1.6
105.07042	33.7
106.74589	1.8
107.04958	19.3
107.08593	37.8
109.02880	7.5
109.06520	4.1
109.10149	8.2
111.08070	5.7
115.05413	2.0
117.07029	14.7
117.94162	1.7
119.08595	20.5
121.06524	10.8
121.10153	15.7
123.04456	3.7
123.08076	5.1
125.05956	3.1
126.50341	1.8
128.06186	2.1
129.06181	1.6
129.06990	9.9
130.07797	3.4
131.08556	5.7
133.06436	2.1
133.10135	8.2
133.81786	1.7
135.08081	3.5
135.11697	46.3
137.06021	1.7
139.07515	2.5
140.31129	1.5
141.06975	2.5
142.07709	1.6
143.08574	7.1
145.06493	4.4
145.10123	28.0
145.29564	1.6
147.08022	3.9
147.11668	11.7
149.09552	2.2
151.03880	3.1
157.10176	3.5
159.11659	5.5
161.09584	6.1
161.13257	4.1
163.09874	3.5
163.11197	52.1
167.07097	1.8
169.10089	1.9
171.07982	2.5
171.11684	11.1
177.12779	2.5
181.12219	12.0
187.11215	3.8
187.14807	2.8
189.09129	4.2
189.12746	4.0
193.12285	4.1
195.13795	2.1
198.86246	1.7
207.13797	10.2
209.11682	3.1
225.11142	3.0
227.12804	100.0
228.13101	3.2
279.15952	9.9
337.17920	3.1
345.09964	1.5
471.27805	2.2
489.28775	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	489.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71911	0.9
51.02368	1.5
53.03946	4.7
53.93694	0.8
55.01867	5.4
55.05512	15.6
57.03433	3.5
57.07068	1.7
61.02925	0.9
65.03940	3.4
67.05506	36.8
69.03432	2.2
69.07063	10.0
70.16422	3.1
71.04988	2.8
73.02907	1.3
77.03917	1.5
78.91544	0.8
79.05495	51.9
81.03411	7.0
81.07056	31.9
81.07535	1.3
83.04982	8.6
83.08614	7.6
85.02912	1.4
85.06522	2.0
91.05480	34.6
93.07044	55.6
95.04970	13.1
95.08609	42.3
97.02871	3.8
97.06536	4.8
97.10208	2.2
98.20846	1.1
99.04453	4.9
103.05473	1.6
104.18590	0.8
105.04514	2.6
105.07031	22.3
107.04951	11.9
107.08598	30.9
109.02833	1.0
109.06526	4.0
109.10158	3.9
111.04446	1.2
111.08091	1.6
115.05477	1.6
116.28904	0.8
117.07027	11.7
119.08580	17.4
119.42843	0.8
121.06510	7.0
121.10143	12.5
123.08061	3.0
125.05997	2.5
127.07593	1.3
128.06252	1.7
129.07005	7.3
130.07782	3.6
131.08609	2.2
133.10132	6.8
135.08076	2.4
135.11693	42.0
143.08600	4.7
145.10129	27.0
147.08064	0.9
147.11688	11.1
153.12753	1.0
154.94174	0.9
161.09618	2.7
161.13281	4.7
163.11182	54.3
171.11685	10.6
173.06041	1.0
173.09650	1.3
181.12245	14.3
181.13747	1.5
189.12732	4.0
204.05783	0.8
207.13814	11.7
209.11765	2.5
225.14839	1.7
227.12778	100.0
228.13162	1.4
489.28464	41.4
490.28879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15587	0.8
56.77393	0.8
69.30363	5.9
70.06580	2.6
72.08144	1.4
84.04498	2.6
86.06062	0.9
86.09698	2.4
86.92692	0.8
95.20636	0.7
95.21365	0.9
101.81925	0.8
103.71364	0.9
115.05517	0.9
117.07007	2.4
137.81525	0.7
143.07277	1.1
144.08087	100.0
145.08342	1.1
150.03763	0.9
152.07121	1.3
155.06058	0.8
161.10750	16.7
162.02234	2.0
166.05017	1.3
181.07315	5.0
182.08078	1.3
196.04280	2.2
214.05351	17.6
240.06853	1.8
255.01762	1.4
256.58719	0.9
360.12167	2.9
375.06296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96363	0.5
55.01873	0.6
63.63463	0.6
66.92693	0.5
69.92459	2.7
70.06577	0.6
76.03993	1.0
80.05022	0.7
83.06105	1.0
84.04506	8.6
84.39011	0.6
85.04028	2.5
87.16023	0.6
92.01700	0.9
93.05804	0.5
94.06579	1.0
96.08120	0.6
97.01092	0.8
98.00641	0.5
99.02677	1.4
99.05601	1.4
106.06557	1.2
108.08115	1.1
111.02628	0.8
113.03479	1.1
116.14082	0.6
117.05785	1.4
118.06535	1.1
122.06010	1.2
122.09674	0.8
124.02198	4.3
124.07569	1.7
125.02947	2.0
126.03751	1.3
126.68392	0.6
129.06616	1.3
130.05029	4.7
131.04514	2.4
134.05998	0.9
135.02661	1.1
135.06824	0.8
136.07573	1.4
137.04198	0.9
138.03682	1.4
138.09198	0.6
139.04408	0.7
140.05292	1.9
145.06122	0.9
148.03905	1.2
149.04129	1.1
149.37077	0.6
150.03748	6.2
152.01651	0.7
152.07060	2.6
160.00673	0.7
164.05307	1.5
166.03468	1.2
166.04994	15.7
168.04764	5.2
170.02682	0.9
170.06418	0.7
177.03305	8.0
178.03215	2.2
178.06854	1.0
180.08931	0.8
181.07347	47.2
182.08139	13.3
184.09727	1.2
185.03773	1.8
186.05934	0.9
194.06371	1.4
196.04289	6.1
214.05330	100.0
215.05690	0.8
216.06897	1.5
222.05869	1.0
231.04352	7.0
240.06897	7.6
250.10757	0.8
257.09567	3.5
257.11932	0.6
267.08011	1.8
268.06400	9.2
285.09052	5.7
288.06613	0.6
306.07550	0.7
313.14053	1.0
323.10651	1.7
360.12247	10.3
385.61246	0.7
396.12180	0.6
414.13330	2.8
453.94110	0.7
489.16162	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	488.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.0
56.05031	0.9
57.03449	5.6
59.05004	100.0
59.49449	0.6
60.04503	0.8
60.05344	0.8
61.65601	0.5
65.03941	0.7
65.17617	0.6
67.05515	1.4
68.05034	0.9
69.03443	2.4
69.07081	2.9
70.02961	2.7
70.06211	1.4
70.06598	29.1
71.05000	0.6
71.06934	0.7
71.49316	0.5
72.08161	2.7
73.02932	0.9
74.02448	0.7
78.02307	0.7
79.05511	0.9
81.03440	1.3
81.07070	2.4
83.00386	0.6
83.04993	1.2
84.04502	1.6
84.08153	4.3
85.02908	6.9
86.06096	0.6
86.09711	13.6
86.10192	1.0
87.00866	0.7
87.04472	4.0
87.10042	0.8
88.03997	7.3
88.04480	0.7
89.06042	9.9
90.06382	1.0
91.05494	1.4
93.07069	1.6
94.06575	10.6
94.71495	0.6
95.04974	0.9
95.08634	2.2
97.02917	3.2
97.06644	0.8
99.00856	0.9
99.08105	1.6
100.48150	0.7
101.09682	1.0
104.03485	2.0
105.01892	1.5
105.07038	2.0
107.05003	0.8
107.08589	1.7
109.02899	1.6
109.10191	0.9
110.07150	1.2
111.08115	0.8
112.08765	0.8
115.07634	1.2
117.09142	32.3
118.09500	0.7
119.08561	0.7
120.04514	1.8
120.08084	3.0
121.10170	1.4
127.03938	2.4
127.08661	1.6
129.10286	2.5
130.02910	0.9
130.06683	0.7
130.07767	1.1
130.08649	0.9
132.04445	1.0
133.08604	4.6
134.08942	1.3
135.10173	0.8
136.03979	1.3
136.07608	0.9
137.05997	0.8
141.06619	1.2
145.05020	0.9
145.10158	2.1
146.06009	16.2
147.06400	0.8
150.05493	0.8
151.04016	1.0
154.05028	1.3
155.08252	1.4
156.04523	0.9
163.11214	2.0
165.09148	0.8
168.29637	0.7
174.04068	2.9
174.05586	7.6
174.06958	0.9
175.13300	13.9
175.14702	1.0
177.11320	1.3
183.14978	0.7
192.06612	1.5
193.14397	3.2
202.03488	3.9
205.12265	0.7
207.08209	1.2
209.12979	1.1
217.09494	0.6
222.09244	1.0
223.07692	2.3
223.13474	0.8
225.06798	0.7
226.56401	0.7
229.15466	8.4
233.17583	2.5
235.07669	1.0
237.05515	0.9
249.08211	0.7
249.10451	0.7
249.49039	0.7
250.08710	1.0
251.18553	1.3
252.10207	1.2
268.09756	0.9
277.08246	1.7
278.08768	1.0
286.17758	1.0
295.09250	3.2
309.22733	31.7
310.22980	0.7
318.14981	0.7
326.27911	1.4
419.16397	1.2
435.13824	0.8
454.19797	2.4
457.14386	0.8
475.15225	1.7
481.87189	0.7
485.93860	0.7
488.22040	5.9
489.23193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03949	12.0
55.01859	4.1
55.05514	21.9
55.93491	1.5
57.03442	3.7
60.39576	1.3
65.03944	6.7
67.05506	71.5
69.03439	2.4
69.07070	10.8
69.94984	6.3
71.04981	2.9
73.06566	2.1
74.63045	1.3
74.82838	1.3
77.03913	1.3
79.05493	100.0
81.03432	12.3
81.07055	61.9
83.04972	15.0
83.08618	7.4
85.06543	2.1
91.05479	76.9
93.07043	74.0
93.07921	1.8
93.66144	1.5
95.04963	26.3
95.08607	32.7
97.02926	1.4
97.06539	6.7
97.10177	3.6
98.21439	1.5
99.08099	2.3
103.05431	2.5
105.04524	2.8
105.07030	57.4
107.04957	6.5
107.08599	23.8
109.06520	7.9
109.10160	6.3
111.08084	2.6
115.05460	3.0
117.06994	11.5
119.08578	33.5
121.06509	4.2
121.10139	6.6
123.08035	9.0
128.06239	4.4
129.07007	21.5
131.08551	5.3
131.58682	1.4
133.10118	13.9
135.11696	4.0
137.09659	1.7
141.09152	1.4
143.08549	11.5
145.10135	11.8
147.08066	3.8
147.11693	40.8
161.09566	6.8
161.13269	19.2
163.11177	4.6
171.11690	37.1
179.14322	5.1
189.12762	14.3
207.13783	44.9
225.14838	7.4
281.17560	5.6
335.16391	1.7
395.51196	1.4
487.19910	2.2
487.30554	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	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03754	1.0
53.03952	11.4
55.01855	3.5
55.05512	27.1
57.03423	1.9
59.66276	0.9
60.42077	0.9
65.03619	0.9
65.03947	5.4
67.05507	68.5
68.00952	0.9
69.03413	1.7
69.07072	13.6
71.04984	4.0
73.06545	3.3
77.03914	2.3
79.05496	100.0
81.03423	10.8
81.07059	57.0
83.04983	15.8
83.08612	7.2
85.06538	4.0
86.73810	1.2
91.05486	77.6
93.07045	75.9
95.04375	1.9
95.04972	28.7
95.08607	36.2
97.02825	1.1
97.06540	6.5
97.10152	3.8
103.05458	1.8
105.04517	4.3
105.07034	54.7
107.04951	6.8
107.08598	23.3
109.06531	9.0
109.10178	5.5
111.08073	2.1
115.05450	2.1
117.07018	12.9
119.05000	1.1
119.08585	32.1
121.06497	3.2
121.10127	6.6
123.08084	9.2
127.07526	1.7
128.06223	4.5
129.07016	22.6
131.08548	3.5
133.10126	12.2
135.08000	1.3
135.11690	4.1
137.09657	1.3
141.07034	1.0
143.08542	12.0
145.10117	14.2
147.08055	3.2
147.10509	2.3
147.11684	43.8
149.81483	1.0
156.09271	1.3
159.11731	2.5
161.09686	6.0
161.13269	21.2
163.11142	1.4
171.10533	0.8
171.11693	37.4
179.14230	5.4
189.12755	15.9
207.13808	49.1
225.14780	5.6
263.16449	2.3
281.17572	3.9
324.25830	1.0
416.71927	1.0
469.29401	2.2
487.30530	44.7
488.31015	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	487.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52696	4.4
54.41408	4.2
54.70299	4.4
54.90797	3.9
55.01853	3.8
56.05037	5.7
59.05009	6.8
60.04513	8.2
69.03426	16.2
69.07057	9.6
70.06593	53.4
71.04997	4.5
71.50505	7.8
72.08134	20.8
73.93407	3.9
81.03413	21.0
84.04500	21.3
84.08134	20.5
85.02916	8.7
86.09708	100.0
86.86555	5.0
87.05605	7.9
88.04005	5.1
91.05486	8.5
95.04988	5.0
97.02869	5.2
101.07186	6.6
110.07139	6.5
113.92277	5.3
119.04967	5.0
120.08092	7.9
121.02863	13.4
123.04426	32.3
129.10204	10.0
130.05023	13.0
136.07646	6.2
137.05984	18.3
139.03900	10.6
141.10239	10.9
144.08104	19.9
147.04398	15.5
147.07652	19.8
147.09184	6.4
155.11819	13.4
159.11287	15.5
163.03922	12.7
165.05431	6.9
166.08574	5.9
183.11287	9.8
191.08138	73.9
193.04947	9.6
199.75183	4.6
200.13953	29.2
228.13406	22.1
255.02892	9.8
260.16031	28.0
266.15329	5.6
295.06000	12.9
307.12854	20.4
325.13931	57.4
335.09091	5.5
341.21927	10.1
351.08804	5.4
373.06970	9.1
414.88528	4.9
459.10199	6.3
469.09232	8.8
487.10248	53.5
487.16934	7.6
504.50217	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	487.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99272	0.6
61.21151	0.7
66.55107	0.6
70.50840	0.8
70.93587	0.8
70.93909	1.1
74.05237	0.6
86.22647	0.7
109.28499	0.6
117.07064	1.8
144.08093	100.0
145.08429	1.0
155.06122	0.7
161.10742	14.5
177.43593	0.7
179.03406	1.0
193.01709	0.8
362.84375	0.8
387.44687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.0
57.07077	18.4
66.50670	2.5
66.65939	2.2
67.05506	4.3
69.07061	5.5
71.08639	11.6
81.07050	9.4
83.08606	4.4
85.10172	5.4
87.04474	18.8
95.08607	6.8
97.10155	4.4
99.88320	2.2
107.08566	6.1
109.10153	6.0
111.11684	3.6
119.08579	4.7
121.06487	4.4
121.10139	2.8
123.11694	2.3
131.08585	2.5
135.08035	4.2
137.09604	9.0
149.09615	11.0
159.11676	3.4
163.07480	2.3
163.11197	17.1
165.09119	100.0
175.11160	5.7
177.09135	10.8
177.12730	2.9
180.10204	7.4
184.17152	2.5
187.11203	3.7
191.10657	12.6
205.12225	10.5
219.13773	4.8
331.26175	2.5
411.35971	3.3
429.37292	71.4
429.43170	3.5
430.37814	4.0
444.38266	3.5
486.48273	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	485.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.3
55.05509	0.8
57.07072	0.5
60.13522	0.3
65.03945	1.4
69.07050	0.4
78.04726	0.3
79.05485	0.7
81.03420	0.7
81.07060	0.3
85.06533	0.4
91.05481	44.8
92.05814	0.4
93.07047	0.3
97.02872	0.3
103.05475	0.4
104.06251	3.1
105.07033	8.6
111.08075	0.5
119.27296	0.2
123.08056	0.4
127.07504	0.3
131.08527	0.4
133.10130	100.0
134.10454	1.3
147.08060	3.7
149.09616	0.6
171.10178	0.7
191.44322	0.2
215.20560	0.3
485.28867	0.3
497.97412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3604
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
57.07069	0.6
60.27678	0.5
71.08624	0.6
71.30144	1.1
71.52470	0.5
74.05296	0.5
81.07051	1.2
86.97208	0.7
87.04459	0.6
91.05475	1.1
93.07044	0.7
98.24229	0.5
105.07027	0.8
119.08552	0.6
133.10135	4.3
256.26434	1.3
296.19797	0.6
385.92825	0.6
485.35941	100.0
486.36429	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	486.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.89150	0.8
55.01860	1.6
55.05518	9.6
56.05032	2.0
57.03433	1.1
57.07063	1.6
58.99590	14.8
59.04988	1.8
60.92847	0.8
61.01157	0.9
65.03935	1.8
65.75202	0.9
67.05508	39.4
69.03425	2.2
69.07079	5.7
70.06575	3.0
71.04992	2.0
71.33853	1.1
72.08148	1.7
73.01132	1.1
76.02230	69.9
76.03996	3.1
79.05496	10.6
79.58910	0.8
81.06597	1.5
81.07059	29.3
83.04963	0.8
83.06113	5.3
83.08618	3.2
84.04506	22.7
84.08138	1.9
84.89009	0.8
85.01162	1.9
85.02913	1.1
85.06529	2.3
86.09692	3.3
86.99032	5.2
87.02682	1.1
88.02209	2.2
89.06037	0.9
91.05468	8.7
91.41488	0.8
93.06503	0.8
93.07050	12.1
95.04963	3.3
95.08612	48.7
96.08910	0.9
97.06500	1.4
98.21427	0.8
99.05566	2.0
105.07043	9.8
107.04956	1.0
107.08587	7.7
109.06526	5.0
109.10161	29.0
109.58248	0.8
112.03980	1.1
113.04231	1.9
116.00909	1.7
116.01682	23.0
117.06969	1.1
119.08595	15.3
121.10168	4.4
123.08057	4.4
123.11744	1.1
126.09167	1.3
129.06578	5.6
130.05000	7.1
130.06854	3.2
130.08607	1.2
131.08559	1.2
133.10132	4.2
134.09654	2.0
135.08035	1.4
135.11682	1.5
137.09595	3.5
139.05783	2.1
141.07307	1.2
142.03198	5.3
144.01138	13.4
145.06090	1.3
145.10146	1.0
151.14827	19.2
155.08315	1.0
157.10117	1.1
159.11656	1.3
161.13239	9.9
162.02206	47.8
170.02676	2.3
175.14703	1.4
176.14381	1.2
178.15985	1.7
179.04861	100.0
179.14311	36.0
179.15579	0.6
180.05077	1.1
187.05376	4.0
199.07132	0.8
203.14346	1.5
215.04834	1.5
216.06920	1.8
219.11873	1.0
233.05917	17.9
233.09473	1.3
236.14641	3.0
237.13110	3.0
245.05942	3.4
271.35199	0.8
290.17410	1.0
291.06476	2.2
308.09113	13.9
326.14603	1.0
339.17325	12.5
357.18359	1.4
365.18341	0.9
393.18036	1.4
411.19543	17.9
452.58267	0.9
468.15326	1.1
468.21509	4.8
468.27258	0.9
486.22839	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	485.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58270	0.3
65.28598	0.4
69.80295	1.9
72.08129	0.4
84.04491	0.3
91.05485	0.6
93.52038	0.3
98.21410	0.6
112.15415	0.3
114.10249	0.5
115.05476	0.6
117.07015	2.2
143.07306	1.5
144.08089	100.0
145.08414	1.8
155.06079	0.4
161.10751	15.2
174.06572	0.4
230.45142	0.3
234.34122	0.4
373.08945	0.4
436.45831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	51.7
59.05005	16.1
60.58936	0.8
60.97467	0.9
63.59105	0.9
63.96292	0.8
69.07053	2.4
69.98825	1.7
69.99232	2.5
70.06580	0.9
71.08633	100.0
71.38165	0.8
74.50168	0.8
83.33223	1.0
85.10184	51.8
87.04462	4.2
89.06030	77.4
90.71387	0.8
91.07639	1.1
95.08552	0.9
103.07568	5.1
105.87934	0.7
113.19148	1.0
118.40555	0.8
127.14829	7.6
129.82430	0.9
130.08662	1.4
131.07031	3.0
133.08604	49.3
175.09656	1.2
177.11235	26.5
185.19000	9.4
200.20154	1.5
221.13744	1.6
222.15561	1.0
229.21693	3.7
239.14870	2.4
265.16440	2.0
277.32309	0.8
283.17514	22.7
284.17648	1.1
310.37787	1.0
311.29544	1.3
323.20648	3.2
327.20062	3.3
341.21878	0.9
467.35837	6.1
484.47037	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	484.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30687	1.1
56.96579	2.5
69.92351	4.8
71.52531	1.2
98.97575	15.8
116.98634	8.0
134.99675	3.4
156.96678	2.0
174.97688	4.4
175.97768	3.3
192.98743	3.2
198.97766	1.6
214.95679	6.0
215.95706	6.0
216.98749	3.9
217.98924	2.4
232.96738	9.9
233.96788	9.3
234.96523	1.3
234.99808	4.4
235.58847	1.2
235.99889	1.7
250.97789	4.2
251.97856	5.7
256.96686	20.2
257.96823	24.7
258.96841	2.4
258.99905	8.4
259.99963	5.8
260.99829	2.3
261.03000	1.6
274.97714	34.6
275.97888	34.9
276.97586	5.7
277.00916	7.3
278.01215	2.8
281.97183	2.4
282.99963	7.1
284.00107	9.5
284.99835	3.9
286.00095	1.5
289.96631	1.2
292.98776	4.8
293.98975	3.1
298.97760	41.7
299.97891	60.8
300.97562	7.9
301.01065	8.7
302.01080	10.2
303.01120	1.8
316.98828	44.3
317.98944	66.3
318.98648	9.0
334.99649	1.5
339.99844	1.5
340.98938	1.9
341.99106	1.7
357.97101	1.4
359.00079	4.1
360.00183	5.0
375.97900	2.7
399.98007	4.8
402.01456	1.4
417.98938	10.0
418.98462	3.4
423.97894	9.0
426.01532	2.1
440.98962	4.6
441.99075	100.0
442.98193	12.1
444.02338	2.6
458.99811	4.3
460.00125	84.0
460.99744	10.3
483.01657	5.1
484.00714	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	484.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.9
55.05502	4.6
56.05016	2.6
56.83917	1.7
57.03430	8.7
57.07057	4.0
59.04985	2.2
61.02916	4.2
67.05483	7.5
69.03430	13.9
69.07062	4.7
69.35009	3.3
69.35415	13.0
70.06587	21.8
72.08139	5.6
73.02919	23.7
79.05478	10.1
81.03428	2.5
81.07050	100.0
84.04514	2.5
84.08133	9.4
85.02904	33.7
86.09696	16.5
87.04486	2.7
93.07042	2.9
95.08611	41.2
97.02415	1.6
97.02901	24.5
99.04447	2.3
107.04908	1.8
107.08583	1.8
109.02852	4.1
109.10105	2.3
110.07127	2.6
114.09175	3.4
115.03926	11.4
120.08086	6.3
127.03918	12.9
129.10193	3.2
133.04968	20.4
137.05928	3.6
137.13252	56.6
144.06631	1.8
145.04959	18.4
161.09276	3.1
163.05995	11.1
180.41957	2.0
184.07393	4.4
197.88609	1.8
210.08702	1.5
215.13855	2.3
222.80858	2.2
223.05914	3.6
241.06944	3.2
259.08069	10.7
277.09177	1.8
295.10297	8.7
304.19901	1.9
304.82416	2.0
322.97070	1.7
461.14749	1.6
483.83096	2.1
484.30237	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	483.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52813	1.3
52.43574	1.2
53.03931	2.3
55.01871	2.4
55.05516	58.7
57.07078	51.8
59.05002	2.2
67.05510	25.6
69.03441	4.4
69.07072	16.1
69.18348	13.6
71.08635	34.9
79.05499	14.4
81.07058	32.2
83.04992	3.2
83.08624	45.3
85.10186	20.3
86.25916	1.3
87.04465	1.8
89.06044	3.9
91.05492	1.9
93.07055	5.6
95.08611	27.3
95.50829	1.3
97.10175	70.7
99.11730	2.9
107.08598	17.4
109.10165	13.0
111.08105	2.0
113.13317	1.3
117.05514	1.6
123.11726	5.2
125.09637	61.1
133.08623	2.2
135.08076	6.3
137.13301	2.1
143.10701	2.3
153.09132	4.3
169.43848	1.6
171.10181	7.3
189.11232	59.6
227.12769	21.5
227.14888	1.3
239.23625	8.8
270.38455	1.5
343.43390	1.3
354.54379	1.5
399.88815	1.2
483.36890	100.0
484.37079	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	483.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43402	1.3
55.05504	4.3
57.03426	2.0
57.07078	100.0
58.04223	1.7
59.04721	2.1
59.05002	38.2
67.05479	2.3
69.07059	4.7
70.84695	1.3
71.08633	86.1
71.15323	2.6
72.05783	1.6
80.91020	1.4
81.07039	2.2
83.08620	4.0
85.10185	66.2
86.07330	1.4
86.09683	1.4
87.04475	3.3
88.05222	1.5
89.06033	6.4
90.01931	15.0
90.06331	2.0
95.08624	1.8
97.10156	4.3
99.11743	12.1
101.06007	1.6
101.09631	2.5
101.47691	1.3
103.07585	2.0
113.13279	3.3
114.64294	1.3
117.09142	12.4
133.08556	3.1
141.16402	2.1
155.17935	5.3
159.28108	1.3
159.63033	1.3
189.11227	1.5
199.20587	2.8
213.22165	5.6
222.39233	1.3
228.23215	2.0
257.24780	3.3
267.45163	1.4
271.26398	2.1
284.17987	1.8
351.41733	1.4
436.04825	1.4
483.38135	42.0
484.47318	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	483.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
59.45238	0.6
60.31986	0.6
67.05499	1.8
69.03432	0.9
69.07072	1.2
70.06583	2.4
71.49966	1.1
72.08138	1.3
79.05482	1.9
81.03420	1.5
81.07053	1.8
85.02895	0.8
86.09703	1.9
87.70892	0.6
91.05490	1.3
93.07050	1.9
95.04978	1.0
95.08578	1.4
104.78104	0.8
105.07017	1.7
107.08588	1.8
109.10122	1.5
111.04454	0.8
115.05360	0.7
119.08582	1.4
121.10192	0.6
123.04466	1.7
123.08189	0.7
131.08553	1.0
133.10176	1.1
145.10118	0.8
147.04448	0.9
147.11681	0.6
148.48491	0.6
150.85858	0.7
161.05997	1.0
165.05492	1.7
177.05548	0.9
177.36241	0.6
184.07437	1.1
259.08057	0.9
259.74255	0.6
317.10165	1.2
321.16672	1.0
464.53082	0.7
483.22040	100.0
484.22314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01870	4.2
55.05523	1.5
57.03418	1.1
60.41573	0.7
65.03934	1.8
67.05502	4.4
69.03427	1.9
69.07063	1.7
70.06600	5.1
70.74631	2.4
77.03903	1.1
78.04705	1.3
79.05487	5.3
81.03431	4.4
81.07038	3.3
83.04964	1.9
83.08650	0.8
84.04500	1.3
84.08134	2.6
85.02900	2.6
86.09724	4.7
91.05475	8.2
92.66766	0.8
93.07032	7.3
95.04967	6.6
95.08604	3.0
97.02893	2.9
99.04425	1.1
101.07076	0.9
103.05467	3.3
105.07030	10.1
107.04961	9.1
107.08587	3.4
109.02884	9.2
109.06504	1.5
109.10128	1.7
111.04436	1.3
115.05481	1.4
117.07010	1.6
119.04933	5.5
119.08593	1.7
120.08092	4.0
120.16325	1.0
121.02855	0.9
121.06509	7.1
121.10130	1.6
122.06050	0.8
123.04428	67.2
125.05931	0.9
127.03946	1.4
133.06482	8.2
133.10149	3.5
135.04396	8.8
135.11713	2.0
136.07570	0.9
137.02394	1.0
137.05919	4.1
139.03905	9.6
141.06943	1.1
143.04919	1.7
143.06044	0.9
143.08556	1.0
145.10124	1.3
147.04414	22.8
149.05972	12.7
149.13245	0.9
151.03902	56.2
151.07573	1.2
152.04521	0.9
153.05496	3.9
153.12750	0.8
159.08107	0.9
161.05981	22.4
163.03897	4.4
163.11223	1.2
164.07063	0.9
165.05475	18.1
165.06799	1.0
166.06255	12.2
167.07045	21.3
168.07364	1.9
169.04970	4.2
169.06279	1.1
173.05962	3.1
175.03905	1.2
175.07509	1.8
177.05475	12.1
179.07043	3.4
180.07816	3.3
181.04991	3.4
181.08595	26.8
183.02850	0.9
183.08145	0.9
184.07323	1.5
187.07480	1.1
189.05464	2.6
193.04947	11.9
193.08598	24.2
199.07561	1.4
203.07095	2.2
207.06503	7.6
215.07025	5.5
217.08673	1.6
225.05553	1.3
239.07138	1.6
243.06606	1.8
257.08167	1.5
267.06522	1.3
285.07529	8.3
289.95294	0.8
299.08795	0.9
303.08627	100.0
304.08878	1.3
313.18118	1.7
317.10205	5.1
329.10504	1.0
331.11758	40.5
331.15677	2.1
483.15674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80631	0.6
56.96561	1.3
60.64545	0.7
61.45086	0.7
69.42783	0.6
71.06106	0.8
71.06445	1.3
84.78928	0.7
98.97588	14.0
114.95518	1.1
116.98618	4.9
117.36309	0.6
132.96526	0.9
134.99608	1.7
141.72755	0.6
147.95467	0.7
156.96587	1.8
174.97639	8.0
190.95682	1.2
192.98714	3.6
198.97650	1.0
203.65987	0.7
205.82974	0.7
214.31310	0.7
214.95627	13.7
216.98723	6.9
228.54254	0.7
232.96683	22.4
234.97459	1.3
234.99696	6.0
240.98929	1.8
250.97772	7.7
256.96689	45.6
257.96854	1.8
258.99835	7.9
260.99963	0.9
261.03110	0.7
274.97733	62.1
275.97876	3.0
276.98196	1.0
277.00928	5.7
278.01184	0.7
280.96542	3.4
282.99994	10.1
283.99991	1.3
284.99866	1.2
289.96274	1.7
292.98746	8.0
298.97745	95.2
299.97913	4.6
301.01047	9.9
302.01175	1.5
303.01065	1.4
314.95972	1.2
316.98804	100.0
317.98975	5.5
318.99081	0.8
332.96875	1.1
334.99805	1.6
340.00427	1.8
340.98825	2.9
356.97089	1.2
358.99838	6.0
374.97952	4.1
380.96909	1.3
398.97910	5.0
401.01291	0.8
416.98892	11.4
417.99100	0.9
422.97638	5.9
440.98929	85.0
441.99100	7.1
443.02036	1.9
451.82932	0.8
458.99942	77.8
459.99954	6.2
461.00140	1.5
473.01563	0.8
482.01553	3.4
483.00311	4.1
500.97858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21613	0.7
56.05029	0.9
57.03414	1.0
57.07083	3.5
57.07312	0.6
57.40411	0.7
58.06586	1.4
59.04971	0.9
60.07896	1.1
60.08169	14.9
62.65569	0.7
62.82779	0.8
67.05493	1.1
69.07046	1.0
70.06590	1.2
71.07388	5.9
71.08624	2.6
71.49567	1.1
75.70006	0.6
81.07031	1.2
83.04971	0.7
85.10163	1.2
86.09711	48.2
88.07542	0.7
91.05481	0.9
95.08604	2.0
98.98491	3.5
100.82281	0.7
104.10750	94.0
125.00011	26.5
133.10106	0.7
134.64606	0.7
146.87329	0.6
148.40752	0.6
163.00153	0.7
181.41414	0.7
184.07352	100.0
258.10971	1.1
287.01962	0.8
295.56979	0.9
299.25732	2.2
464.31427	8.3
482.32440	24.6
483.32935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52229	0.6
53.03941	1.3
55.01869	1.3
55.05274	1.2
55.05513	14.6
55.29445	0.6
56.05035	1.2
57.03430	1.8
60.04541	0.7
61.02903	0.9
66.92420	0.6
67.05492	2.8
69.03429	4.1
69.07070	53.2
70.06593	11.8
70.07399	0.7
71.04990	2.2
71.50184	0.6
72.08150	2.4
73.02921	7.6
74.02476	0.6
74.06107	0.8
79.05489	2.3
81.03411	3.3
81.07063	4.0
83.04974	1.7
83.08597	1.3
84.04506	1.5
84.08146	6.7
85.02916	6.7
86.09704	4.7
91.05472	1.9
93.07047	5.7
95.04953	1.1
95.08604	3.8
97.02907	3.6
97.06533	4.0
99.04457	0.9
105.07046	1.2
107.08598	5.9
109.02889	1.1
109.10169	3.5
110.07154	1.3
111.08088	1.1
115.03932	1.7
116.07056	0.6
119.08515	1.1
120.08118	4.0
121.10131	1.1
123.04450	1.3
123.11720	0.8
126.05473	0.7
126.36929	0.7
127.03947	1.5
129.10246	2.6
130.06567	0.9
133.05037	1.1
133.06148	1.2
133.10136	1.3
135.11693	6.0
136.07558	1.5
137.05975	1.2
142.53447	0.7
144.08076	0.8
145.04941	1.1
147.04408	1.0
147.11620	0.9
153.12749	100.0
154.13101	1.4
163.03935	0.7
171.13788	2.2
177.05246	0.7
191.03439	0.8
192.03755	0.8
193.12230	2.3
195.06549	0.8
211.13292	1.4
267.16037	0.9
285.12106	0.7
285.16995	7.6
323.76947	0.7
374.20630	0.7
385.93372	0.7
482.17563	0.8
482.27216	1.1
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
52.77111	1.8
54.48927	2.0
55.05506	7.2
57.03448	4.0
67.05511	20.0
69.03418	4.0
69.07069	11.3
69.72272	12.0
70.06612	12.4
71.04993	2.6
72.08141	6.0
79.05488	8.6
81.03407	3.0
81.07061	52.7
83.04977	6.3
83.08601	8.6
84.04504	3.5
84.08149	5.1
85.02889	7.4
85.06542	4.6
86.09724	12.8
91.05492	17.0
93.07039	8.7
94.06554	2.0
95.04971	3.2
95.08629	11.1
95.86058	2.0
97.06542	2.3
98.06055	2.1
98.21249	6.4
100.11244	4.5
105.07047	23.1
105.12287	2.2
107.08593	7.9
109.02895	4.2
109.06516	2.5
109.10183	3.7
110.07136	2.0
119.08627	15.9
120.08084	7.1
121.10151	13.3
123.04423	6.7
123.11722	21.2
127.03804	3.2
129.06999	2.7
129.10254	3.9
133.10141	4.7
135.19444	2.2
137.05984	3.3
137.13292	2.7
147.11694	48.1
157.10117	3.9
165.05464	5.3
165.12775	19.2
183.13792	4.2
193.12347	3.5
229.14304	6.9
267.15915	37.7
271.15051	2.5
283.39417	2.2
285.16983	100.0
286.17319	2.6
331.17062	3.3
471.70441	2.2
481.80496	13.6
482.19617	5.0
482.30225	9.2
482.80319	3.3
508.30890	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79446	3.2
55.01849	4.2
55.05510	8.7
56.36998	2.6
57.03429	4.5
67.05516	11.1
69.03411	2.8
69.07061	9.9
70.06586	17.8
70.16412	12.5
72.08160	2.8
79.05491	12.3
81.03403	3.4
81.07057	43.8
83.04991	2.7
83.08604	5.3
84.04551	2.9
84.08137	8.9
85.02900	8.7
86.09698	9.1
91.05494	17.5
93.07056	7.6
95.08599	10.6
97.02929	3.0
99.04502	2.8
99.08100	3.2
102.84366	3.0
105.07021	23.4
107.08595	11.5
109.02869	4.6
109.06521	4.6
109.10173	4.8
111.08046	2.7
119.08584	20.0
120.08125	5.7
121.10163	17.7
123.04442	6.1
123.11701	17.9
127.03896	3.3
129.10231	3.8
130.70078	2.7
133.10063	5.1
137.05966	9.5
137.13213	3.6
138.06322	3.6
145.10124	3.2
147.11703	44.0
151.03929	4.3
154.08554	6.3
157.10118	3.5
163.40329	4.2
165.12755	20.0
167.07108	6.1
184.07248	3.8
205.64006	3.1
229.14301	7.7
236.12880	3.4
267.15906	46.6
285.16965	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	482.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.0
55.05504	6.3
56.05037	5.3
57.03431	11.9
57.07076	6.5
59.05004	8.6
61.02914	9.0
67.05499	7.0
69.03428	24.2
69.07056	7.6
70.06582	26.9
71.04985	18.3
71.50935	3.5
72.08166	16.6
73.02918	34.1
74.06068	5.4
79.05502	6.0
81.03413	3.6
81.07051	8.3
83.04971	4.7
84.04504	6.5
84.08154	19.2
85.02904	55.7
86.09710	33.7
88.03997	3.4
91.05469	8.0
93.07049	17.0
95.08613	20.1
97.02880	34.6
97.03364	3.5
97.06493	8.6
99.04464	5.8
103.03923	4.6
103.05473	4.4
104.10751	13.1
107.08604	16.6
109.02908	4.9
109.10176	17.0
110.07150	8.5
111.04437	3.9
111.05621	4.0
114.09156	4.9
115.03928	11.6
116.07073	4.6
119.08539	6.7
119.71987	3.3
120.08116	14.0
121.10156	3.9
123.08054	5.3
127.03919	21.6
129.10226	6.5
133.04997	19.1
135.11707	30.9
136.07597	5.9
137.13263	4.7
144.08115	3.7
145.04941	14.6
148.54723	3.8
151.11166	8.1
153.12749	100.0
184.07370	11.5
193.08640	13.2
211.09636	24.1
242.00282	3.6
245.63689	3.3
259.08246	4.2
285.16940	5.3
315.18073	7.3
320.20511	10.1
426.26218	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	481.2258
Annotation	Tyr Val Ala Glu
Peak:m/z	Relative Intensity
54.70510	0.4
56.79969	0.3
69.99744	0.6
70.00164	1.3
70.06580	1.0
72.08148	0.8
84.08121	0.5
85.02960	0.4
86.09702	0.8
86.23499	0.4
91.05474	0.4
95.24432	0.3
110.07211	0.5
120.08121	0.5
121.02908	0.5
123.04467	0.4
129.90540	0.4
136.07564	1.4
144.08122	2.0
151.67220	0.4
319.17258	12.1
331.04449	0.6
361.06619	0.5
455.49380	0.4
463.09958	0.7
481.22589	100.0
482.22928	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	481.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.4
55.05502	14.2
56.05028	5.7
57.07065	4.3
60.04530	4.1
61.01168	3.7
61.02930	3.9
67.05507	25.1
68.59018	3.0
69.03439	9.6
69.07055	8.3
69.21938	3.0
70.06586	51.1
70.06927	13.8
71.05009	5.9
72.08157	11.8
79.05492	11.4
81.03410	10.4
81.07054	26.1
83.05002	7.7
83.08630	13.9
84.04508	4.8
84.08157	19.1
85.02921	16.3
85.06553	8.5
86.09710	31.8
87.00756	3.7
91.05478	14.9
93.07050	14.1
95.04982	7.2
95.08605	40.7
97.02885	10.0
97.06525	8.3
97.10169	6.5
98.20869	4.0
99.08047	3.5
100.07637	4.8
100.11262	10.1
105.07053	9.6
105.86579	3.7
107.04988	5.3
107.08580	9.0
108.04492	5.2
109.02903	6.0
109.10147	35.9
110.09728	4.6
111.04450	13.6
111.08070	5.4
114.10294	5.5
119.04940	4.5
119.08593	6.4
120.08118	20.8
121.02926	4.5
121.10175	6.3
122.06014	4.4
123.04432	12.1
123.11689	25.0
127.03945	6.8
128.10657	5.3
129.10239	7.0
130.06586	5.8
132.86818	3.9
133.10097	4.8
135.04416	4.0
135.11668	8.2
136.07591	10.7
136.12001	7.3
137.02296	16.9
137.05988	15.6
137.13237	4.3
139.03917	9.2
140.07021	4.5
144.08128	3.7
145.10126	4.8
146.10506	8.2
147.04420	5.5
151.03896	5.1
151.14742	3.5
159.09190	4.7
161.06010	5.5
162.05542	4.0
163.03926	13.6
163.11145	5.3
164.07051	13.0
164.11536	8.1
164.82201	3.7
165.05496	6.5
173.64142	3.9
177.05438	4.6
179.18008	33.0
180.06540	5.4
181.05115	4.4
182.15424	12.7
191.03409	21.9
194.08119	100.0
197.19054	15.3
210.14880	16.5
214.12286	4.3
215.20033	19.0
227.12805	8.9
228.13132	14.8
238.14409	5.5
269.12836	17.7
283.15366	16.7
284.15762	34.8
287.13858	12.9
301.07053	18.2
301.15494	5.2
311.05615	5.1
319.07199	4.0
319.16562	35.2
337.21179	6.8
337.24878	5.9
353.06598	4.5
453.94781	3.4
464.31094	8.9
481.33347	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	481.1684
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
53.03937	0.5
55.01868	0.5
55.05505	0.9
57.17856	0.4
60.04517	0.7
67.05502	0.9
68.11982	0.4
69.03416	0.9
69.07069	0.8
69.57046	1.1
69.57455	1.2
70.06593	8.2
70.50272	0.5
72.08146	1.5
74.06061	0.6
78.03144	0.3
81.03407	0.5
81.07063	2.1
84.04478	0.7
84.05736	0.4
84.08128	1.4
85.02899	1.0
86.09711	2.5
91.05505	0.5
93.07040	0.5
95.04955	0.4
95.08633	1.9
97.02885	0.5
99.09158	0.4
105.07047	0.6
107.04964	0.5
107.08587	0.4
109.02850	0.7
109.10133	2.0
110.07186	0.6
118.06892	0.4
119.08517	0.5
120.08121	2.3
120.08833	0.4
121.10131	0.4
123.04410	1.0
123.11694	0.8
127.03921	0.6
130.06512	0.5
131.08516	0.4
137.05978	1.3
137.13251	0.5
139.03883	0.6
141.10197	0.6
143.11720	0.5
147.04457	0.6
155.03096	1.0
163.03896	1.2
165.05533	0.9
169.04724	0.9
169.09798	0.8
171.02713	0.6
173.04253	1.1
175.11707	0.3
177.05586	0.4
178.46436	0.4
179.17935	1.4
188.87126	0.4
191.03447	0.4
197.19046	1.1
215.05290	2.5
215.20062	0.6
229.06851	1.3
245.06190	0.4
259.05798	0.7
284.15744	1.1
291.08456	0.6
313.15063	0.5
317.08380	4.2
319.13068	0.8
349.12622	2.9
366.29117	0.4
440.12680	0.5
481.16794	100.0
482.17072	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
57.03428	4.2
57.07078	100.0
58.23003	2.2
59.04717	3.1
59.05003	55.2
67.05497	3.6
69.07064	4.4
71.08633	98.8
71.11028	3.5
71.74039	1.8
73.02522	2.8
73.02922	49.7
79.05499	2.9
81.07031	5.2
82.06344	1.8
83.08602	5.7
85.10184	90.4
87.04458	5.0
89.06024	1.9
95.08570	3.5
96.08938	2.3
97.10153	2.4
99.08090	2.9
99.11744	10.9
101.09639	3.9
102.55464	1.7
109.10136	2.5
117.09138	18.3
125.05989	3.8
141.16414	11.3
195.72284	1.9
199.20581	15.9
213.22108	2.4
257.24808	17.9
278.81894	2.1
435.36935	1.9
463.37119	1.9
480.37323	3.8
481.37802	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	480.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
57.03431	2.1
57.07076	100.0
59.04715	2.0
59.04999	36.7
62.93301	1.1
69.07058	2.7
71.08632	77.0
73.02917	32.9
81.07034	1.4
83.08588	3.2
85.06578	1.4
85.10182	59.1
87.04472	1.8
89.06007	2.5
95.08602	1.3
97.10177	3.3
99.11732	12.4
101.09651	2.0
104.49514	1.1
109.10074	1.2
111.11761	1.4
113.13282	4.2
117.09119	15.3
131.68300	1.1
155.17953	8.9
157.18834	1.0
171.17535	1.2
175.09703	3.1
213.22101	10.2
257.24814	1.1
271.26318	11.1
391.93457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3087
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.13267	1.2
52.49725	1.1
53.03952	1.5
55.05513	13.2
57.03434	5.9
57.07082	6.9
62.06093	29.2
63.94917	1.7
67.05509	10.0
69.06693	1.5
69.07069	21.2
69.17448	1.9
69.17843	12.0
71.08614	3.8
79.05489	5.8
81.07059	10.9
83.08622	15.0
85.10190	2.1
85.73724	1.1
89.06014	2.2
91.05489	2.1
93.07038	7.7
95.08616	13.9
96.68681	1.4
97.10162	7.5
98.06034	3.0
98.98455	8.4
100.77213	1.3
105.07038	1.6
107.08587	3.8
109.10185	6.4
111.11765	1.6
121.10134	4.8
123.11680	1.5
133.08527	1.2
133.10072	1.5
135.11688	4.3
135.19824	1.5
145.10124	1.6
149.13281	2.0
155.01019	5.6
187.28497	1.5
216.06322	4.7
265.25244	5.2
267.15927	2.0
308.29459	49.3
308.80365	1.3
311.05026	1.4
339.28928	100.0
340.28998	2.1
375.39764	1.3
419.25845	2.5
462.30002	1.9
462.36624	3.2
480.30215	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	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.7
57.03438	12.2
59.04975	1.4
61.02926	10.3
67.24226	1.2
69.03433	18.2
69.23049	2.6
69.23454	7.9
70.06577	4.4
71.01350	3.1
71.04971	2.0
72.08133	1.4
73.02514	2.8
73.02917	55.3
81.03401	4.8
84.08134	4.0
85.02909	44.3
86.09751	1.3
87.04470	2.6
87.92297	1.1
91.03902	1.4
91.05479	17.2
93.07060	1.3
95.04951	3.5
97.02893	33.5
99.04431	2.6
108.52539	1.1
109.02874	5.1
110.07119	1.5
115.03922	17.0
115.50697	1.3
116.07087	3.2
119.04937	14.4
120.08134	1.3
123.08074	1.2
127.03914	14.5
133.04976	21.2
133.06485	2.0
137.05977	2.2
138.05550	2.3
145.04948	14.8
150.07578	2.0
151.07545	100.0
161.06027	2.2
163.06018	4.7
163.07452	3.2
165.09113	9.5
169.08615	11.4
174.06583	1.3
175.07526	2.1
181.08595	4.7
189.09015	1.8
193.08578	16.2
205.08609	8.3
217.08609	2.2
221.08131	1.6
223.05992	4.1
229.08527	1.9
235.09644	2.9
241.07054	4.2
247.09782	7.2
259.08133	4.4
265.10727	16.1
277.10617	3.4
283.11819	1.3
415.92371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.43596	0.4
51.70773	0.4
53.03935	0.8
55.05515	12.7
57.03440	6.9
57.07079	6.1
59.05001	0.7
67.05505	10.8
68.06241	0.5
69.07070	20.3
71.08634	4.2
79.05502	4.9
81.06595	0.7
81.07060	11.2
83.04977	1.3
83.08160	0.7
83.08621	11.7
83.15692	0.5
85.10181	1.0
86.09703	0.7
91.05469	1.4
93.07039	6.9
93.66686	0.4
95.08601	10.9
97.06512	1.6
97.10167	7.5
98.21555	0.9
98.98484	0.6
104.32715	0.5
107.08595	4.8
109.10154	4.4
111.08075	1.3
111.11710	2.0
111.87728	0.5
121.10149	5.8
123.11686	1.3
124.01600	0.5
124.67847	0.5
135.11697	3.9
137.13239	0.8
139.11195	0.9
149.13274	1.4
165.16388	0.5
190.97453	0.5
198.05255	0.5
204.21800	0.4
240.60489	0.5
240.73535	0.5
247.24142	0.8
265.25259	1.8
267.08923	0.9
303.11365	0.6
308.29486	4.2
317.17783	0.5
339.28943	100.0
340.29285	2.1
480.33487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58101	3.1
54.53049	3.9
55.05509	24.5
57.07078	85.9
67.05498	14.9
69.07069	42.2
71.08633	77.1
79.05485	13.7
81.07065	40.0
83.04971	13.1
83.08612	29.7
83.56850	3.3
85.10185	48.1
89.06052	4.7
91.05457	6.0
93.07040	28.6
95.08600	41.4
97.06556	6.5
97.10176	22.9
99.08110	4.8
99.11709	7.2
101.06008	36.9
103.44788	3.4
105.07031	4.9
107.08604	33.2
107.14604	3.5
109.06500	13.8
109.10183	16.7
111.08080	7.2
111.11710	13.1
113.13249	5.1
115.07565	8.9
121.10142	22.4
123.11709	8.7
125.05933	5.9
125.13239	6.4
127.07555	81.6
128.04268	3.5
129.05489	100.0
135.11719	26.2
137.13219	8.6
139.07556	5.6
143.07050	9.8
149.13312	17.7
151.14766	5.2
153.12718	5.3
157.08591	4.9
163.14822	15.1
167.14288	3.7
171.10242	4.0
173.13321	3.8
177.16379	13.9
178.24423	3.7
181.15926	8.3
185.11848	4.2
191.17932	8.8
209.15329	4.7
209.19054	5.6
219.20930	3.4
233.22496	4.6
289.28864	9.8
298.49496	3.5
307.29871	7.7
317.28693	4.7
419.35638	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	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17482	3.8
55.05510	7.8
57.06830	5.8
57.07076	63.3
57.42399	4.0
67.05476	4.3
69.07060	20.2
71.04970	15.5
71.06208	7.7
71.08625	75.7
79.05469	8.2
81.07038	13.2
83.08598	13.1
85.10190	43.4
89.06027	46.5
91.05501	8.5
93.07039	6.3
95.04948	4.4
95.08607	8.2
99.04455	4.6
99.11755	5.8
107.08610	9.7
109.10145	5.9
113.13246	6.6
119.08566	5.0
121.10178	5.2
125.06008	54.7
135.11617	4.7
137.05968	6.6
141.05487	6.3
145.10153	5.0
151.07527	34.6
153.05469	100.0
153.09114	5.7
163.07500	7.7
165.09119	28.6
173.13257	5.7
177.09111	17.2
179.10704	11.3
183.06557	10.4
187.11203	4.2
191.10643	6.3
195.10173	4.8
205.12285	6.2
207.13823	5.2
209.11729	7.0
233.15404	6.2
237.14897	6.9
241.54774	4.3
251.16393	5.8
265.17911	8.5
275.20053	6.9
279.19522	10.0
307.22708	5.6
321.24130	6.2
419.35172	44.6
455.11594	4.6
479.37582	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	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01873	2.3
55.05510	14.1
57.03432	14.5
57.07078	93.0
59.04989	4.9
65.03934	2.1
65.55500	1.6
67.05504	53.7
69.06733	1.3
69.07066	11.4
71.04977	2.4
71.08620	7.7
79.05079	2.1
79.05499	27.9
81.07059	51.5
83.08159	1.8
83.08614	10.2
85.10157	5.2
89.06017	7.7
91.05480	15.9
93.06494	2.6
93.07047	41.2
95.04997	2.5
95.08613	40.4
97.06535	2.7
97.10160	4.1
98.21628	3.6
103.07578	2.3
105.07042	15.7
107.08597	27.7
109.10169	27.7
111.11725	1.7
117.07013	5.7
119.08569	11.7
121.10151	24.5
123.11715	9.2
125.06005	3.9
127.11201	25.4
131.08578	12.9
133.10144	10.7
135.11691	13.9
137.13263	5.5
138.70163	1.6
145.10152	10.4
145.12225	8.0
147.11679	7.4
149.13260	9.7
159.11629	8.4
161.13275	8.8
163.14818	5.2
173.13249	7.3
175.14818	1.9
187.14870	4.3
201.14871	100.0
233.22580	1.8
243.21071	10.9
261.22162	51.3
279.23163	2.4
305.39795	2.1
317.24838	11.5
335.25818	39.6
387.32449	5.2
389.85330	1.7
431.49371	1.8
443.35379	2.3
461.36102	16.2
479.35846	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05518	13.6
57.03436	13.8
57.07077	92.9
59.04999	4.1
65.03918	3.8
67.05506	63.8
69.07072	16.0
69.61687	9.2
71.05019	3.0
71.08626	6.7
71.29063	2.1
79.05498	28.8
80.89169	2.1
81.07057	65.7
83.08611	10.8
85.10175	5.9
85.58776	2.2
89.06041	11.5
91.05472	19.1
93.07045	41.4
95.08610	46.9
96.58634	2.0
97.06499	2.8
97.10156	6.1
98.20831	3.9
103.07552	2.9
105.07030	14.1
107.08601	27.1
109.06448	2.9
109.10140	30.4
117.07021	6.0
119.08562	12.7
121.10161	19.6
123.11738	10.9
127.11201	33.7
129.33553	2.2
131.08580	13.6
133.10158	13.7
135.11682	12.5
137.05980	6.1
137.13249	5.1
145.10130	12.1
145.12244	5.3
147.11679	6.6
149.13222	10.0
159.10211	2.2
159.11688	8.9
161.13266	5.3
163.14839	6.2
173.13274	8.1
175.14865	2.3
187.14879	7.4
201.14857	100.0
215.25388	1.8
243.21031	10.9
261.22147	54.0
279.23300	2.6
317.24655	14.2
335.25775	43.4
419.35596	2.4
461.36249	18.8
465.54117	2.8
479.35138	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	479.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49378	1.7
55.01852	5.0
55.05510	18.8
57.07073	21.1
59.04992	5.3
61.15872	1.7
63.52615	1.8
67.05506	15.7
69.06738	3.0
69.07075	37.5
71.04996	12.4
71.08633	16.5
79.05478	6.5
79.82806	1.7
81.07058	40.3
83.04971	1.9
83.08624	19.5
85.06532	1.8
85.10166	9.3
89.06025	13.0
91.05491	5.8
93.07035	7.4
95.08605	33.1
97.10175	16.2
98.20718	4.2
99.04456	5.8
105.07010	3.9
107.04985	2.8
107.08564	6.8
108.04785	1.8
109.06498	6.8
109.10158	20.3
111.08078	2.8
111.11729	10.7
113.06007	2.3
119.08573	6.0
121.10134	6.0
123.11727	10.9
125.05996	34.6
125.09616	2.5
125.13258	5.6
127.03936	13.0
133.08594	5.1
133.10155	4.0
135.08037	2.5
135.11697	4.2
137.05988	46.8
137.13248	7.2
139.07542	7.8
142.29393	2.1
145.10080	2.3
147.11635	2.5
149.05992	2.0
149.09593	2.2
151.07536	5.7
151.14835	2.5
157.10133	3.2
159.11687	4.2
161.13252	2.5
163.14973	2.0
164.48970	1.8
167.07060	28.5
175.11137	2.5
177.09134	9.7
177.12686	2.7
185.13297	2.4
189.12651	3.1
191.10674	2.2
193.12090	2.3
197.13167	2.1
199.11153	2.7
205.12199	2.6
207.13823	2.0
213.12679	3.8
220.88333	2.1
275.20404	2.1
317.31976	2.9
335.32974	4.0
401.34018	3.1
415.35876	2.3
419.34927	2.6
425.34238	6.8
443.35193	8.7
461.36243	9.0
479.34958	100.0
480.35480	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01873	8.5
55.05513	28.7
57.06833	2.4
57.07082	30.1
59.04996	5.0
66.46257	1.5
67.05505	25.7
69.07075	59.6
71.05000	23.3
71.08634	17.1
71.11931	1.6
74.03659	1.7
76.08054	1.5
79.05492	12.4
81.07059	75.5
81.07535	4.0
83.00186	1.8
83.04992	2.6
83.08157	2.7
83.08621	48.0
85.06563	3.8
85.10199	12.6
89.06023	7.6
91.05492	4.6
93.07077	11.7
95.04993	1.8
95.08613	59.3
97.06474	1.9
97.10170	35.4
99.04440	9.9
99.11745	3.3
105.07037	5.6
107.04935	3.1
107.08589	10.2
109.06515	13.1
109.10159	38.6
109.10850	3.2
111.04438	4.4
111.08075	4.0
111.11706	24.0
113.06019	4.2
117.07013	2.0
117.09102	1.7
119.08603	7.6
121.10156	7.2
123.08107	1.9
123.11713	23.7
125.05994	86.7
125.13283	7.0
127.03918	28.6
128.27682	2.2
133.08704	1.7
133.10133	3.7
135.08060	2.6
135.11665	8.6
137.05984	100.0
137.13258	12.9
139.07562	2.7
139.14803	2.4
145.10103	2.2
147.11682	3.0
147.91505	1.6
148.76823	1.6
148.92761	1.9
149.05946	4.2
149.09641	2.7
149.13229	6.0
151.07524	6.0
151.14836	5.5
152.27011	1.8
156.09383	1.9
157.10135	3.4
159.11635	3.6
161.09630	3.3
161.13255	3.5
163.14815	4.8
165.16402	2.3
167.07045	54.3
169.10039	2.5
171.11702	7.0
173.09644	3.3
173.13113	2.1
175.11240	6.2
177.12735	2.4
177.16273	1.8
179.07050	2.5
183.11748	2.3
185.13281	3.9
187.11244	3.1
189.12720	3.9
191.10716	3.8
193.12218	4.3
193.19536	2.2
195.11722	1.8
195.14047	2.2
198.10420	5.1
201.12878	3.0
203.14301	2.9
205.12202	3.5
211.14774	1.7
213.12701	10.6
219.13805	6.2
235.17104	2.1
255.67165	1.8
283.29816	2.6
317.31937	8.1
335.33026	8.6
353.34161	2.1
383.33075	4.4
397.34528	6.0
401.34149	2.9
415.35608	3.5
425.34061	4.9
443.35522	3.0
461.36288	5.7
479.35165	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	479.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	4.2
53.00295	5.4
53.03948	15.0
55.01883	9.5
55.05515	50.0
57.03431	14.6
57.07055	2.5
59.04996	3.2
59.12663	2.1
65.03938	6.4
67.05509	100.0
68.88143	1.7
69.03432	5.6
69.07078	21.7
70.06606	3.0
71.01339	6.1
71.05003	11.3
73.02933	2.1
73.06565	2.3
77.03918	2.8
79.05499	88.9
81.03425	26.1
81.07061	78.9
82.67999	1.8
83.04979	17.2
83.08624	22.1
85.02904	2.8
85.06549	7.6
88.26151	1.7
91.05487	74.6
92.05878	2.4
93.07051	89.8
95.04971	23.2
95.08617	25.8
97.02895	6.3
97.06527	19.7
97.10190	14.0
97.63372	1.8
99.00819	20.5
99.04452	2.9
99.08079	4.0
103.05463	4.9
105.04543	3.0
105.07039	53.0
107.04986	14.1
107.08605	58.1
109.02892	17.3
109.06519	11.8
109.10165	17.9
111.08090	12.2
115.03943	4.3
115.05499	4.2
117.07034	17.5
119.08587	27.9
121.06509	12.7
121.10134	20.4
123.04476	2.4
123.08075	5.5
123.11723	4.6
125.09627	5.5
128.06239	5.2
129.07047	8.7
131.08566	17.9
133.06497	5.4
133.10144	65.6
135.08054	8.3
135.11703	60.7
135.12730	3.3
137.05954	2.3
137.09630	5.2
139.07538	4.9
141.06940	2.2
142.07759	1.9
143.08575	13.2
145.06508	6.5
145.10139	12.8
147.08067	2.9
147.11713	7.0
149.09630	5.0
149.13283	7.4
151.11176	16.2
153.09019	2.0
153.12770	2.7
157.10168	6.1
159.08086	2.3
159.11705	3.8
161.09642	28.3
163.11227	13.8
164.22646	1.8
165.12762	3.4
167.10692	2.5
169.10135	2.6
171.08054	7.0
171.68564	1.7
175.11183	7.0
179.10678	20.2
181.12189	10.9
183.11609	2.6
189.09117	17.6
193.12263	8.0
195.13861	2.6
197.11792	7.1
199.13257	2.5
199.14955	2.4
207.10176	9.3
211.13252	3.9
216.52849	2.1
225.11209	30.1
227.12778	6.5
229.78909	1.8
243.12311	5.9
254.03470	2.0
267.15878	3.8
269.17563	4.2
281.13864	10.1
293.17377	2.0
343.22592	3.9
351.23303	6.1
357.88165	2.0
360.42380	2.1
369.24271	6.5
370.50742	1.8
387.25192	6.6
435.27264	2.9
443.27945	2.1
461.28839	13.4
479.25711	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	479.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05514	8.9
56.05036	5.9
57.03419	1.6
58.06604	2.3
60.04531	2.3
65.03899	1.0
66.93473	0.8
67.05501	2.6
69.03420	3.6
69.07057	2.5
70.06592	7.0
71.04984	1.1
71.50338	1.0
71.50761	1.0
72.08154	100.0
72.83956	0.9
73.02895	1.4
74.05669	1.9
74.06077	30.0
79.05470	2.5
81.03397	2.7
81.07043	4.7
82.38217	0.9
83.08578	1.0
84.04480	2.1
84.08129	3.7
85.02912	6.3
86.06065	3.0
86.09702	13.2
87.04441	0.9
91.05474	3.6
93.07052	2.5
95.04964	1.5
95.08605	2.1
97.02883	2.1
101.07130	1.9
103.05493	1.0
106.26994	0.8
107.04934	1.5
107.08570	1.9
109.02892	2.1
109.10122	1.6
110.07133	0.9
113.39836	0.9
114.05527	3.2
119.04944	1.3
119.08548	1.5
120.08102	25.3
121.10140	2.1
123.04409	3.0
123.11674	1.1
127.03911	2.6
128.06267	1.2
128.10680	2.5
129.10243	2.1
130.06535	1.6
130.69508	0.9
133.02829	1.1
133.06465	1.0
135.01125	0.9
135.11667	1.1
136.07552	3.3
137.02373	1.5
137.05966	2.5
138.09161	2.5
145.04921	1.2
151.03871	1.6
151.07503	1.0
152.03752	1.4
153.01787	3.1
160.37607	1.1
161.05911	1.2
163.03870	1.5
164.07080	1.7
166.08627	14.0
173.12849	4.5
177.05457	2.2
183.11340	2.0
185.12895	1.9
186.09143	1.4
189.05589	1.1
201.12361	6.5
213.12352	19.9
217.04912	2.4
221.05930	3.1
221.12894	2.0
226.57033	0.9
229.05005	1.7
231.11194	1.1
239.06905	2.7
249.12317	2.8
250.03015	1.1
257.04517	1.0
264.48734	1.0
267.13437	25.0
268.16632	1.8
274.04706	2.6
277.11914	1.1
285.03973	1.9
285.12341	1.7
286.17517	1.7
296.15891	2.0
297.11148	1.3
302.04202	7.2
314.17163	4.7
317.06561	46.5
327.15915	1.8
348.19144	3.7
371.13840	1.1
456.80420	1.1
461.24011	1.9
479.14038	1.3
479.20190	2.0
493.29449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05511	2.7
56.05024	1.3
57.03443	1.1
60.26556	0.9
63.67769	1.0
67.05494	2.5
69.03429	2.3
69.07062	3.8
69.21883	0.9
69.28043	9.2
70.06595	51.0
71.04981	1.1
71.06924	2.1
72.08154	10.1
79.05496	2.5
81.03416	3.2
81.07079	3.2
84.04500	2.0
84.08144	15.1
85.02893	3.4
85.06564	1.9
85.08485	1.1
86.06067	2.3
86.09705	32.4
87.05598	2.5
91.05473	3.4
93.07037	3.1
95.04949	1.9
95.06091	1.1
95.08615	1.3
97.06560	0.9
97.07651	1.0
98.20796	1.7
105.07035	3.5
107.04961	1.6
107.08607	2.4
109.02882	3.0
109.10175	2.2
110.07214	1.4
112.08723	5.3
113.07145	1.0
114.05550	2.1
114.10310	1.2
115.08723	2.1
119.04929	2.3
119.08588	2.9
120.08103	10.2
121.10094	2.3
123.04421	8.8
123.08060	1.6
123.11777	1.2
124.11178	1.1
125.02353	1.1
127.03918	2.4
128.10706	1.3
129.10265	8.3
130.06519	1.4
131.08588	1.9
133.10136	2.0
135.04462	1.0
135.11687	1.9
136.07549	1.5
137.02336	1.8
137.05963	6.2
138.12766	1.2
140.16678	1.0
145.10146	1.8
147.04425	4.3
151.03891	8.0
151.07550	3.0
159.11710	2.7
161.05986	2.4
163.03928	3.1
173.12895	1.9
177.16403	1.7
183.11369	1.7
183.15015	4.2
185.16426	0.9
189.05630	1.2
189.09143	1.2
195.10246	1.5
195.17549	1.5
201.12436	1.7
213.18564	2.9
217.05011	1.2
227.07198	2.4
241.08635	1.5
242.17421	1.7
243.10286	1.5
245.18562	1.4
253.08662	3.2
265.08911	1.8
267.10245	2.3
268.11118	1.2
274.04819	1.5
279.10294	2.1
279.17032	2.1
290.70007	1.5
291.70847	5.9
292.21011	2.6
295.13446	1.6
297.11237	1.7
298.71799	1.3
302.04367	2.6
302.62030	1.0
309.14923	1.3
315.15991	8.9
316.40381	1.0
317.06479	6.2
327.15918	100.0
328.16559	4.7
339.15970	1.7
340.23520	2.1
341.17569	1.5
357.17038	5.8
396.77795	2.8
397.27942	1.4
398.25018	1.7
435.19788	2.3
461.12149	1.4
479.20612	93.4
480.20779	3.3
501.31317	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05503	3.4
57.03432	1.9
67.05512	6.0
69.03430	2.8
69.07068	2.3
70.06599	6.4
70.47908	3.1
71.04996	2.0
72.08160	1.3
78.70325	0.9
79.05493	4.0
81.03423	3.7
81.07069	6.6
83.04961	1.4
83.08616	2.2
84.04464	1.1
84.08121	2.7
85.02919	1.9
85.87891	0.9
86.09698	3.3
89.06039	1.2
91.05490	6.2
93.07051	4.5
95.04956	2.2
95.08601	3.4
97.10193	1.7
98.21078	1.4
105.07044	5.4
107.04966	2.1
107.08611	3.2
109.02900	1.7
109.06520	2.1
109.10178	3.5
111.04475	1.4
112.08762	1.1
117.07063	1.6
119.08574	3.2
120.08133	1.6
120.08956	1.0
121.06557	1.4
121.10138	2.7
123.04406	2.6
123.11732	1.3
125.09599	1.3
127.03890	1.0
129.10153	1.0
131.08577	2.3
133.10103	1.8
135.04379	1.0
135.08099	1.9
136.07593	1.2
137.02371	1.0
137.05984	2.2
137.09631	1.6
143.08578	1.1
145.10150	2.0
147.11624	1.4
149.09639	2.3
151.07610	2.4
153.09155	1.0
161.06120	1.0
161.09712	1.2
163.11252	1.2
165.09102	9.0
173.09648	1.4
175.66847	1.2
179.10677	0.9
193.12236	1.1
203.03487	1.1
203.05286	2.2
207.06598	1.1
213.12598	1.0
217.04907	1.4
219.13794	1.1
231.13716	1.2
245.06343	5.7
271.04245	1.4
287.03802	2.8
289.05304	60.1
317.13580	1.3
345.11490	1.2
435.19983	6.6
479.18930	100.0
480.19238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.78431	0.2
55.05507	0.3
56.05037	0.2
57.03416	0.3
67.05499	0.4
67.57803	0.2
69.03413	0.5
69.07059	0.4
70.06590	1.5
71.04976	0.8
71.50027	0.3
72.08144	0.9
76.68069	0.2
81.03402	0.2
81.07036	0.4
84.04507	0.4
84.08137	1.0
85.02910	1.2
85.06524	0.4
86.09711	2.4
88.03970	0.2
89.46345	0.2
91.05463	0.5
93.07036	0.6
95.08604	0.6
95.19837	0.2
97.02881	0.3
97.06509	0.3
105.06989	0.2
107.04952	0.4
107.08517	0.3
109.02878	0.3
109.10180	0.2
110.07153	0.2
110.79134	0.2
120.08096	1.4
121.10078	0.3
123.04456	0.4
127.03915	0.3
129.10196	0.5
133.10210	0.2
136.07574	1.0
137.02319	0.3
137.05943	0.6
147.04433	0.5
153.01880	0.4
157.07587	0.3
163.07484	0.2
164.07068	0.9
165.05453	0.8
175.03929	0.2
177.05354	0.3
182.08220	0.2
215.10350	0.3
217.04836	0.3
228.04068	0.3
273.03998	0.4
274.04706	19.4
295.05981	0.9
302.04193	31.9
303.04507	0.5
317.06534	100.0
318.06955	1.2
318.10324	0.2
350.90924	0.2
471.29282	0.3
479.11996	0.4
479.24368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01876	1.8
55.05516	6.6
56.05038	7.4
57.03439	3.0
57.07100	1.4
58.02962	1.0
58.06612	1.2
60.04528	98.7
61.02929	2.5
65.03949	0.7
67.05505	12.9
68.05042	0.8
69.03432	8.9
69.07072	6.9
69.84398	2.9
70.06606	1.4
70.35188	0.6
71.04989	1.7
71.08628	0.8
72.04518	4.9
73.02930	1.9
74.06086	6.8
76.96744	0.7
79.05499	6.8
80.05038	1.3
81.03423	5.5
81.07052	11.8
82.06590	1.1
83.04992	1.5
83.08621	5.9
84.04506	5.4
85.02907	16.1
85.03382	1.1
86.06069	4.5
87.04485	1.6
88.63942	0.6
90.05570	2.1
90.24704	0.6
91.05502	5.3
92.05799	0.7
93.07045	7.3
94.06590	1.9
94.07389	1.1
94.86196	0.6
95.04990	2.0
95.08611	11.8
95.09184	1.2
96.04480	1.2
96.08150	1.1
97.02905	6.9
97.06525	1.1
97.10187	2.8
98.06057	2.0
98.20827	1.0
99.04464	2.1
102.05550	6.1
102.43517	0.8
104.07133	3.4
105.07026	3.9
107.04996	1.1
107.08588	4.6
108.08937	0.7
109.02897	2.1
109.06602	0.8
109.10150	3.6
110.06042	1.2
111.08042	0.7
112.07627	1.1
116.07101	0.8
117.07047	0.7
119.08604	2.7
121.06571	0.7
121.10181	3.0
123.11752	1.5
127.03961	3.6
129.07013	0.7
130.15387	0.7
131.08571	1.0
133.10135	2.0
135.11713	2.9
136.12125	0.8
144.92632	0.6
145.04973	1.7
145.10178	0.8
147.11769	1.2
149.13281	1.5
163.11227	1.2
172.48769	0.7
176.13263	0.7
186.07596	1.0
188.09236	1.2
194.04631	0.6
204.08655	1.4
206.10217	3.5
224.11327	7.7
227.12871	3.0
228.13202	2.3
250.25447	1.7
262.25388	2.4
268.26361	1.0
280.26370	10.3
298.27393	14.4
316.28470	100.0
322.27475	1.2
340.28458	1.9
358.29587	5.9
362.86536	0.7
368.23312	0.8
386.24109	1.1
424.30844	1.3
442.31750	2.8
460.27155	1.1
460.32712	4.2
478.33850	49.9
479.34091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.1
55.01820	1.5
55.05455	5.3
56.04974	4.3
57.03372	2.6
57.07023	1.6
58.06571	1.2
58.29280	0.7
60.04463	70.4
60.04798	6.6
60.04946	2.7
61.02860	2.2
67.04178	0.7
67.05437	8.1
68.04974	1.5
69.03360	5.6
69.06999	5.5
69.84397	2.7
69.84816	1.4
70.06548	1.3
71.04945	1.4
71.35880	0.7
72.04449	3.4
73.02849	1.3
74.06085	4.4
79.05497	5.5
80.04975	1.1
80.05762	1.0
81.03416	4.3
81.07056	11.0
82.06529	1.6
83.04926	2.1
83.08552	2.5
84.04432	3.3
85.02911	14.0
85.79660	0.8
86.06008	2.7
87.04393	1.2
90.05525	1.9
91.03904	0.9
91.05473	4.1
92.05722	0.7
93.07049	5.2
95.04920	1.2
95.08609	8.4
97.02915	5.4
97.06475	0.9
97.10101	3.1
98.05989	1.2
99.04408	1.4
100.07561	0.8
102.05542	5.7
104.07014	2.4
105.06938	2.7
107.08501	3.5
109.02791	2.4
109.06458	0.8
109.10093	3.4
114.05493	0.9
116.07027	1.2
119.08488	3.3
119.09300	0.8
121.10092	1.9
123.07987	0.8
123.11652	1.2
125.09557	0.9
127.03843	2.6
131.08554	0.9
133.10101	1.4
135.11635	1.5
145.04892	1.7
145.10057	0.9
147.11623	1.1
150.13533	0.8
163.11028	0.8
181.94180	0.8
188.09196	1.1
206.10176	2.2
224.11266	5.4
227.12633	1.2
235.12546	0.8
250.25246	1.4
262.25226	1.1
280.26358	8.9
298.27414	11.0
304.44977	0.7
316.28470	100.0
317.28851	1.4
340.27997	0.8
358.29520	3.9
368.22867	1.6
386.24292	1.7
442.31750	2.7
460.27356	1.3
460.32965	4.8
478.33911	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	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.86691	0.9
53.03928	1.7
53.95939	0.8
55.01871	1.5
55.05513	14.0
57.03423	4.4
57.07069	2.2
57.21843	1.1
62.06091	30.6
63.66639	1.0
64.55344	0.9
67.05507	34.0
69.07071	17.2
70.80097	1.1
70.80444	2.5
71.04968	1.4
71.08616	1.3
74.90083	1.1
79.05499	10.0
81.03419	1.1
81.06597	1.9
81.07056	30.8
82.06462	1.0
83.08621	9.0
84.08120	1.2
91.05472	5.5
93.07054	8.6
95.08607	24.8
97.06540	1.7
97.10154	3.8
98.06039	4.8
98.98463	10.8
99.08093	1.1
105.07012	4.4
107.08608	6.6
109.10161	8.5
117.07021	1.4
119.08564	3.0
121.10123	4.8
123.11689	3.6
124.01575	1.9
127.51143	0.9
133.10114	3.7
135.11679	2.5
137.13269	1.3
142.02690	2.1
147.11699	1.9
149.13242	3.5
155.01036	7.1
156.52193	1.1
161.13210	1.4
164.08334	1.5
165.09097	4.0
165.16376	1.0
173.02032	1.8
175.14713	1.3
198.05240	1.0
216.06300	2.5
222.62164	0.9
245.22820	2.2
259.31964	1.0
263.23721	5.6
298.85718	1.0
306.27917	42.2
330.77002	1.0
337.27374	100.0
338.27606	2.4
417.24515	1.0
442.34323	1.7
460.28076	3.8
460.34711	1.5
478.29272	2.1
486.59030	1.0
498.88705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85358	2.7
51.15859	2.3
53.03934	4.6
55.01874	5.6
55.05513	19.2
56.05840	2.7
57.03437	16.4
60.04535	3.5
67.05511	23.0
68.05833	2.9
69.03425	7.7
69.07070	8.4
69.52261	17.3
70.06578	14.5
71.04994	85.1
73.02899	4.9
75.04471	5.4
79.05491	22.9
80.05824	4.8
81.03403	7.8
81.07050	30.3
82.07388	4.6
83.04999	13.9
83.08640	6.6
84.08154	5.6
84.44944	2.6
85.02905	100.0
85.06540	4.2
86.09694	8.3
91.05477	29.8
92.05833	5.1
93.06484	4.6
93.07048	59.9
94.07393	4.8
95.04961	10.9
95.08598	16.8
96.09068	2.2
97.02876	8.2
97.06551	2.7
97.10190	8.4
98.10495	2.7
99.04444	3.0
103.05472	3.0
105.07038	15.0
106.07358	3.6
107.04953	6.9
107.08603	58.5
108.08904	4.7
109.02919	4.1
109.06532	9.0
109.10160	8.8
110.10493	4.2
111.04432	6.1
117.06929	2.8
119.08585	8.2
120.08107	3.1
120.08945	3.4
121.06526	7.6
121.10146	15.6
122.82778	2.6
123.04438	3.0
123.08091	5.5
125.09627	7.7
127.03932	5.5
129.05479	36.1
131.08568	6.2
133.06497	2.8
133.10126	9.2
135.11682	22.0
137.09650	2.9
141.06885	2.9
145.04932	3.2
145.10112	4.2
147.06534	14.8
147.07585	2.8
147.11703	6.1
149.09637	8.2
149.13243	5.9
157.10091	3.3
159.11792	4.2
163.11194	4.2
164.09148	5.6
165.09163	3.3
176.14296	6.6
177.16364	3.4
178.83366	2.9
181.68015	2.9
193.12296	3.4
194.12631	3.0
273.29886	2.7
276.20505	5.1
294.21423	11.5
319.10443	2.9
350.21786	4.0
368.22693	5.8
379.08902	3.1
386.23779	14.0
442.26688	3.0
460.27734	10.2
478.29111	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03941	1.1
55.05274	0.9
55.05516	10.8
55.72382	0.5
57.03439	6.9
57.07071	1.5
62.36245	0.6
64.39084	0.6
67.05505	23.6
69.07071	15.0
69.88885	1.1
69.89308	2.6
71.05031	0.7
79.05495	7.5
81.06602	1.3
81.07058	24.6
83.04961	0.8
83.08620	7.0
85.06511	0.9
91.05483	5.2
93.07047	5.9
95.08604	18.7
97.06522	1.8
97.10168	3.1
98.21450	0.8
103.38934	0.7
105.07010	2.4
107.08575	2.7
109.10167	6.0
111.08065	0.7
119.08559	2.2
121.10165	3.1
123.11698	2.5
133.10136	1.9
135.11714	1.5
137.13237	1.0
147.11664	1.5
149.13275	0.7
161.13206	1.2
175.14819	1.1
263.23663	1.0
306.27859	4.0
337.27368	100.0
338.27670	2.7
469.64172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.01868	2.0
55.05512	7.0
57.03443	12.5
59.05001	1.3
61.02929	1.9
65.03938	2.2
67.05519	7.6
69.03423	6.6
69.07063	6.4
69.35480	8.7
69.35889	2.5
70.06608	9.1
71.04995	70.8
72.08160	2.5
73.02908	4.6
75.04490	3.8
79.05492	17.1
81.03412	4.3
81.07069	10.4
82.07404	1.6
83.04988	9.1
83.08582	1.5
84.04505	1.8
84.08157	2.4
85.02910	100.0
86.09688	2.8
86.25212	1.2
87.04483	4.9
91.05484	28.8
93.07048	81.7
94.43980	1.2
95.04964	6.9
95.08606	5.2
97.02893	6.3
97.10207	1.5
98.21584	2.3
99.04453	2.6
103.03928	1.7
105.07030	11.9
106.07359	1.6
107.04953	2.8
107.08597	85.2
109.02899	1.7
109.06516	3.7
109.10143	2.9
111.04449	4.2
115.03929	3.6
117.07021	1.7
119.08578	5.5
120.08118	2.1
121.06521	2.5
121.10143	10.2
122.06049	1.6
123.11700	2.6
127.03940	4.6
129.05489	39.9
129.06985	2.4
129.10262	2.4
131.08557	3.4
133.04970	2.6
133.10139	2.2
135.04405	1.9
135.08014	2.8
135.11697	27.4
136.07556	3.3
145.04947	4.6
145.10097	2.7
146.08101	2.1
147.06551	18.9
147.07819	2.1
147.11671	2.6
149.09622	2.6
149.13235	7.3
163.11099	2.3
164.09186	7.2
165.09189	1.9
169.10074	1.7
173.09547	1.5
173.76712	1.3
192.46631	1.2
193.12254	1.5
197.88985	1.3
199.14806	1.6
217.12248	1.8
227.29616	1.4
230.18282	1.4
258.72430	1.5
294.21375	1.8
368.23013	4.0
460.27722	5.3
460.34375	1.5
478.29099	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	478.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15584	0.3
56.26686	0.3
57.03435	0.4
65.03946	0.5
67.05493	1.1
68.04998	0.3
69.03427	2.0
69.07061	1.1
69.84201	0.6
69.84550	1.6
70.06590	0.7
71.04991	0.7
79.05481	1.0
80.05016	0.4
81.03418	1.7
81.07050	1.3
82.06573	1.4
84.08146	0.7
85.02902	2.0
85.06545	0.4
86.71475	0.4
87.00826	1.0
91.05482	1.0
93.07050	1.2
94.06579	3.2
95.04969	1.7
95.08589	1.0
96.08123	1.1
97.02864	0.9
99.04454	0.5
99.49135	0.3
105.07030	0.9
106.06544	0.5
107.08585	1.2
108.08141	1.8
109.02876	1.5
109.06549	1.8
110.06048	3.8
110.09670	0.3
111.04401	0.4
111.06789	0.4
111.08067	1.3
112.07598	0.9
113.05989	1.3
119.07409	0.3
119.08582	0.4
120.08087	1.0
121.06519	1.0
121.10148	0.5
122.06038	8.6
122.06909	0.6
122.09664	1.2
123.04388	0.4
123.08051	0.4
124.07596	3.8
126.09161	0.4
127.03922	1.3
129.10240	0.4
131.08543	1.0
132.08073	0.6
133.08847	0.7
133.10106	0.4
134.09692	1.9
135.08044	1.3
136.07603	2.8
136.11211	1.3
137.05978	0.6
138.05533	0.7
138.09148	3.7
139.07561	2.8
140.05969	0.6
140.07066	12.8
142.08617	0.8
144.08154	0.7
146.09676	0.7
148.07600	0.7
148.11217	2.9
149.09590	2.7
150.09145	1.6
152.07050	1.1
154.08635	20.7
156.10204	1.0
158.09657	0.5
159.08080	0.4
161.08347	0.7
166.12299	5.0
167.10677	2.5
168.10254	1.5
176.10698	3.2
177.09111	1.1
182.08075	0.4
184.09637	0.5
186.09196	0.3
194.11769	13.0
195.10173	0.8
196.09616	0.4
212.12810	6.2
229.37402	0.3
230.13881	100.0
231.14197	1.1
236.12790	0.5
254.13919	1.5
272.14917	1.2
296.14932	1.0
320.15018	1.6
338.15967	1.1
365.49332	0.3
445.15823	0.4
460.17859	0.5
478.19037	1.8
497.31830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
60.04503	0.5
61.02934	0.6
64.86978	0.5
67.05496	2.2
68.99797	0.5
69.03420	2.5
69.07056	1.2
69.22568	1.8
69.22989	2.7
69.72939	0.4
70.06580	2.3
71.04981	0.9
77.71368	0.5
77.99400	0.5
79.05493	1.2
79.47078	0.4
81.03413	2.0
81.07037	1.4
82.06576	1.4
84.04473	0.6
84.08150	0.8
84.11260	0.5
85.02913	3.8
85.04492	0.5
86.09690	1.4
86.77454	0.5
87.00830	0.7
89.06041	0.7
91.05531	1.2
93.07030	1.2
94.06583	3.8
95.04971	2.2
95.08605	0.8
96.08144	0.7
97.02867	0.7
97.06533	0.6
98.06037	0.6
99.59032	0.5
105.07026	0.9
106.06519	0.8
107.08590	1.5
108.08105	1.5
109.02896	2.7
109.06501	2.2
110.06049	3.9
111.06826	0.6
111.08064	1.3
113.05984	1.2
119.08585	0.6
120.08098	2.1
121.02786	0.6
121.06499	1.2
121.10110	0.7
122.06036	7.9
122.09665	1.1
123.04524	0.6
123.06767	0.6
123.08030	0.6
124.07575	3.6
126.09151	0.7
126.43431	0.5
127.03909	1.0
130.06572	0.9
131.08589	1.6
133.08743	0.7
133.09976	0.5
134.09698	1.2
135.08051	1.6
136.07584	3.8
136.11203	1.2
137.05991	0.7
138.09142	3.8
139.07542	2.0
140.07076	12.1
142.08640	0.9
146.09666	0.9
147.04434	0.6
148.07573	0.6
148.11198	3.5
149.09645	3.1
150.09152	2.0
152.07053	1.3
154.08633	22.1
156.10159	0.9
166.08745	0.5
166.12282	5.4
167.10670	2.3
168.10175	1.8
175.08662	0.7
176.10725	3.9
177.09146	1.5
194.11777	13.0
195.10225	1.1
212.12807	6.5
220.09709	0.6
230.13878	100.0
231.14203	1.2
254.13940	1.0
259.11237	0.5
272.14963	1.3
296.14911	0.8
320.15076	0.9
392.19025	1.1
478.19550	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	477.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.0
57.07072	12.4
59.04991	3.0
65.03948	2.0
67.05506	35.6
69.07075	27.6
69.51031	3.7
69.51435	14.5
71.04986	17.5
71.08620	4.7
72.52468	2.2
79.05495	24.5
81.07058	86.5
83.08619	12.5
85.06536	3.8
85.10181	3.5
91.05485	27.1
93.07047	75.7
95.04968	5.4
95.08611	100.0
97.10184	11.0
99.04485	1.9
105.07029	59.0
107.08604	63.6
109.06516	8.6
109.10158	55.2
109.66853	2.0
111.08095	12.1
111.11729	5.7
113.09667	4.2
117.07015	6.6
119.08587	71.5
121.10149	55.6
123.08064	3.6
123.11721	27.3
125.06002	3.7
127.07542	3.3
129.07019	3.3
131.08562	16.8
133.10138	37.3
135.11693	35.1
137.05949	2.7
137.09612	7.6
137.13254	8.9
139.07562	8.0
139.11159	2.1
143.08591	6.4
145.10127	31.9
147.11687	35.7
149.09679	3.8
149.13248	40.4
151.07547	3.4
151.11230	2.8
151.14806	3.7
157.10135	10.8
159.11708	34.0
161.13257	37.2
163.14812	25.7
163.16109	2.5
169.10196	2.4
171.11688	12.8
171.78999	2.3
173.13283	24.2
175.11157	2.8
175.14835	18.9
177.12781	4.3
177.16399	10.2
185.13295	4.4
187.14809	18.2
189.16356	15.3
191.14252	2.2
191.17992	4.5
197.13303	3.1
199.14838	9.0
201.16399	15.2
203.18022	18.4
205.15858	3.6
213.16420	8.9
215.17947	12.6
217.19559	26.7
217.63670	2.0
227.17941	8.5
228.24809	2.1
229.19479	9.2
231.20932	5.9
237.16631	2.2
241.19638	4.4
243.21107	5.4
255.21144	5.9
257.22687	9.7
259.24246	3.8
269.22586	2.6
271.24271	3.4
273.69052	2.1
283.24274	4.7
285.25818	6.5
295.24188	2.8
297.25671	4.7
299.27283	2.9
311.27652	2.8
323.27499	2.1
325.29022	5.4
327.30563	7.1
351.30511	3.1
367.29907	3.9
381.31616	3.3
419.36719	9.9
445.36935	7.5
459.40271	11.0
477.40869	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	477.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84014	1.2
53.96996	1.1
55.05502	4.8
57.07066	2.2
58.14575	1.1
65.03940	1.7
67.05513	12.2
69.03455	1.3
69.07057	5.1
70.80045	3.0
70.80360	1.4
71.04980	7.4
79.05499	11.4
81.07051	21.3
83.04961	2.1
83.08627	3.5
91.05467	8.5
93.07047	23.5
95.04906	2.9
95.08608	30.5
97.10148	2.1
105.07034	14.3
107.08598	15.8
109.06498	3.5
109.10162	17.0
111.04401	1.9
111.08075	6.8
117.06992	2.7
119.08601	14.5
121.06545	1.4
121.10164	12.2
123.08089	10.3
123.11709	4.4
129.06953	2.5
131.08556	6.4
133.10130	7.5
135.08041	5.2
135.11693	8.5
137.05951	2.3
137.09621	4.1
143.08569	3.5
145.10133	9.5
147.11684	7.7
149.09601	2.2
149.13266	4.3
151.07547	100.0
157.10112	5.2
159.08075	1.7
159.11714	8.4
161.09563	1.8
161.13271	4.2
163.11145	1.6
163.14796	4.2
165.09093	11.6
171.11736	3.0
173.09642	2.1
173.13264	4.3
175.07576	5.4
175.14822	2.4
176.08365	1.4
177.09138	9.7
177.12761	1.5
177.16386	2.6
179.10675	2.4
185.13219	1.5
187.14868	2.8
188.08315	4.7
189.09114	22.7
189.12708	1.5
191.10683	17.7
199.14714	2.9
201.09138	5.4
201.16428	1.5
202.09850	2.7
203.10675	24.8
205.12209	8.1
211.14763	1.4
213.09003	1.5
214.09917	1.4
215.10699	10.3
217.12294	9.7
219.13788	1.6
226.09969	1.9
227.10608	2.5
228.11447	1.3
229.12350	6.3
229.19597	1.4
231.13794	4.3
239.10727	1.7
239.14381	2.4
241.12183	2.6
242.13071	1.8
243.13857	3.7
255.13716	2.3
257.15433	6.9
259.16803	6.0
269.15408	2.1
271.16977	5.4
271.20926	1.3
283.16971	1.6
285.18484	5.6
297.18570	3.7
311.20081	1.4
325.21561	2.7
327.23206	1.9
327.26712	1.7
337.21481	1.6
393.27686	1.7
419.29315	2.8
427.35718	1.4
459.32635	3.1
477.33664	38.5
478.34293	2.1
496.66452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48000	1.6
53.03934	5.4
55.01878	10.0
55.05515	56.0
57.03425	7.4
57.16421	2.2
65.03942	2.4
67.05508	51.6
68.47672	1.7
69.03403	7.3
69.07061	12.5
71.04983	3.6
79.05078	3.6
79.05498	52.3
81.03429	18.3
81.07053	45.4
83.04977	8.2
83.08620	28.1
85.06521	3.2
91.05481	37.8
93.06486	3.0
93.07044	36.0
95.04968	17.8
95.08613	18.0
97.06520	8.5
97.10175	50.4
98.20611	3.4
98.65425	1.8
103.05434	3.5
105.04496	2.2
105.07026	27.1
107.04964	29.9
107.08588	30.9
107.46661	1.9
109.06483	8.4
109.10161	14.0
111.04436	2.0
111.08089	5.7
115.05436	3.1
117.07040	16.7
119.04982	2.6
119.05905	2.0
119.08575	16.9
121.06500	23.1
121.10124	10.7
123.04401	2.7
123.08077	11.1
123.11737	2.3
124.66514	1.9
125.05990	3.9
125.08766	3.6
125.09628	38.2
128.06239	2.2
129.06989	14.0
131.04900	6.0
131.08575	19.5
133.06479	10.2
133.10144	11.3
135.08032	8.7
135.11658	3.6
137.09550	2.2
141.06972	3.9
143.08539	7.7
145.06451	17.1
145.10149	11.6
147.04419	3.9
147.08049	12.8
147.11682	8.7
149.09612	7.7
151.11151	3.2
153.09102	9.0
153.12689	3.4
155.08589	9.1
157.06430	3.7
157.10164	11.5
157.68135	1.9
159.08037	8.0
159.11636	6.1
161.05980	3.7
161.09618	6.1
163.11185	6.7
165.09061	2.9
165.12735	4.6
167.08589	2.6
169.10107	5.1
171.08067	6.1
171.10149	5.7
171.11685	5.4
173.09637	5.4
173.13284	4.5
175.11180	7.3
177.12753	3.2
181.10106	4.4
183.11722	3.9
185.09607	4.6
185.13293	2.0
187.11201	5.1
187.14790	2.6
189.11243	19.6
189.12743	4.0
193.12236	17.0
195.11780	3.5
197.09689	3.9
197.13298	3.8
199.11189	5.2
205.12230	4.8
211.13260	3.0
213.12698	4.0
215.14345	7.2
217.12227	5.4
223.13286	4.8
227.12703	5.7
231.13747	2.3
233.15321	10.2
235.13263	2.2
239.14224	2.8
241.14275	5.0
245.15462	4.0
249.14937	2.4
255.13795	4.7
259.13379	2.5
267.15891	3.3
273.14801	13.1
275.16345	2.0
276.66354	2.0
291.16022	3.4
299.16342	2.5
339.23187	7.3
349.21628	20.2
357.24304	10.2
367.22668	52.6
385.23746	100.0
403.24829	23.7
441.26300	8.7
459.27420	54.6
459.33810	2.8
460.27667	2.3
477.22186	3.3
477.28497	48.6
478.28802	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	477.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.9
53.00296	2.4
53.03936	3.9
54.36615	0.8
55.01874	5.8
55.05242	1.1
55.05510	22.8
57.03421	3.4
57.07085	1.4
57.56381	0.9
59.04988	2.1
65.03929	2.6
65.72870	0.8
67.05505	43.1
69.03412	3.2
69.07069	7.5
70.06560	1.3
71.04983	3.3
75.12497	0.8
79.05489	29.1
81.03425	9.6
81.07054	36.0
83.04983	6.5
83.08624	11.0
85.02916	1.5
85.06529	3.0
85.86915	0.9
91.05479	98.4
93.07041	28.3
95.04961	16.5
95.08598	11.5
97.02901	2.5
97.06528	3.7
97.10172	8.2
99.00822	8.7
99.08118	1.1
103.05457	2.1
105.04523	1.2
105.07030	51.4
107.04946	8.7
107.08585	15.2
109.02862	4.7
109.06512	6.5
109.10156	7.0
111.04431	2.3
111.08066	4.2
113.05955	1.0
115.03932	1.4
115.05476	1.9
117.07024	9.4
119.04967	1.2
119.08575	14.2
121.06511	7.3
121.10152	7.0
122.09508	0.9
123.04456	2.1
123.08077	3.6
123.11698	3.5
125.09633	5.7
127.03876	0.9
128.06197	4.8
129.06989	5.3
131.04915	1.3
131.08569	12.4
133.06487	3.8
133.10129	100.0
135.08049	3.2
135.11690	5.2
137.05952	2.2
137.09604	2.3
141.07030	1.9
142.07785	1.3
143.08557	9.7
145.06506	4.0
145.10168	6.0
147.04346	1.7
147.08032	3.9
147.11711	4.8
149.09615	3.3
149.13263	2.3
151.11153	11.1
153.09097	2.6
155.08562	2.1
157.06497	1.0
157.10144	3.6
159.08046	1.8
159.11688	2.5
161.09616	23.6
163.11145	4.7
165.09117	1.5
165.12691	1.1
169.10124	1.9
171.08017	3.5
171.10216	1.2
171.11681	2.6
173.09604	1.9
173.13274	1.1
175.11183	3.1
178.46216	1.1
179.10689	6.8
181.12234	1.9
183.11679	1.3
187.11179	1.4
187.14825	1.0
189.09102	6.4
189.11169	3.3
189.12770	1.6
189.61656	0.9
191.10625	1.8
193.12192	5.0
195.11723	1.7
197.11723	5.5
197.13330	1.5
199.11218	1.3
207.10199	2.1
209.11659	1.8
215.14238	1.4
217.12262	1.3
219.13853	1.0
223.13254	1.5
225.11160	6.3
227.12741	3.6
231.13844	1.8
233.15405	3.2
235.13147	1.4
243.12062	1.2
245.15547	0.9
249.14940	1.0
267.15848	1.1
273.14902	1.6
281.13745	2.1
339.23169	2.8
349.21616	3.7
352.86932	0.8
357.24188	2.5
367.22678	8.9
375.25510	1.3
385.23779	18.5
403.24908	6.4
441.26373	2.4
452.92130	0.9
459.27618	16.4
477.24524	20.6
477.28857	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	477.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14739	4.8
55.01862	15.1
55.05273	5.0
55.05514	70.9
57.03433	13.4
59.04993	4.9
60.04510	4.4
62.68899	4.0
65.03957	5.7
67.05505	81.9
68.64841	3.7
69.03422	18.5
69.07056	29.5
70.06593	21.1
71.04985	12.5
71.50176	6.7
72.08163	4.4
73.02908	4.1
75.03671	3.6
79.05498	71.6
81.03413	44.2
81.07058	78.0
83.04987	29.8
83.08624	45.8
84.08144	9.5
84.74981	3.8
85.02915	25.0
85.06554	20.1
86.09692	11.4
87.00811	9.3
87.04433	6.1
89.06003	5.3
91.05482	71.4
93.07037	46.9
95.04956	41.6
95.08067	4.8
95.08610	46.8
97.02907	5.3
97.06521	12.2
97.10163	37.1
99.04471	5.4
99.08092	5.7
105.07034	48.8
107.04950	25.3
107.08599	54.6
107.64303	3.8
109.02859	12.6
109.06474	14.6
109.10155	65.8
111.04465	6.7
111.08047	12.9
113.06071	4.9
115.05453	5.2
116.57523	4.1
117.07043	21.7
119.04855	4.4
119.08583	33.3
120.08090	4.8
121.06530	23.3
121.10136	26.7
123.04414	7.7
123.08076	15.8
123.11707	22.8
125.09635	38.0
127.03911	13.1
127.11185	17.9
129.06999	24.4
129.10208	5.3
131.04889	4.6
131.08566	34.5
133.06511	11.8
133.10115	23.1
135.08051	18.3
135.11728	25.4
137.05965	7.7
137.09592	10.1
143.08539	6.5
145.06445	13.6
145.10130	16.9
147.04475	5.7
147.08037	11.6
147.11655	18.6
147.12671	4.8
149.09619	15.3
149.13222	11.2
151.07521	5.1
151.11191	8.9
153.09062	8.5
155.08540	6.2
157.10126	15.2
159.11700	7.7
161.09583	5.2
163.07561	5.1
163.11197	7.7
165.09145	15.8
165.12732	5.8
167.10675	5.7
167.14299	13.5
169.10065	7.7
169.12271	25.5
171.08018	9.7
171.11679	10.9
173.09532	7.7
173.13284	5.5
175.11206	9.3
177.05624	5.4
181.10054	4.5
183.07964	4.9
185.15370	14.5
187.11258	5.9
187.14806	4.6
189.11185	18.0
193.12271	22.5
193.15880	5.9
197.13359	6.7
205.12224	5.9
211.16945	64.8
213.12866	6.6
215.14326	8.5
223.13306	4.3
225.12685	5.8
226.48697	4.4
227.12668	9.4
229.17979	100.0
233.15378	14.2
243.13713	4.5
249.14857	5.9
267.15979	9.7
269.67230	4.7
273.14853	15.4
339.23184	6.5
349.21616	19.5
357.24072	7.3
367.22696	44.0
381.48538	4.2
385.23792	77.2
397.09515	4.7
403.24884	20.2
441.25970	8.2
459.27518	65.4
477.28958	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	477.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38692	1.4
53.75523	1.4
55.01875	1.8
55.05510	2.3
57.03440	1.4
58.06603	33.8
61.02918	3.9
63.20365	1.1
67.05505	2.7
69.03425	2.2
69.07082	1.5
70.06577	5.1
71.05003	1.4
71.49043	1.1
71.49422	2.2
72.08167	2.5
73.02908	1.6
79.05499	2.3
81.03415	1.6
81.07049	5.6
83.01319	1.2
84.08160	2.1
85.02928	3.2
86.09703	5.0
91.03957	1.9
91.05486	4.5
93.07044	4.2
95.04976	3.5
95.08618	1.8
97.02874	2.1
100.13775	1.4
103.05461	1.3
105.07064	2.0
107.04957	1.9
107.08613	1.3
109.02872	1.9
109.06536	2.4
109.10179	1.9
110.07156	3.1
111.04507	1.3
111.08086	19.7
117.09222	1.2
119.04955	3.1
123.04436	13.4
123.08109	2.7
125.09633	1.7
129.07048	2.8
129.10303	1.6
129.18121	1.2
129.21567	1.5
130.06528	25.0
132.04478	3.0
135.04402	2.5
137.02332	1.9
137.06015	2.7
143.07309	1.8
144.08075	3.0
147.04457	6.9
147.08081	1.2
149.00827	1.2
149.09669	1.8
151.03938	1.7
151.07578	1.8
156.08113	7.9
157.07648	10.2
158.05997	7.9
163.03957	4.2
165.01784	1.4
165.05515	2.1
165.09161	2.1
167.07274	2.2
168.08145	1.5
170.09656	6.1
175.08650	13.4
182.09743	4.7
184.07597	13.6
186.05685	1.6
189.89577	1.7
191.07320	1.8
195.10176	5.1
196.07640	4.6
196.11217	2.0
203.08180	27.5
206.09673	4.3
208.11203	1.3
210.05498	1.2
210.09146	9.6
211.09627	7.2
213.11423	1.5
221.09241	16.4
224.07097	4.3
224.10745	2.7
226.08704	1.9
234.09122	12.6
237.07916	2.2
238.08600	12.9
239.09218	6.7
245.25807	1.2
252.06607	3.8
252.10182	17.7
257.10196	9.2
262.08658	8.8
263.09509	1.9
264.10315	1.5
265.07477	5.1
266.08087	1.8
280.09692	100.0
281.10034	1.6
299.05576	3.1
301.15390	6.7
315.08813	2.6
325.15414	13.1
432.14453	78.2
433.14935	2.4
459.17661	8.9
477.20184	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	477.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	5.3
68.05019	12.4
69.03428	4.0
69.04565	4.2
69.07061	4.6
70.02931	3.7
70.06590	6.5
71.48519	2.6
71.48972	3.6
72.04523	7.0
72.08154	4.4
74.02447	5.1
80.05064	4.2
81.04519	2.7
83.06107	4.2
84.04510	7.2
84.08144	8.0
85.02905	10.2
85.04028	12.8
86.09707	100.0
94.02926	25.8
95.01324	46.4
95.06104	4.4
96.04482	11.6
97.04016	75.5
98.06083	3.8
99.05567	18.4
100.02197	5.6
106.06545	2.6
107.02414	11.1
108.01183	2.9
109.03989	13.7
110.50553	2.5
111.01956	2.8
111.05566	20.9
113.02354	6.9
113.10775	32.3
114.05518	2.5
118.05097	3.2
121.03996	9.9
122.02338	3.1
123.04549	4.9
123.05560	6.6
124.03918	7.4
125.03484	8.7
125.46828	3.1
126.05570	4.9
126.06609	3.6
127.05022	3.2
132.04422	3.3
132.10214	43.1
134.05994	4.2
135.01898	4.5
135.05548	3.4
137.03468	54.3
139.05034	7.3
140.03377	4.6
140.07149	3.4
141.01811	7.6
141.10226	53.6
142.05051	4.3
143.04539	13.2
147.04408	4.2
147.05536	11.6
149.03479	12.0
149.05984	2.8
150.05559	3.7
151.00819	2.8
151.05022	7.2
152.03452	3.9
152.04565	6.5
161.07135	7.9
161.35468	3.1
162.05519	7.9
163.01385	5.5
163.03864	3.8
163.05052	6.8
164.03342	3.0
165.02991	4.7
165.06621	7.2
167.04559	5.5
168.06656	6.0
170.04509	5.4
173.05707	4.6
174.06697	7.7
175.05060	7.6
175.11932	4.0
177.02914	8.3
177.06659	5.8
178.04921	4.3
180.06613	3.2
181.02417	23.1
183.03949	13.3
187.05038	7.6
187.10765	32.5
189.02989	4.8
191.04562	6.2
193.02422	3.7
193.06073	21.5
195.04001	5.9
202.06116	44.8
203.04538	36.6
203.06467	4.0
204.07744	10.2
205.06114	10.1
206.49950	3.4
209.12834	7.2
211.03632	13.1
211.07141	33.6
213.05101	6.1
220.07162	28.9
221.05614	3.8
222.08708	4.0
229.08206	53.7
231.04030	28.7
238.08151	5.2
249.05125	8.4
255.06081	22.4
255.13411	9.9
267.06232	10.9
268.13000	10.3
273.07068	26.3
280.13022	18.0
285.07037	3.9
291.08203	6.3
291.13373	3.5
298.13956	12.0
298.69955	2.8
299.12405	6.4
315.16946	3.5
316.12845	5.2
349.14938	8.6
355.15027	9.2
361.15097	25.3
362.13440	8.8
379.16208	32.6
380.14413	14.7
397.17181	10.3
398.15610	19.3
400.35852	2.8
415.18259	24.0
460.15652	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.7
57.03416	2.7
62.06092	34.4
67.05503	34.2
68.05076	2.3
69.07047	11.6
70.74603	3.6
70.74919	3.0
79.05493	14.4
81.07056	25.0
83.08604	3.6
85.06531	2.8
91.05480	14.9
93.07047	21.2
95.08627	22.7
97.10229	3.2
98.98474	9.3
105.07058	10.2
105.51996	2.0
107.08584	9.9
109.10137	10.6
117.07000	2.6
119.08549	7.4
121.10155	8.5
123.11737	2.8
131.08566	6.0
133.10173	6.0
135.11679	6.4
135.64165	1.9
145.10094	2.5
147.11722	4.9
149.13274	2.4
155.00957	2.2
159.11725	2.6
161.13289	2.4
173.02150	2.6
173.13289	3.8
216.06216	3.5
243.21223	3.5
251.05814	2.4
254.46602	2.2
261.22214	7.4
272.54321	2.1
304.26364	13.6
335.25800	100.0
361.90543	2.4
458.26959	3.2
476.27509	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	476.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82365	0.6
70.06577	2.3
70.56441	1.6
72.08150	1.2
73.06551	1.7
81.07057	0.9
83.04977	0.6
84.04494	0.8
84.08133	0.8
85.02914	0.9
86.09696	2.2
87.04472	6.9
89.06030	100.0
90.06351	1.1
105.06957	0.7
110.07136	0.8
111.08080	1.1
117.09132	1.4
130.06496	1.1
131.07048	2.9
133.08600	62.2
134.08965	0.7
136.07584	0.8
137.06030	0.6
138.05565	1.0
147.07986	0.6
166.27867	0.6
175.08490	0.9
175.09790	1.4
175.39670	0.6
177.11227	21.1
177.24313	0.6
200.43022	0.6
203.08333	1.0
221.09116	1.1
221.13797	3.5
257.10184	1.2
283.17438	0.8
327.20239	1.3
371.22803	0.9
415.25348	1.6
428.19467	0.7
433.20721	0.9
459.27997	10.5
477.19232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05272	0.9
55.05513	8.6
57.03442	6.9
57.07057	0.5
62.06076	0.6
65.03927	1.4
65.24348	0.4
67.05506	29.3
68.05826	0.5
69.07068	6.1
69.77254	2.2
75.40563	0.5
79.05495	17.7
81.07056	22.7
82.07368	0.7
83.04990	1.0
83.08630	2.5
85.06534	0.6
91.05483	8.2
93.07044	16.8
95.04967	1.4
95.08609	20.5
97.06511	0.8
97.10165	1.5
98.06059	0.5
105.04505	0.7
105.07035	4.1
107.08591	7.9
109.06490	1.1
109.10145	7.3
111.08040	0.9
116.77402	0.5
117.07024	1.1
119.08591	4.2
121.10143	5.4
123.11702	1.7
124.01646	0.5
131.08549	2.3
133.10101	2.2
133.81805	0.6
135.11684	3.6
145.10112	1.4
147.11705	1.0
149.13234	1.3
157.90646	0.5
159.11737	0.5
161.13280	0.7
173.13243	0.9
216.06310	0.9
261.21936	0.9
304.26324	3.3
335.25800	100.0
336.26108	2.1
349.34250	0.6
353.20206	0.5
448.71762	0.5
454.98309	0.5
476.30856	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	476.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.05002	7.3
59.51406	1.1
69.03420	4.5
70.02132	2.1
70.02543	4.5
70.06621	1.9
72.08150	1.1
85.02932	7.7
86.09722	2.2
87.04470	3.0
89.06039	100.0
97.02916	3.2
98.85365	1.2
102.68481	1.0
103.07589	3.2
104.53223	1.3
107.07074	2.1
115.03944	2.5
118.63533	1.3
119.04929	1.4
121.02857	1.2
133.04987	2.7
133.08617	53.1
145.04945	1.3
147.04407	7.5
147.10139	2.9
151.09674	4.1
165.05470	4.1
177.11240	10.6
184.81586	1.1
191.12871	1.4
195.12274	3.5
221.13963	1.5
239.14908	69.1
250.91585	1.2
268.07080	1.6
284.06503	1.1
285.41693	1.4
296.06543	1.3
297.19119	72.4
313.07089	5.8
314.07455	14.9
338.07346	2.3
356.08591	2.5
458.11389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01878	8.2
55.05509	3.8
56.05014	1.9
57.03438	37.3
59.04992	3.1
60.04527	2.3
61.02923	18.5
64.44916	1.8
67.05498	6.2
69.03432	43.7
69.07061	6.5
70.02954	2.3
70.06593	11.4
70.47746	6.2
71.01351	5.0
71.04986	2.7
72.04483	2.3
72.08139	3.8
73.02918	100.0
77.62933	1.6
79.05486	5.0
81.03405	7.0
81.07060	22.0
82.07373	2.0
83.04990	1.8
84.04491	4.4
84.08138	4.0
85.02904	75.5
86.00667	2.7
86.09693	6.0
87.04464	7.4
87.05587	11.3
88.04000	2.9
91.03947	4.5
91.05480	6.4
93.07032	8.1
95.04991	1.7
95.08597	9.2
96.04483	2.4
97.02892	68.3
98.02419	2.1
99.04459	5.2
103.03936	3.0
105.07021	21.0
107.08583	7.4
109.02855	6.5
109.10165	9.3
110.07175	2.3
115.03931	55.8
116.90862	1.5
120.08092	11.7
121.10106	5.0
123.11715	4.1
124.03968	3.0
124.05226	10.7
127.03916	22.9
127.11089	1.7
129.05490	2.3
129.10243	2.6
132.01149	6.6
132.06535	2.9
133.04979	30.3
133.06494	18.2
133.10120	3.1
135.11684	2.8
136.07585	4.1
137.05969	28.0
144.06554	7.0
145.04962	27.1
147.04448	2.3
149.13251	5.4
150.07646	5.4
151.03909	2.4
156.01187	4.4
160.00732	1.9
162.07658	2.7
163.06006	6.5
165.09119	76.5
173.08104	1.9
177.03238	3.0
180.08736	3.6
184.00610	7.7
189.09010	4.2
202.01720	7.6
218.05930	3.6
219.04353	15.5
223.06015	4.1
231.09956	1.7
236.07008	32.5
241.07024	5.4
243.10378	2.7
249.03333	4.8
259.08228	4.2
261.11295	2.6
263.10498	1.7
295.10083	2.7
412.29025	1.9
440.25681	9.0
444.11920	3.2
476.46210	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	476.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29557	8.8
79.05475	3.4
83.13808	0.9
85.02924	1.2
86.09698	1.4
103.05450	2.5
105.07029	100.0
115.01299	0.9
122.09665	43.6
147.04387	1.5
163.03900	2.9
197.20834	1.0
275.07397	2.8
347.13440	2.3
476.17313	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01870	8.0
57.03435	20.1
59.04981	2.2
60.04516	0.8
61.02931	20.1
69.03429	33.6
70.06563	0.9
70.84763	2.1
71.01357	4.2
71.04980	1.6
73.02918	100.0
81.03419	7.0
81.07004	0.7
83.01336	0.9
84.04472	0.9
85.02905	76.3
87.04468	5.5
91.03941	1.8
95.04974	0.9
96.04491	1.4
97.02895	56.9
99.04451	3.6
103.03944	3.6
105.07034	9.1
109.02883	9.5
111.93657	0.7
115.03930	34.6
123.04408	0.8
124.05196	12.1
127.03917	27.4
128.90862	0.7
132.06583	1.3
133.04965	39.8
133.06448	6.6
137.05013	1.3
137.05972	13.4
144.06569	2.1
145.04959	37.6
150.07584	2.7
156.06549	1.5
162.07585	2.1
163.06032	12.0
165.09116	36.0
175.07526	0.9
177.09108	1.4
180.08656	2.1
183.08055	0.9
187.07518	2.9
189.09123	1.5
193.04987	1.6
199.05952	1.7
201.09174	3.8
215.10767	0.8
217.07121	1.0
223.06064	5.1
231.10161	1.5
241.07098	8.1
243.10158	3.3
259.08093	5.8
261.11160	4.2
277.09210	2.4
279.12521	1.2
288.90341	0.8
288.93933	0.8
294.11884	0.9
295.10300	1.7
312.12903	1.0
415.12122	0.8
476.33633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.05508	13.2
57.07080	33.4
57.95876	2.1
62.03784	2.4
67.05505	13.4
67.41629	2.1
69.03435	11.2
69.07077	33.8
71.05743	4.5
71.08632	21.7
79.05486	11.9
79.79340	2.0
80.06204	1.9
81.03416	4.3
81.07062	31.8
81.14273	2.0
83.04997	5.6
83.08616	15.0
85.10181	11.7
91.05478	12.1
93.07051	17.8
95.08609	33.5
96.25697	1.9
97.10168	12.2
99.03453	1.9
105.07020	27.8
107.04378	2.6
107.04971	22.2
107.08606	19.7
109.02880	5.3
109.06516	12.2
109.10150	17.3
111.11732	6.5
117.07025	6.1
119.08592	15.3
121.06509	7.3
121.10142	13.9
123.08066	6.1
123.11729	8.0
124.15724	2.2
125.06078	2.5
125.13202	2.7
128.06235	2.9
129.07016	8.7
131.08617	11.0
131.27168	2.6
133.06461	3.8
133.10133	14.6
135.08069	4.2
135.11707	10.6
137.13277	2.9
143.07039	2.9
143.08572	13.9
144.09282	2.1
145.06506	2.4
145.10097	17.0
147.08069	9.8
147.11699	11.8
149.13272	6.6
151.07547	6.1
155.08571	2.6
157.10152	9.2
159.08015	2.8
159.11671	12.7
161.09613	5.1
161.13275	10.5
169.10124	3.0
171.08054	10.3
171.11694	7.0
173.09727	2.6
173.13260	9.7
175.11220	2.6
175.14893	6.6
183.10178	17.7
183.11739	7.0
185.13313	9.7
187.11180	3.0
189.09148	7.8
189.12732	3.3
191.10626	4.1
197.13239	4.2
199.14861	5.8
201.16434	2.6
203.10667	7.8
205.12250	3.1
208.54921	2.6
213.16499	3.3
217.12254	8.4
221.11746	4.2
225.12750	2.8
225.16513	3.1
227.17973	3.2
229.12186	2.8
233.15504	2.4
243.13980	3.4
251.04692	22.7
257.18799	2.9
267.17422	2.7
271.16907	2.6
285.18448	6.8
299.19946	2.3
301.28912	8.5
307.10950	8.9
325.28781	5.0
327.23169	3.7
341.31857	2.5
343.29968	7.1
363.17169	19.1
369.27432	2.6
383.32993	3.0
397.34567	2.5
399.32620	4.3
407.33154	9.7
415.35837	6.0
417.33667	54.6
419.24091	2.4
424.62402	2.2
425.34137	48.7
439.35516	14.1
443.35077	4.5
457.36835	40.9
458.37405	2.5
475.32526	100.0
476.32892	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	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68510	0.8
53.03952	3.1
55.01876	2.4
55.05265	1.9
55.05514	18.6
57.03438	4.3
57.07065	3.6
59.66628	0.8
65.03936	1.5
66.16056	0.9
67.05511	48.9
67.21980	1.0
69.03432	1.8
69.07077	16.2
71.05000	1.8
71.50067	1.1
75.71654	1.1
79.05497	34.9
79.40959	0.9
81.03432	1.5
81.07064	35.0
83.04989	2.0
83.08623	8.0
85.06557	2.6
87.04496	1.6
91.05483	22.1
93.07049	39.6
95.04995	3.9
95.08613	100.0
97.06557	4.8
97.10195	3.8
103.05515	1.0
105.04521	1.2
105.07041	24.2
107.08595	19.3
109.06543	1.5
109.10168	11.5
111.08099	1.6
113.09627	1.3
115.05477	1.4
117.07019	8.7
119.08591	23.0
121.06520	2.1
121.10152	16.7
123.08086	3.7
123.11728	3.6
125.09668	2.4
128.48087	1.0
129.07036	5.6
131.08569	15.8
133.10139	17.4
135.08090	1.5
135.11720	8.3
137.09669	1.1
141.07034	1.8
141.09090	4.8
142.07690	1.1
143.08588	6.7
145.06581	1.3
145.10139	14.2
147.11690	13.6
149.09744	1.1
149.13281	6.1
155.08614	2.5
157.10159	5.5
159.10228	7.8
159.11736	11.3
161.13289	7.7
163.11195	1.5
163.14835	2.1
169.10197	3.6
171.11740	7.0
173.13284	9.0
175.14905	1.6
181.10188	1.2
183.11749	4.3
185.13257	6.1
187.14876	3.2
189.16443	1.5
197.13367	3.2
199.14932	2.9
201.16501	2.3
209.13394	1.0
211.14864	1.8
213.16499	1.8
225.16524	1.6
227.18039	2.4
231.17477	1.3
239.18172	1.5
253.19759	1.4
259.20642	2.2
261.19077	1.0
261.22235	3.5
271.20685	2.2
275.20200	2.4
285.22327	1.7
307.40753	0.9
309.58743	0.9
317.24890	2.0
363.25473	2.9
365.28467	8.5
377.26917	1.9
383.25269	1.8
383.29575	14.4
401.30685	3.1
457.33435	11.3
475.34283	92.4
476.34552	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01867	3.9
55.05515	11.1
57.03440	22.9
57.07079	47.4
61.02930	50.0
67.05509	22.1
67.68182	1.7
69.03101	1.5
69.03435	25.6
69.07072	15.1
69.44869	1.5
71.01367	3.7
71.04983	4.5
71.08632	31.7
73.02922	21.1
75.04500	2.0
79.05487	9.4
81.03423	16.1
81.07056	28.9
83.04958	1.9
83.08617	15.6
85.02909	51.5
85.06573	3.2
85.10177	17.6
87.04460	4.4
89.06040	2.5
91.03954	31.9
91.05472	6.8
93.07059	9.1
95.04961	1.8
95.08611	39.8
95.66772	1.5
97.02296	2.9
97.02893	41.2
97.06528	3.8
97.10168	9.1
99.04444	6.8
101.02400	13.0
103.03947	7.2
105.07021	5.4
106.47885	1.7
107.08591	8.3
109.02878	11.0
109.06564	1.6
109.10164	19.4
111.08060	3.5
115.03941	2.7
117.05464	2.9
117.07008	3.2
119.08562	4.6
121.10130	5.8
123.08056	3.2
123.11709	9.9
125.09634	1.9
125.13298	1.7
127.03928	20.1
129.05466	4.3
131.08595	3.9
133.10143	4.8
135.11685	4.5
137.13248	4.3
143.08560	2.6
145.04951	6.6
145.10124	3.2
147.11699	4.0
149.09587	1.7
149.13268	3.0
151.14778	2.4
159.06511	2.8
159.11653	3.1
161.13309	2.2
163.11101	2.2
171.06683	1.7
173.13228	1.5
174.97060	1.6
183.06529	4.0
201.07571	5.7
239.23671	31.5
257.24774	5.8
278.44717	1.7
279.80164	1.4
313.27377	100.0
314.27646	2.5
341.26956	4.5
383.27985	1.7
439.35587	4.5
457.31036	4.5
475.32544	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.8
53.03949	7.4
55.01864	4.8
55.05270	2.0
55.05514	28.7
57.03444	6.8
57.07064	3.1
59.04982	2.0
65.03931	6.0
67.05509	93.7
69.07069	27.1
70.23064	5.2
71.04990	4.1
73.06559	2.2
77.03902	2.2
79.05495	100.0
80.05830	1.5
81.03426	10.2
81.07058	99.2
82.07367	1.9
82.35453	1.3
83.04990	14.3
83.08621	14.9
85.06538	5.7
87.08058	1.3
91.05483	67.4
91.90175	1.2
93.07045	95.3
95.04971	21.6
95.08612	37.9
97.06536	13.2
97.10159	4.3
98.21517	1.4
99.08086	4.0
99.98318	1.5
102.71944	1.4
103.05470	1.4
105.04509	2.6
105.07034	43.7
107.04940	5.4
107.08590	38.5
109.06535	7.0
109.10191	7.7
111.08115	7.0
113.06023	1.6
113.09609	1.6
117.07035	15.6
119.08596	21.1
121.06510	4.4
121.10147	20.0
121.99305	1.4
123.08059	4.7
123.11743	1.5
125.09615	1.6
128.06230	3.5
129.07011	12.9
131.08568	11.5
133.10117	14.9
135.11703	10.2
142.07756	2.3
143.08578	9.4
145.10136	9.3
147.08046	2.9
147.11690	31.1
149.09650	1.8
149.13269	30.0
151.11180	2.1
157.10135	1.8
159.11705	11.9
161.09618	4.5
161.13263	9.1
171.11691	22.7
177.12762	8.8
189.12738	9.8
195.13834	12.0
207.13808	31.0
213.14778	2.3
225.14857	5.7
227.12892	1.8
281.17569	2.4
391.38501	1.6
475.30548	85.0
476.30981	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	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54877	0.8
53.03951	5.4
55.01864	4.7
55.05510	12.8
57.03431	3.4
57.07071	1.0
65.03941	1.4
67.05503	25.8
67.05840	1.8
69.03424	3.0
69.07066	6.1
70.06593	1.3
70.55187	1.5
70.55550	1.9
71.05002	3.3
73.02915	1.8
73.16667	0.8
79.05015	1.5
79.05492	36.0
81.03417	65.3
81.07057	23.3
83.04974	4.9
83.08614	16.2
85.06516	1.2
91.05479	23.7
93.07044	42.0
95.04967	22.8
95.08607	35.5
97.02896	5.4
97.06535	3.4
97.10171	2.2
99.04452	4.7
103.05489	1.7
105.04415	0.9
105.07027	17.9
107.04955	13.4
107.08594	27.4
109.06514	3.6
109.10147	4.8
111.04472	2.8
111.08073	5.9
113.06010	1.4
115.05489	2.2
117.07018	12.5
119.04932	0.9
119.08582	18.4
121.06506	8.5
121.10135	13.8
123.08082	1.5
125.06010	1.7
125.09676	1.1
128.06236	1.5
129.06998	8.4
130.07811	3.0
131.08557	7.6
133.06470	2.8
133.10155	5.9
135.08101	2.3
135.11688	42.4
137.09616	2.0
139.07597	1.3
142.07755	1.2
143.08582	2.0
145.10112	26.3
147.08093	2.7
147.11693	4.2
149.09625	3.5
153.12752	0.9
157.09000	1.1
157.10075	5.4
161.05975	1.7
163.11180	56.6
165.09085	2.5
173.09608	1.1
175.11163	5.3
181.12247	14.7
193.12222	20.4
193.13885	1.3
209.11813	2.1
227.12778	100.0
249.14894	2.4
355.22934	1.5
365.21054	1.3
383.22171	2.8
415.58926	1.0
457.25809	2.0
475.26920	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03941	10.0
55.01862	3.6
55.05512	25.4
57.03438	5.8
57.07064	2.4
65.03952	4.9
67.05508	91.3
69.03433	2.4
69.07071	25.2
71.04981	4.7
71.14407	1.2
71.14735	1.2
73.06544	1.5
77.03934	2.5
79.05495	100.0
81.03423	8.8
81.07059	89.5
83.04983	15.2
83.08620	16.7
85.06542	9.1
91.05482	62.6
93.07046	91.9
95.04969	20.3
95.08610	36.8
97.06541	12.5
97.10158	4.1
99.08085	3.4
100.25449	1.1
103.05502	2.3
105.04514	3.9
105.07034	39.4
107.04984	5.0
107.08594	36.5
108.08947	1.2
109.06539	5.0
109.10165	5.4
111.08073	8.4
114.57207	0.9
115.05434	1.1
117.07019	13.8
119.08580	22.6
121.06509	2.7
121.10150	17.5
123.08101	5.3
125.09662	1.7
127.07540	1.2
128.06267	2.2
129.07024	14.3
131.08578	10.1
133.10149	11.3
135.08061	2.0
135.11659	8.9
139.11200	1.2
143.08583	5.5
145.10094	7.8
147.08003	2.0
147.11688	28.7
147.12816	2.0
149.13264	31.2
151.11153	1.1
159.11700	11.3
161.09692	4.8
161.13232	10.0
163.11143	2.4
165.12868	1.5
171.11694	21.2
177.12732	6.2
179.14285	1.7
189.12746	9.0
195.13783	6.6
207.13805	30.6
225.14912	3.9
239.52644	1.1
255.97064	1.0
269.17419	1.9
297.16898	1.0
330.02451	1.1
475.30545	66.3
476.30869	2.5
494.59280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01852	1.2
55.05498	2.5
57.03431	2.6
58.06600	1.3
59.05006	1.0
61.02907	1.2
62.80780	1.0
67.05492	4.1
68.98906	1.1
69.03432	8.6
69.07053	4.9
70.06592	12.5
70.63434	2.7
71.04982	5.9
72.08154	1.3
73.02895	1.9
74.06062	3.9
79.05490	3.2
81.03423	5.7
81.07064	6.1
83.04958	2.9
83.08617	1.6
85.02905	11.9
85.06543	2.6
86.09712	15.4
86.60710	1.1
87.00809	3.4
87.04461	5.7
91.05467	3.7
93.07064	6.2
95.04968	1.6
95.08612	5.6
97.02879	3.8
97.10136	2.5
99.04449	15.9
105.01840	2.2
105.07022	3.2
107.08606	12.0
109.02848	3.7
109.06552	1.5
109.10136	4.7
111.08020	1.6
113.09631	1.7
119.08562	2.1
120.08080	4.6
121.06464	1.7
121.10141	7.4
123.08098	2.7
123.11700	3.7
125.09607	3.4
127.03899	4.4
129.10258	1.2
133.10124	4.0
135.08044	3.5
135.11714	1.7
137.09578	2.4
144.07970	1.0
145.04939	2.3
147.11685	2.2
149.09619	100.0
149.13242	2.4
151.11159	3.1
153.09090	1.2
159.02818	1.8
160.91093	1.1
161.13152	1.2
163.14778	3.5
166.08633	2.6
169.12215	2.9
173.13228	4.3
179.14279	1.0
183.13757	3.7
187.04126	1.0
191.14308	13.1
197.13013	0.9
203.60579	1.1
209.15375	22.0
227.16409	33.4
229.15462	4.0
243.13435	2.1
267.13580	1.9
310.32108	1.2
391.51462	1.2
454.19452	1.2
475.21109	1.1
475.32523	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	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
53.67077	0.7
55.01866	2.1
55.05506	2.1
56.05021	0.7
57.03425	2.3
57.07080	1.4
61.02913	1.6
67.05527	1.6
68.99797	1.0
69.03428	9.3
69.07066	1.7
69.65943	3.2
70.06597	7.2
71.04993	12.5
72.08162	1.1
73.02904	2.5
74.06042	0.9
79.05478	2.4
81.03424	9.0
81.07054	3.7
81.07486	0.8
83.04972	0.8
83.08619	2.2
84.08150	2.1
85.02904	16.4
85.06551	6.1
86.09698	3.3
87.00831	6.4
91.05451	1.9
93.07049	4.4
95.04988	1.5
95.08589	3.1
97.02909	4.9
97.06549	2.0
97.10181	0.7
99.04458	41.7
99.08055	1.0
100.23299	0.7
103.05482	1.0
104.34041	0.7
105.01881	4.2
105.07008	2.9
107.08600	9.8
109.02870	7.2
109.06503	2.5
109.10167	4.0
110.07206	1.1
113.09641	1.4
119.04955	0.9
119.08580	1.5
120.08102	1.8
121.02895	0.8
121.10155	6.9
123.08083	7.2
123.11736	4.0
125.09608	3.3
127.03921	11.7
131.08542	1.8
133.10107	8.5
135.08014	0.8
135.11705	1.1
137.05983	2.1
137.09656	1.6
139.11205	1.2
145.04942	3.6
145.10164	0.9
147.11711	1.1
149.09624	100.0
149.13255	2.8
150.09956	1.1
151.07538	1.1
151.11198	2.7
153.09045	0.8
158.10938	1.0
159.02867	2.6
161.05954	1.3
163.07477	1.0
165.12759	0.8
166.08620	1.1
167.10689	1.2
169.12276	8.1
173.13266	3.0
183.13797	11.8
183.15314	0.9
191.14314	9.0
207.13731	0.9
209.15369	18.7
217.78310	0.8
224.33720	0.9
227.16418	35.8
228.16785	1.4
229.15573	1.7
231.05040	1.0
233.09863	0.7
281.24210	0.9
286.17542	0.8
295.06003	0.9
299.05301	0.8
313.07059	5.1
321.07678	0.8
398.23560	0.8
475.32544	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
55.01875	4.1
55.05518	4.8
56.05026	2.3
57.03443	6.5
58.69566	2.7
61.02912	3.8
67.05491	7.0
69.03428	14.8
69.07058	8.5
70.06596	9.9
70.74798	6.3
70.75130	3.3
71.04969	13.4
72.08161	3.5
73.02922	3.8
76.99792	2.6
79.05502	2.7
81.03415	11.9
81.07044	15.2
83.04978	3.8
83.08633	4.7
84.08144	6.0
85.02905	26.0
85.06556	6.7
85.43090	2.2
86.09701	15.7
87.00800	8.6
87.05587	6.7
88.03976	4.4
88.69880	3.0
91.05473	6.5
93.07057	20.1
95.04963	6.3
95.08581	14.7
97.02897	11.4
97.06523	6.9
99.04446	27.3
99.08085	16.6
101.06026	4.6
105.01852	6.5
105.07020	6.1
107.04952	5.1
107.08607	29.2
109.02892	11.5
109.06509	9.1
109.10168	14.9
110.07148	17.6
111.08101	5.7
117.01778	3.8
119.08574	5.6
120.08097	9.5
121.06507	10.2
121.10130	29.3
123.08042	14.7
123.11696	4.9
125.06042	2.9
125.09624	10.5
127.03922	17.3
131.08565	8.1
133.06104	6.5
133.10126	19.8
135.08072	15.3
135.11662	3.9
137.09631	5.3
139.07542	5.3
145.04926	3.6
145.10187	4.5
147.11662	7.1
149.08447	3.0
149.09636	46.9
149.13304	15.7
151.11153	15.0
153.09166	4.4
159.11789	2.6
163.14832	12.8
169.12256	3.5
173.13272	18.9
183.13840	5.2
191.14317	52.1
209.15353	100.0
227.16463	28.1
294.05261	6.1
337.07031	6.7
400.11697	2.8
475.11301	3.4
475.32523	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01859	3.4
55.05493	1.1
57.03446	6.7
59.93854	0.9
61.02924	6.0
65.03928	1.7
67.05509	1.9
68.99802	1.4
69.03434	11.4
69.07051	2.2
69.29050	8.3
70.06606	4.4
70.13087	0.8
71.01346	1.9
71.04976	1.5
71.53039	0.9
72.08153	1.6
72.79523	0.8
73.02918	25.1
79.05482	3.8
81.03429	4.9
81.07045	5.9
83.04964	1.8
84.04493	1.3
84.08128	1.2
85.02905	21.9
86.06065	1.5
86.09704	7.5
87.04471	1.6
87.10003	1.0
91.05479	4.6
93.03387	1.2
93.07046	6.0
95.04957	8.8
95.08581	1.1
97.02892	10.9
97.06552	1.2
99.04436	1.1
100.07352	0.8
101.07059	1.1
103.03917	3.8
105.07009	5.4
107.04936	1.7
107.08620	6.9
109.02851	3.7
109.06503	2.6
111.04436	1.7
115.03929	6.4
115.87511	1.0
117.07047	2.1
119.04949	5.1
119.08585	3.0
121.02010	1.7
121.02872	30.0
121.06503	2.2
121.10155	6.6
123.04427	2.7
123.08060	1.5
125.05981	2.4
127.03887	5.7
130.07767	1.8
133.02832	1.3
133.04982	5.4
133.06514	0.9
135.04454	0.8
135.08031	1.0
135.11688	3.0
137.05945	1.4
138.05484	3.1
139.03882	1.8
144.08063	1.2
145.02853	6.4
145.04941	5.4
145.10121	10.3
147.04413	3.5
147.08089	1.5
149.02301	1.5
161.02304	1.0
161.05954	0.9
163.03891	3.7
163.11176	43.3
171.04408	1.2
173.02361	3.9
175.11258	1.2
176.01001	4.5
177.01845	1.8
179.03360	3.2
181.05009	1.4
181.12193	5.1
187.03888	2.6
189.01825	10.7
190.02621	2.2
191.03407	11.1
194.02101	1.5
195.02798	2.1
201.01837	2.6
203.03461	1.3
205.12204	1.6
207.02849	5.8
215.03296	1.4
219.02907	12.4
223.13319	2.2
239.06976	1.1
243.06581	1.9
251.07031	1.2
255.02879	1.0
255.06476	3.7
256.07315	3.3
263.07126	1.7
266.05716	1.2
267.06436	2.8
268.07413	2.8
279.06537	4.0
280.07294	3.2
281.08038	11.4
283.06058	6.4
284.06778	21.6
285.03931	1.0
285.07465	2.4
291.06567	2.4
294.05222	47.0
295.06052	14.2
296.06818	3.1
297.07553	7.4
298.08057	2.2
303.54614	0.9
307.05994	50.7
308.06723	12.8
309.07535	16.9
313.07053	100.0
314.07440	1.9
319.06119	12.2
320.06891	2.3
321.07504	5.1
322.08572	1.0
323.09137	1.6
325.07071	36.7
326.07672	1.5
333.07581	2.2
335.09024	1.1
336.06317	3.6
337.07050	99.2
338.07422	2.9
339.08536	1.3
347.09241	1.7
349.07022	4.6
351.08594	7.1
353.06573	1.1
355.08115	60.7
356.08414	1.4
361.06949	4.4
363.08798	1.4
365.06305	1.6
365.10330	1.8
367.08075	7.9
375.08572	2.5
379.08157	24.9
391.08115	14.4
393.09491	1.4
403.08173	6.8
404.93143	1.0
409.09085	3.0
416.76953	1.0
421.09195	14.6
439.10294	23.6
440.10095	1.0
457.11285	36.3
458.11667	1.1
475.12000	15.0
475.18195	5.0
475.27335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23703	5.6
62.37571	5.1
64.18802	4.6
67.05498	4.9
69.03433	10.9
69.49352	23.3
69.49773	16.3
70.06584	8.9
71.04997	13.1
81.03413	7.3
81.07036	10.8
81.16216	4.6
82.49644	4.3
83.08622	5.7
84.08127	9.3
85.02892	20.8
86.09698	10.8
87.00808	8.3
91.05476	6.1
93.07039	10.4
95.04962	75.9
97.02898	9.2
99.04451	19.4
99.08076	8.5
105.01839	8.2
105.07045	13.3
107.08578	18.9
109.02885	8.2
109.10133	27.0
119.08588	7.8
123.11711	20.5
127.03911	18.2
131.08569	9.4
133.10112	78.0
145.10072	6.1
149.13278	6.9
151.11177	14.1
153.09084	34.2
160.83717	4.8
164.28996	5.1
169.12228	11.8
173.13211	24.4
191.14333	49.7
201.47591	5.5
209.15366	100.0
227.16391	19.7
307.05893	6.4
337.07047	7.7
355.07913	5.7
416.39676	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	474.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47080	1.1
57.03435	4.4
59.05001	100.0
61.02925	1.5
69.03423	3.4
69.07075	1.2
70.06600	7.7
70.84609	2.5
71.05021	1.3
72.08150	3.7
74.06086	1.6
78.75023	1.0
81.03424	2.1
81.07038	1.4
84.04522	2.2
84.08144	3.3
85.02911	6.3
86.09711	11.3
87.04487	6.9
88.76221	1.0
89.06027	1.1
91.05481	1.7
97.02903	1.9
97.06531	1.8
99.04430	1.7
99.08114	1.5
100.40314	1.2
103.07586	14.3
105.07021	1.8
107.08529	1.2
108.83739	1.5
109.02859	1.4
117.09136	27.7
120.08093	3.4
121.08744	1.3
124.13544	1.1
127.03895	2.5
129.10263	2.6
130.06561	1.1
131.07065	1.9
138.52051	1.1
161.11734	5.1
162.05486	1.3
175.09605	1.2
175.13263	8.1
179.12784	4.6
201.12318	2.9
211.18536	1.2
219.15865	1.4
229.11816	1.3
233.17494	1.9
237.16988	2.8
269.91995	1.1
295.17850	2.2
295.21146	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53363	0.9
52.67626	1.0
56.05028	1.3
57.03439	5.7
59.05002	100.0
70.06591	5.0
72.74772	1.1
81.03416	1.5
84.08145	2.0
86.09711	5.3
87.04461	2.5
89.06034	60.3
91.05492	1.6
95.55639	1.1
97.59277	0.9
98.20760	3.0
100.32850	1.0
103.07569	3.0
103.48469	1.0
117.09138	26.1
120.08067	1.9
124.03977	4.1
127.03915	1.3
130.05028	1.1
131.07095	1.4
131.08542	1.2
133.08614	31.3
147.10185	1.0
147.11581	1.2
151.09749	1.1
158.99591	1.1
165.09178	2.0
175.13293	5.8
177.11221	16.1
189.12706	1.2
195.12354	2.2
207.13866	1.3
221.13936	2.1
229.15619	1.3
237.02928	1.3
239.14883	2.7
263.13113	1.0
268.08194	2.6
283.17538	28.5
291.86823	0.9
311.04846	1.0
341.21625	5.8
399.25900	1.8
402.40881	1.2
411.16721	2.2
457.30112	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.8
56.04992	0.3
57.03437	2.0
61.02930	2.3
65.03903	0.9
67.05501	1.6
68.99762	0.5
69.03385	1.0
69.07084	0.2
70.06554	1.0
71.09460	0.5
71.36973	0.2
72.08119	0.5
73.02924	1.5
79.01790	0.3
79.05453	0.8
81.03365	0.8
81.07016	0.6
83.01325	0.2
83.04942	0.4
84.04453	0.6
84.08099	0.8
85.02903	4.1
86.09706	3.3
87.09996	0.2
91.05475	1.8
92.57043	0.2
93.03397	2.0
95.01308	0.3
95.04958	1.7
97.02909	1.1
99.04385	0.2
101.07116	0.4
103.03943	2.8
103.05453	0.5
105.03342	1.0
105.07060	0.2
105.44387	0.2
107.04963	1.3
107.05519	0.2
107.08537	0.3
109.02869	1.4
111.00748	0.3
111.04381	1.0
115.05416	0.3
117.03352	0.2
118.04122	0.3
119.04144	0.3
119.04938	5.1
120.08071	0.3
121.02863	23.5
122.03118	0.4
123.04366	1.0
129.10188	0.3
131.04892	0.6
131.11774	0.5
133.02792	0.7
133.06479	0.5
133.10130	0.3
135.04411	1.7
137.02269	0.3
139.03868	0.8
140.06952	0.3
143.04855	0.3
144.08015	0.3
145.02837	5.8
145.06425	0.3
145.10080	0.3
147.04396	1.6
149.02342	1.1
150.03088	0.3
151.03839	1.0
153.05440	0.6
155.04887	0.3
159.04387	0.4
160.34834	0.2
161.01256	0.3
161.02348	2.2
161.05869	0.3
162.03104	0.3
163.03911	3.8
163.11169	1.9
163.29155	0.2
165.01764	0.5
165.05443	0.2
167.03358	0.7
170.23535	0.2
171.04445	0.5
173.02327	3.6
173.65894	0.3
174.05498	0.3
175.00198	0.4
175.03914	1.1
175.99557	0.4
176.01050	5.7
177.01831	2.1
177.05470	0.5
179.03410	2.5
181.04945	2.1
185.05914	0.3
187.03929	1.9
189.01811	11.4
189.05426	0.7
190.02608	2.1
191.03389	11.2
193.04881	0.3
194.02121	1.4
195.02893	0.8
197.04378	0.5
197.06047	0.4
199.03850	0.4
201.01828	2.5
201.05502	0.7
202.02588	0.4
203.03374	1.7
204.04066	0.4
205.01428	0.3
205.04869	0.8
207.02896	7.1
207.08035	0.3
208.03529	0.7
209.04424	1.4
209.11383	0.3
211.04019	0.3
211.07533	0.4
213.05429	0.4
215.03476	1.3
217.04889	0.8
218.02135	0.3
219.02884	11.8
221.04402	0.7
223.07565	0.3
225.03873	0.4
227.03577	0.2
227.06830	0.3
229.04958	1.0
231.02818	1.0
231.06425	0.3
233.04453	1.6
235.07521	0.5
237.03903	0.7
239.03409	0.6
239.06947	0.7
241.04976	0.4
243.02892	0.5
243.15439	0.3
247.02344	0.2
247.06010	0.7
251.07132	1.2
252.07762	0.4
253.08421	0.4
254.05681	0.3
255.06438	0.8
256.07275	0.3
257.04413	0.7
259.05972	0.4
261.03918	0.6
261.14276	0.3
262.06302	0.3
263.07013	1.1
265.04926	0.4
265.08865	0.3
266.05695	0.6
267.06409	2.6
268.07269	2.3
269.08002	0.8
270.05185	0.4
279.06500	3.9
280.07315	2.6
281.04877	0.5
281.08072	10.3
283.06006	4.3
284.06818	2.9
285.04025	1.2
290.05673	0.4
291.06564	3.1
292.07214	0.6
293.04529	0.6
293.08087	1.7
294.05212	44.3
295.05991	12.2
295.09329	0.5
296.06696	2.8
297.07568	8.0
298.08307	1.6
301.07028	0.3
304.07153	0.3
305.07977	1.0
307.05991	48.8
308.06757	14.6
309.07550	15.7
310.07886	0.4
313.07059	4.7
317.08060	0.7
318.08661	0.3
319.06027	11.5
319.09412	0.6
320.06683	2.0
321.07541	5.0
322.04785	0.4
322.08255	2.3
323.05508	0.5
323.09100	0.9
325.07047	35.9
326.07388	0.7
329.08063	0.4
332.06619	0.4
333.07562	2.6
334.08316	0.8
335.05508	1.1
335.09241	0.7
336.06116	3.1
336.09714	0.2
337.07037	100.0
338.07446	2.9
339.04922	0.4
339.08533	1.7
345.07455	0.7
346.08249	0.4
347.09216	1.6
348.06284	0.7
349.07077	3.6
350.07782	0.9
351.08655	6.7
353.06503	0.9
355.08105	64.4
356.08401	1.7
357.07492	0.3
358.74356	0.3
360.05930	0.3
361.07101	3.3
362.07584	0.4
363.08554	1.1
365.06461	0.8
365.10214	2.3
367.03699	0.5
367.08130	7.3
373.07095	1.1
375.08527	2.5
377.06656	0.5
379.08109	26.1
380.08472	0.6
385.08954	0.8
389.17685	0.4
391.08096	15.1
392.08597	0.5
393.09827	1.4
401.10110	0.6
403.08121	5.4
409.09195	5.1
421.09146	16.9
422.09647	0.7
429.09079	0.3
431.18958	0.9
434.93457	0.2
439.10239	19.7
440.10403	0.7
445.09036	0.3
457.11301	37.1
458.11523	1.1
475.11963	8.9
475.18066	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1735
Annotation	Raloxifene
Peak:m/z	Relative Intensity
56.05021	0.3
70.06573	0.8
70.74739	0.8
70.75098	0.3
72.08083	0.6
74.50179	0.3
77.03900	0.4
79.64269	0.3
83.06092	0.4
86.09676	0.6
95.06074	0.5
104.04989	0.9
105.03355	0.7
105.05753	0.9
105.07009	1.6
106.06570	0.7
108.28028	0.3
111.04942	0.4
111.05571	4.4
120.04470	3.3
122.09615	0.7
123.05540	1.1
125.05814	0.6
126.06632	2.4
132.04457	24.5
133.05232	0.4
134.06007	5.3
137.04736	1.9
151.06154	11.6
158.05959	0.5
159.05530	0.4
165.07774	0.3
166.07323	0.5
173.07001	0.3
174.06615	0.5
194.06715	5.0
195.07570	0.8
195.55919	0.3
202.09749	2.4
206.06915	0.4
208.08304	0.5
214.09796	0.4
216.11360	0.7
227.09265	0.6
230.09279	1.4
232.10713	0.8
242.09261	5.1
252.19623	0.4
255.08850	0.7
257.10327	5.0
258.08731	0.7
259.11917	11.7
259.34229	0.4
284.11417	7.4
302.12482	12.8
327.12009	3.6
345.13065	100.0
346.13364	2.6
420.78152	0.4
445.89056	0.4
456.16202	0.8
474.17319	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.3
57.07076	2.0
67.05490	5.0
68.81651	1.9
69.03423	5.2
69.07056	5.2
70.06596	56.2
71.01599	5.6
71.05000	14.8
71.06927	3.7
72.08157	2.3
74.13025	2.0
79.05499	5.3
80.85528	2.2
81.03415	3.2
81.07049	9.1
83.08593	2.1
85.02885	6.6
85.06535	7.0
86.09676	5.8
91.05476	9.3
93.07026	9.8
95.04967	4.1
95.08614	15.6
97.06535	15.9
105.07033	11.8
107.08599	21.7
109.06495	5.3
109.10149	5.0
111.08079	4.9
118.06873	14.6
119.08524	10.3
121.10151	34.3
127.03905	2.1
130.06517	3.6
131.08542	9.3
133.10136	100.0
135.08069	13.7
145.10098	6.8
147.11693	15.0
149.09668	2.6
149.13283	18.8
158.10843	3.7
173.13268	25.0
191.14316	93.7
201.10556	2.2
249.10945	2.7
278.23511	2.5
295.35452	2.6
316.66208	3.7
317.15872	7.1
338.10251	2.8
372.26022	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	473.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18364	3.3
53.03949	6.5
55.05514	26.0
57.07062	10.4
59.04988	7.0
65.82449	3.7
67.05505	42.4
69.07073	37.2
69.76332	4.3
71.08623	4.4
71.50198	5.0
79.05492	24.9
81.06593	5.5
81.07058	69.4
83.08613	19.6
83.34041	3.6
84.66614	4.6
85.06548	12.1
91.05467	24.4
93.06596	3.8
93.07050	50.8
95.08608	100.0
97.10145	10.7
103.05479	3.6
105.07027	41.0
107.08597	76.4
109.09482	6.4
109.10161	81.5
110.32386	3.9
119.08563	48.7
121.10139	92.2
123.08060	4.4
123.11706	39.7
125.07851	3.6
131.08549	9.4
133.10144	35.9
134.95335	4.7
135.11671	45.9
137.13263	18.7
139.11145	6.3
141.09073	5.9
145.10086	15.5
147.11684	35.5
149.13226	25.7
151.11124	5.8
159.11673	16.7
161.13226	29.1
163.14841	28.7
170.55206	3.8
173.13228	10.9
175.14915	18.4
175.16142	3.5
177.16370	13.3
179.25020	3.5
179.81813	3.6
184.55650	3.9
187.14897	5.2
189.16408	11.5
191.17947	12.5
195.13869	6.1
201.16403	6.4
203.17986	26.1
205.19566	5.1
215.18021	6.5
217.19574	23.5
219.21143	5.3
243.21080	5.3
249.18481	12.6
257.22638	5.9
263.73312	4.8
264.52820	4.3
285.25934	7.2
317.24692	4.0
359.29483	16.7
385.34714	7.1
441.37299	31.2
445.51434	4.9
473.34125	10.6
473.40198	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	473.3629
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03928	3.8
55.01847	4.8
55.05322	2.4
55.05516	25.5
57.03428	8.9
57.07079	14.7
58.71458	2.5
59.64963	2.5
63.00970	2.5
67.05506	37.7
69.03432	37.8
69.07068	33.7
69.94440	12.8
71.04992	5.7
71.08613	13.0
73.02921	2.8
79.05503	24.8
81.03422	3.9
81.07063	49.6
83.04954	5.3
83.08622	24.9
85.06557	4.1
85.10154	3.7
91.05489	23.5
93.07056	48.4
95.04946	9.1
95.08072	4.9
95.08619	66.1
97.06544	26.3
97.10166	13.9
99.08070	4.7
99.34579	2.7
105.07051	39.5
107.08597	67.8
109.06505	9.4
109.10164	37.5
111.08087	9.0
111.11707	5.8
117.06989	8.6
119.08587	51.7
121.06498	4.0
121.10148	45.8
122.16424	2.8
123.04505	3.6
123.08056	7.8
123.11716	18.8
125.05994	4.4
125.09629	45.2
129.07042	3.4
131.08607	13.7
133.10143	26.4
135.08043	4.8
135.11710	53.4
137.09608	3.8
137.13290	3.7
139.11218	8.1
143.08542	11.2
143.10672	3.5
145.10123	33.3
147.08147	4.2
147.11713	29.5
149.09628	7.1
149.13268	14.3
151.11197	3.5
153.09108	6.1
153.12761	3.4
157.10129	9.1
159.11679	34.9
161.09589	17.4
161.13243	17.4
163.11174	21.6
163.14853	10.1
165.12819	7.7
166.67398	2.8
167.14319	23.6
169.10109	4.4
171.11690	9.4
172.69997	3.2
173.13307	27.5
175.14806	7.7
177.16333	4.9
181.12234	8.6
183.11691	6.1
185.13213	9.8
187.14792	17.0
189.16365	9.0
191.14294	5.5
191.17952	6.2
197.13231	5.7
199.14857	7.7
201.16364	28.9
203.17963	26.9
209.15277	3.1
211.14761	4.3
213.16417	9.2
215.17996	7.3
225.16455	6.5
226.17075	4.2
227.17944	9.9
229.15851	3.9
239.17969	4.0
247.16943	25.7
255.21016	4.7
257.22601	4.1
261.25900	4.4
269.22687	31.8
279.26688	4.4
281.22720	4.4
289.25232	4.8
307.26318	5.7
343.28595	19.4
353.28656	5.2
381.30026	12.6
399.30981	13.1
401.31766	5.6
419.33102	15.9
437.34180	100.0
437.65836	3.3
455.35272	24.0
473.28589	3.9
473.35400	18.1
478.22186	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	473.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.3
53.03949	10.2
55.01861	3.6
55.05271	1.7
55.05512	22.3
57.03421	4.2
65.03936	4.1
67.05507	51.6
69.03433	3.1
69.07068	11.1
70.94283	3.1
71.04997	2.2
77.03937	1.3
79.05495	63.0
81.03420	100.0
81.07056	42.3
83.04981	13.0
83.08158	1.6
83.08619	19.8
85.06538	2.5
91.05482	61.7
93.07046	50.8
93.07643	1.9
95.04976	37.1
95.08607	19.7
97.02895	3.6
97.06527	4.8
97.10165	4.8
103.05473	2.6
105.04502	3.1
105.07031	40.1
107.04964	10.1
107.08598	13.1
109.06514	6.1
109.10156	5.9
111.04449	2.1
111.08103	8.1
115.05434	3.3
117.07014	8.7
119.08582	30.8
121.06510	4.2
121.10147	6.9
123.08083	6.2
125.09631	2.4
126.66908	1.2
128.06207	3.8
129.07010	27.8
130.07851	1.3
131.08566	11.5
133.05640	1.2
133.06535	3.8
133.10138	10.9
135.08051	2.0
135.11710	3.2
137.09537	1.5
141.06950	1.6
142.07773	2.6
143.08565	7.5
145.06473	3.4
145.10132	8.6
147.08069	3.6
147.11691	29.2
149.02335	3.6
149.09645	4.7
155.08592	2.4
156.09268	1.1
157.10146	8.6
159.11688	1.6
161.09666	3.6
161.13283	8.0
165.12817	1.8
169.10219	1.4
171.08037	1.7
171.11691	21.4
175.11230	8.9
183.11514	1.4
189.11241	2.1
189.12776	8.6
193.12254	28.6
207.13792	18.3
225.14963	2.0
229.15875	1.9
249.14767	6.5
329.21204	1.3
363.23016	1.4
381.24292	3.9
389.71957	1.4
399.25037	1.8
417.26620	1.4
455.27991	3.7
473.29010	67.9
474.29352	1.8
485.75586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09834	1.8
53.30254	1.6
56.05025	1.6
64.28947	1.8
69.85114	1.9
71.47810	3.4
74.02446	9.4
84.08145	64.9
85.02877	3.1
88.03995	5.4
95.01307	6.9
97.02915	2.0
98.60120	2.2
99.43858	2.1
107.11441	1.9
116.03437	4.0
116.07084	3.2
130.08646	100.0
133.06140	2.5
134.04504	12.4
135.41602	2.1
141.01802	5.3
177.03931	7.9
180.02148	1.7
245.11240	2.5
246.11890	2.1
322.10434	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	472.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84390	1.9
56.01561	1.4
56.05014	1.7
57.03444	1.6
63.22493	1.8
69.03416	2.6
70.06583	6.0
71.48547	1.7
74.02425	2.1
84.08144	64.6
85.02872	1.5
88.03986	1.7
91.78151	1.5
111.04414	2.0
116.07092	3.3
118.08646	1.9
130.08644	100.0
134.04506	2.1
151.84663	2.0
158.97476	1.7
163.03987	2.8
178.47079	1.7
232.07278	2.0
253.23660	1.8
260.93982	1.9
322.10474	5.2
341.06647	3.1
353.06195	2.4
455.09457	1.8
472.13593	3.5
486.90240	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79520	0.4
55.01859	0.5
56.05034	0.5
69.03423	0.7
70.06596	3.2
71.07823	0.5
71.08163	0.5
72.08149	0.6
74.00636	0.5
76.03984	1.2
80.04996	0.9
84.04510	6.6
84.08135	0.9
85.02894	0.8
85.04032	2.4
85.63875	0.4
86.09692	1.8
91.05466	0.6
92.01697	0.8
93.05780	0.7
94.06562	1.1
95.04959	0.6
97.01112	1.1
99.02651	0.8
99.05621	0.4
102.60383	0.4
105.07011	0.4
108.08094	0.9
110.06032	0.7
113.03499	0.6
118.06538	1.3
119.07328	5.5
119.08579	0.7
120.08101	4.3
122.09694	0.5
123.08019	0.7
124.02157	0.8
125.02962	11.4
126.03764	3.6
127.03888	0.4
129.06596	0.6
129.10252	1.0
130.04985	4.1
130.20279	0.4
131.04506	1.3
133.10139	0.4
135.02620	1.3
135.08026	0.6
136.02080	0.5
136.07579	1.2
137.02885	0.6
137.04181	1.4
142.06870	0.6
145.05994	0.8
152.05295	33.0
154.06783	0.8
160.00699	0.5
161.04265	0.8
161.07916	0.4
162.62007	0.4
163.11163	0.5
165.07881	4.1
165.09108	0.8
166.08626	7.5
168.10211	0.7
170.06360	5.3
177.03268	5.8
178.06851	1.6
180.04807	1.6
181.06044	0.6
181.12276	0.5
185.03812	2.3
198.05844	100.0
200.07384	0.9
206.06310	1.5
224.07431	8.6
225.14828	1.1
229.15385	0.7
231.04381	4.9
235.09846	0.4
241.10081	3.9
251.08562	2.2
252.06898	11.0
269.09558	5.0
288.06500	0.8
307.11118	1.6
344.12698	7.5
357.40176	0.5
398.13910	1.4
456.20029	0.5
472.35516	0.5
473.16611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61935	0.3
61.69929	0.3
67.05491	0.2
69.35094	2.3
69.80552	0.3
70.06583	1.1
70.27376	0.2
79.05486	0.4
81.03418	0.5
84.08128	0.4
85.02881	0.4
86.09703	0.5
89.03922	0.4
91.05479	0.8
98.21462	0.5
99.33172	0.3
103.05441	0.3
105.07018	0.3
107.04918	0.2
110.07175	0.3
111.04409	0.8
115.05460	0.4
117.03350	0.5
117.07008	1.9
119.04884	0.3
120.08076	0.3
123.04439	2.1
126.34003	0.2
135.04430	1.0
136.07631	0.3
137.02344	0.4
139.03914	3.4
143.07303	1.1
144.08084	100.0
145.02837	0.7
145.08434	1.5
147.04433	1.3
154.71201	0.3
155.06023	0.6
160.11229	1.1
161.10748	16.5
162.10991	0.3
163.03899	3.7
164.04208	0.3
165.05528	0.4
178.12267	0.8
181.05005	0.9
184.77777	0.3
191.03462	1.0
204.42363	0.3
206.11871	0.4
224.12828	1.8
236.96996	0.3
254.98032	0.8
291.08670	0.8
309.14526	0.7
411.02222	0.9
471.14825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	Melianone
Peak:m/z	Relative Intensity
53.03942	1.6
55.05513	7.5
60.43353	1.4
65.03923	2.1
67.05508	17.9
68.99781	4.3
69.07069	100.0
77.62010	1.1
78.73167	1.2
79.05489	11.1
81.07064	23.8
83.04974	2.1
83.08608	3.1
85.06531	1.5
91.05473	10.8
91.31557	1.2
93.07043	21.2
95.07990	1.8
95.08604	29.3
97.06531	36.3
97.10130	3.1
99.08086	1.5
105.07034	21.6
107.08591	23.8
109.06540	1.7
109.10151	26.2
111.08086	4.0
115.07572	4.0
117.07032	5.1
119.08583	21.2
121.06551	1.7
121.10139	17.4
123.08071	2.4
123.11745	6.8
125.09599	2.1
127.91666	1.6
129.07016	1.7
131.08542	8.2
133.10147	15.6
135.08023	1.7
135.11707	9.4
137.09518	1.5
137.13246	1.6
139.07532	28.5
143.08565	4.3
145.10130	15.3
147.11690	15.2
149.13263	8.6
151.11218	1.9
156.09296	1.5
157.08614	33.8
157.10103	5.4
158.10632	1.5
159.11723	12.5
161.13216	10.7
163.11163	2.0
163.14845	4.5
165.09164	1.6
169.10156	1.5
171.11708	4.0
173.13316	11.2
175.14821	14.6
179.14372	1.5
185.13237	3.4
187.14812	15.2
189.16397	8.5
198.14140	1.3
199.14850	2.3
201.16473	8.2
203.17949	2.0
205.15825	2.7
213.16411	4.7
215.17958	3.7
227.17995	4.5
229.19678	2.0
241.19562	5.0
258.44229	1.3
260.37582	1.3
295.24237	4.1
297.25760	17.5
303.16428	1.4
311.27283	1.8
313.25174	7.3
315.26804	4.7
329.24002	1.5
339.26804	4.8
425.34348	1.8
432.41284	1.5
453.33780	3.6
471.34753	65.9
472.35266	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	471.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29467	0.6
51.05602	0.6
59.25924	0.7
69.03430	1.2
70.06585	0.9
70.75958	1.0
70.76307	1.7
71.04990	1.5
81.03402	2.9
82.99873	1.9
84.08165	0.8
85.02873	1.6
86.06062	2.6
91.88489	0.6
99.04448	1.5
101.00288	1.1
101.00885	14.6
109.02853	4.3
113.00854	1.6
114.05516	0.9
115.02417	2.6
119.01929	15.6
127.02416	1.7
131.01912	2.1
132.06566	0.9
133.03468	4.4
133.34346	0.9
137.03017	1.8
138.01721	0.8
139.02402	4.0
141.00320	2.2
141.03905	0.7
143.01904	11.2
145.03448	4.4
156.02644	1.2
157.03468	24.3
159.01387	4.9
159.04987	1.0
160.02187	1.4
161.02971	14.8
167.01843	3.6
169.03552	1.0
171.04996	2.3
175.04536	11.3
181.03339	0.8
183.05005	3.3
184.02281	1.1
185.02966	11.8
187.04492	4.4
189.06081	1.4
199.04521	4.1
201.06075	3.5
203.04016	8.0
209.03012	1.2
217.05588	3.6
227.03995	2.2
235.06464	0.8
245.05130	4.5
245.11192	1.5
246.05254	1.2
259.06744	4.2
274.62012	0.7
277.07693	72.2
278.07861	2.2
293.04492	0.7
295.08755	100.0
296.08936	3.0
318.10416	1.9
411.13477	1.1
429.14453	1.5
440.10468	0.9
460.23172	0.8
471.15430	1.9
471.26474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1285
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
51.02372	0.8
55.01863	1.4
62.07498	0.6
65.03933	2.3
65.71785	0.6
67.05488	1.3
68.99799	1.4
69.03417	0.9
69.07061	0.7
70.06596	6.6
71.49541	1.2
72.08154	1.5
79.05458	0.7
81.03417	1.2
82.45094	0.5
83.20898	0.7
84.04492	0.9
84.08141	1.6
85.02936	1.4
86.09705	10.5
86.98850	0.6
91.05472	3.1
93.03404	4.4
95.04973	1.6
97.02890	1.1
103.32104	0.6
105.03397	0.8
105.07105	0.8
107.04960	1.9
109.02892	1.5
110.07182	1.1
111.04440	13.4
115.05502	0.8
116.06351	0.6
116.07071	3.0
119.04948	4.6
120.07997	0.6
121.02858	0.6
123.04431	64.2
124.04772	0.9
127.03882	1.5
133.06496	0.8
135.04448	4.2
136.07632	1.4
137.01381	0.9
137.02364	9.7
137.03412	1.1
137.06021	1.0
139.03905	100.0
140.04245	1.3
143.04932	2.2
145.02849	0.8
145.39078	0.6
147.04414	18.7
151.03914	2.3
161.05986	7.9
163.03918	13.5
165.01802	1.3
165.05481	15.0
169.04942	1.0
177.05449	1.9
179.03421	1.3
179.06964	3.1
181.04968	23.8
189.01822	1.9
189.05484	3.3
191.03403	21.2
195.02956	0.7
199.17995	1.7
203.03430	2.0
205.05042	0.8
207.02893	2.3
207.06546	7.2
209.09186	0.6
213.05486	0.8
217.05054	0.8
221.04533	1.4
227.10268	1.9
227.17561	2.2
233.04495	0.8
247.06140	1.5
249.07536	1.4
259.06073	2.4
271.06073	2.1
273.07639	3.3
289.07190	0.7
291.08630	24.1
292.08917	0.8
301.07071	5.4
313.07083	6.3
317.06516	2.6
319.08115	1.2
325.06946	0.9
331.08240	0.8
343.08124	7.2
411.11050	3.0
435.10675	0.8
453.11850	1.0
470.36893	1.1
471.12714	0.8
471.19373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.07077	100.0
58.04210	4.2
59.05005	19.8
63.79155	1.7
67.09699	1.6
68.29173	1.6
69.07061	3.9
71.06247	1.5
71.08631	83.4
72.05760	2.2
73.02908	2.9
73.06553	2.6
81.07056	5.5
83.08621	2.4
85.10184	72.1
87.04469	8.0
89.06023	11.6
90.01903	23.7
95.08573	3.3
97.10170	4.0
98.21624	3.8
99.11738	11.1
103.07594	6.6
105.07060	2.7
111.11726	3.4
113.13232	5.2
117.09150	3.1
133.08606	2.6
141.16394	2.9
145.10063	2.0
152.15588	4.1
155.17912	9.0
178.07086	2.5
183.17448	2.9
212.21309	2.2
213.22110	5.7
214.49106	2.1
222.09749	7.4
240.10750	7.2
257.24689	2.2
287.59338	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	470.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.6
56.68837	1.0
57.03439	10.9
57.07067	2.9
58.80004	0.9
59.04995	1.5
67.05499	2.8
69.07056	3.3
70.02956	2.2
70.06596	2.0
71.01360	2.7
71.21830	1.2
71.22151	1.5
72.04517	15.8
73.02914	14.5
75.04467	1.0
81.07031	1.2
83.04963	1.2
84.08131	2.3
85.02902	13.7
85.06532	4.1
86.09694	3.2
86.54859	1.0
90.02148	1.1
90.05544	4.0
95.01326	5.2
95.04972	3.2
98.02412	6.1
99.00845	1.1
99.86352	1.2
99.91786	1.0
100.03970	3.3
103.03931	2.4
103.07606	2.1
107.04714	1.1
112.07623	1.7
113.02388	8.1
113.05994	3.9
113.30447	1.0
116.03459	10.4
117.05500	54.4
121.06508	4.0
124.07618	8.2
129.05481	100.0
129.10133	1.1
130.08682	1.1
131.03423	2.1
131.07039	1.4
132.10239	1.5
137.08043	1.0
138.09132	2.0
141.01843	8.6
142.08615	7.4
146.08125	11.4
147.04424	1.2
148.03615	1.0
159.02914	2.7
160.09711	4.2
163.03928	2.0
164.09198	15.2
166.08699	1.5
171.06554	2.0
172.06038	1.5
174.11258	3.6
184.09689	12.8
202.10747	27.2
213.42130	1.1
228.65483	1.2
258.13446	2.6
276.14423	54.9
294.15469	53.6
294.18835	2.3
305.08673	17.5
340.12457	1.7
416.15408	1.5
434.16583	1.1
452.17661	6.4
470.24960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05510	5.5
57.07068	4.2
58.72994	2.3
67.05496	8.8
69.03435	2.8
69.07065	2.8
70.06586	2.7
71.04996	3.8
71.49342	2.8
79.05494	7.1
81.07047	10.1
81.85438	1.9
83.04993	3.6
83.08617	4.6
86.09688	2.2
91.05479	13.5
93.07047	6.6
95.04941	3.8
95.08595	6.6
105.07050	11.8
107.08588	7.6
109.02859	2.4
109.06508	3.7
109.10139	3.5
111.04370	2.0
115.05432	2.9
119.04930	15.5
119.08559	8.2
121.06476	2.5
121.10150	6.6
123.04432	100.0
123.08032	2.5
125.09579	2.3
131.08553	5.1
133.06491	5.1
133.10112	8.2
135.04379	4.2
135.08124	2.5
135.11665	3.0
137.05977	4.6
139.03894	4.3
143.08513	4.1
145.10146	7.6
147.04401	28.6
147.11671	4.0
149.05939	2.5
149.09616	5.1
151.03885	17.5
151.67294	2.2
155.08527	2.9
157.10107	2.7
159.08064	5.1
159.11644	3.2
161.05937	9.3
161.09698	4.3
163.03958	7.2
165.05496	15.6
165.06709	2.1
169.10059	3.4
171.11794	2.5
173.09639	6.5
173.69342	2.0
174.27905	2.1
175.07498	4.6
175.11179	5.9
179.10684	2.0
185.09642	4.8
187.07526	5.0
189.05415	3.8
191.07089	3.0
197.09526	2.3
201.09081	6.4
203.07080	7.2
203.10608	3.0
207.06386	2.7
215.07045	8.0
219.10251	3.9
221.30164	2.5
225.09286	2.0
227.06911	2.8
228.07907	2.4
229.08556	18.1
229.12260	4.8
241.08582	6.2
243.10126	12.9
245.11848	4.1
247.13354	4.2
255.13795	6.1
257.08087	7.0
257.11807	7.2
271.10297	3.7
271.13284	47.7
281.11774	2.9
283.13275	5.4
299.09381	3.7
299.12766	45.2
299.16019	4.6
303.08844	3.4
311.12827	14.9
317.13824	56.0
317.16962	2.0
325.70731	2.1
329.13806	12.7
341.13879	2.6
371.14832	7.2
405.16977	3.1
423.17981	9.3
433.16467	3.7
451.17496	69.2
469.18625	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	469.1858
Annotation	Dukunolide D
Peak:m/z	Relative Intensity
55.01873	3.2
55.05499	7.3
57.03428	2.3
66.44601	2.2
67.05499	12.7
67.63395	2.1
68.99775	2.1
69.03412	4.0
69.07066	4.0
70.06583	3.0
71.04989	6.1
79.05484	6.0
81.03399	4.3
81.07059	16.6
83.04994	4.6
83.08578	3.9
88.37337	2.2
88.67831	1.9
90.88602	2.4
91.05496	12.5
93.07030	8.3
95.04964	4.9
95.08578	9.8
97.06510	3.2
98.93119	2.1
105.03402	2.5
105.07021	13.7
107.08586	11.7
109.06500	4.5
109.10160	7.0
115.05403	2.9
119.04937	14.7
119.08559	10.2
121.06519	3.5
121.10151	5.3
123.04430	100.0
123.11704	3.3
125.59451	2.0
129.06982	3.6
131.08569	6.7
133.06470	3.2
133.10115	11.5
135.04393	2.7
135.08038	5.0
135.11676	4.2
139.11241	2.4
141.06929	4.3
143.08600	5.3
145.09035	2.2
145.10136	7.1
147.04395	32.1
147.08095	3.2
147.11668	6.6
149.05972	3.4
149.09555	2.7
151.03900	18.2
151.07530	3.0
153.05313	2.5
157.10088	3.9
159.07996	3.6
159.11670	3.6
161.05980	8.7
161.09583	4.6
163.03885	10.0
165.05515	16.3
169.10114	5.2
173.05995	2.8
173.09662	2.9
173.13289	3.3
175.03873	2.4
175.07542	6.5
175.11186	6.0
177.05484	4.9
177.12737	2.3
183.08012	3.2
183.11621	2.7
185.09566	5.0
185.13393	3.0
187.07527	9.2
187.11099	3.2
188.08302	2.9
189.05627	3.1
191.14250	2.8
197.09692	2.8
201.05431	3.4
201.09097	9.9
203.07002	7.4
203.10638	4.2
205.08521	4.2
207.06487	4.0
211.14691	3.0
213.09036	6.7
215.07060	13.8
217.08664	4.8
217.12094	3.4
219.06790	2.1
219.10126	3.1
225.12698	3.0
227.06975	3.8
229.08578	21.3
229.12196	9.5
230.09029	2.1
231.13718	2.4
241.08600	6.5
242.09399	2.8
243.10143	15.3
245.08238	2.6
245.11732	7.7
255.06424	2.9
255.13800	7.3
257.08066	8.8
257.11713	11.7
271.13300	76.3
273.14850	2.7
281.12018	3.6
283.13303	3.8
299.12790	70.8
300.12857	4.3
303.73679	2.4
311.12775	18.9
317.13824	77.7
329.13855	14.8
371.14804	3.9
423.17752	13.1
433.16202	4.5
451.17474	74.9
451.31097	3.1
469.18320	7.1
469.33270	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05510	12.2
55.35868	0.7
57.07073	35.6
59.04998	4.3
65.03940	2.7
67.05504	100.0
69.07067	9.6
69.94994	3.3
71.04988	4.1
71.08237	1.4
71.08630	26.5
79.05470	4.3
81.07051	30.8
83.08620	17.5
83.09120	1.0
85.06555	2.8
85.10183	13.3
89.06023	1.6
91.05473	5.4
92.83363	0.7
93.07046	3.4
95.05005	1.1
95.08607	26.8
97.10177	6.9
98.20723	0.9
99.08060	1.1
99.11749	1.2
107.08605	3.0
109.10154	80.8
111.08082	3.3
111.11744	1.6
119.08587	6.6
120.14817	0.7
123.11682	4.0
125.09699	0.7
135.00487	0.8
137.09625	3.0
137.13269	2.7
139.14864	0.9
151.14893	0.8
155.10637	6.3
169.64127	0.7
173.11734	22.2
173.13190	1.7
221.22784	1.6
239.23676	8.2
277.66147	0.9
467.37338	85.1
468.37787	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	469.132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99429	0.5
69.03463	0.6
70.06578	2.4
70.89175	0.7
70.93699	1.4
71.04976	0.6
73.02923	1.4
81.07083	1.5
84.04488	0.6
84.08125	1.1
85.02887	0.9
86.09697	1.5
88.66565	0.5
93.03429	0.8
95.04954	1.1
97.02922	0.7
100.11250	0.8
103.05467	0.7
110.07127	0.6
111.04430	2.7
119.04956	1.0
120.08096	5.7
122.70399	0.6
123.04442	4.4
127.03940	1.2
129.10268	0.7
130.06544	1.6
135.04401	2.0
136.07619	1.2
137.02345	1.5
137.05986	1.6
139.03925	5.7
147.04416	1.1
157.07678	0.9
163.03896	2.4
175.03693	1.3
179.03276	0.7
181.04950	2.2
183.06554	1.0
183.14859	0.7
191.03366	5.0
217.23491	0.5
229.06902	2.0
248.75821	0.7
259.06067	0.6
301.07172	2.8
317.08441	14.5
333.12247	1.0
337.09012	1.5
451.32593	0.7
468.29333	0.7
469.13165	100.0
470.13638	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	467.2101
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
56.65239	0.4
59.29611	0.4
69.15588	4.6
70.06563	0.6
78.57475	0.4
85.02915	0.8
93.41975	0.5
115.10143	0.5
123.04385	0.5
135.04485	0.7
137.02357	4.0
144.08095	4.7
153.01828	0.7
163.03941	1.2
165.01830	0.7
179.03391	1.0
183.02905	0.5
195.02942	0.9
219.02899	0.5
252.22122	0.5
297.06079	0.5
303.04858	0.6
305.05634	1.1
305.15714	13.1
383.07346	0.6
467.21039	100.0
468.21429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75029	1.4
54.27165	1.2
55.05509	12.0
57.06796	1.9
57.07077	38.3
59.04993	3.9
60.85182	1.2
61.57024	1.2
67.05506	100.0
69.07070	10.3
69.52226	1.2
71.04987	3.3
71.08633	26.7
71.50475	1.5
79.05486	3.8
79.28643	1.2
81.07056	26.6
83.08614	16.1
84.99906	1.2
85.06538	2.4
85.10179	14.3
89.06026	2.6
91.05480	6.6
93.07073	3.3
95.08610	28.2
97.10179	5.3
98.32450	1.2
105.07112	1.3
107.08595	2.7
109.10158	81.1
110.10422	1.4
111.08093	2.3
111.11729	1.4
119.08586	6.5
123.11700	3.9
133.08609	1.9
137.09622	4.7
137.13245	2.0
141.38115	1.4
148.63576	1.4
155.10692	5.1
173.11745	24.1
189.52022	1.4
201.16794	1.4
202.99164	1.5
239.23694	8.0
256.23825	1.6
323.77112	1.6
438.14847	1.4
467.37357	84.0
468.37692	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	467.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15117	0.6
55.01841	0.6
57.03430	0.6
64.46729	0.6
68.99792	1.7
69.03429	0.9
70.06589	2.4
72.08165	1.4
75.98177	0.5
79.53856	0.6
81.03419	1.0
81.70228	0.6
82.62653	0.5
84.04489	1.0
84.08144	1.0
84.49292	0.6
85.02906	2.7
86.09692	2.1
91.05489	0.9
98.21619	1.4
107.04948	2.1
109.02879	0.8
109.44350	0.7
110.06065	0.9
111.04482	0.7
115.05518	0.7
117.07024	2.4
119.04942	0.6
120.08099	1.0
121.02878	0.6
123.04427	1.8
124.07617	0.6
125.02378	0.7
135.04396	1.1
136.07550	1.5
137.01379	0.9
137.02354	12.6
137.03348	0.8
137.05956	0.7
139.03940	1.5
143.07288	1.5
144.08087	100.0
145.08414	1.3
147.04407	1.4
149.02338	0.6
151.03954	1.2
153.01871	1.6
157.07585	1.4
161.10751	11.9
163.03891	2.0
165.01875	2.5
177.01852	1.4
179.03363	2.8
191.03415	1.5
193.04965	1.2
195.02844	3.0
205.05011	1.1
215.03389	0.8
219.02905	2.3
261.03973	1.0
275.95029	0.7
279.05115	0.9
287.13843	0.7
297.06131	1.7
299.05634	2.1
305.05469	1.1
305.14548	0.9
311.05634	1.2
317.05682	1.7
329.06509	1.7
337.10501	0.8
383.07593	0.9
407.12143	0.8
413.08221	0.6
431.09433	1.1
467.21411	0.8
467.28369	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	466.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76763	1.0
55.05505	2.2
57.03426	1.1
57.04627	0.9
57.07079	100.0
59.04714	2.0
59.05002	32.9
67.05499	1.9
69.07075	1.4
69.50702	2.1
69.51096	6.8
71.08636	67.3
73.02921	31.6
73.19453	1.0
83.08611	3.1
85.10186	66.2
89.06036	3.3
89.77631	0.9
97.10165	3.9
99.11740	12.3
100.67612	0.9
100.89476	1.0
101.09660	2.3
102.82119	1.0
109.10156	2.2
111.11708	1.7
113.13276	5.6
117.09138	8.0
119.07792	0.9
119.08582	1.1
129.35820	0.9
133.08557	2.0
142.51021	1.0
151.09692	2.1
155.17947	7.5
161.08153	1.2
179.09201	1.4
199.20598	1.1
209.13945	2.6
213.22154	12.4
237.13324	1.6
271.26312	9.5
368.05472	1.2
421.35440	1.4
436.05411	1.1
465.53955	1.3
467.37149	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	466.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23454	1.4
55.05499	3.3
56.24930	1.2
57.03434	2.9
57.07077	100.0
59.05002	55.1
67.05500	3.7
69.07063	3.8
70.89674	3.3
71.08633	79.0
81.07029	2.3
83.08602	2.0
85.10186	64.2
89.05997	2.2
95.08606	3.1
97.10172	3.7
99.11727	12.8
101.05979	2.1
101.09666	2.3
103.07583	5.1
105.07012	1.5
109.10150	3.2
113.13284	4.4
115.07529	2.2
117.09139	20.5
155.17926	8.2
161.11705	3.2
213.22157	9.6
214.22823	1.6
271.26248	13.1
449.38321	2.9
466.35849	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	466.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
57.03429	6.5
57.07079	100.0
59.05003	86.9
64.90400	2.1
67.05499	3.0
69.07069	3.6
69.69419	10.7
71.08635	90.3
81.07037	2.4
83.08633	4.3
85.10187	93.6
89.06033	2.2
91.59608	1.9
95.08644	2.1
97.10154	2.0
98.20881	4.2
99.11710	10.0
99.85252	2.0
101.09669	2.3
103.07584	4.4
109.10153	5.2
117.09139	29.9
141.16382	9.5
175.13248	4.9
199.20647	12.3
257.24826	12.9
342.38742	2.0
449.38083	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	467.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01881	1.5
57.03435	2.4
64.87770	1.0
67.05496	1.2
68.99793	11.7
69.03423	1.3
70.06585	4.0
71.29347	2.5
72.08173	1.5
81.03419	4.6
83.04963	1.3
84.04507	1.5
84.08140	2.2
85.02908	9.9
86.09727	5.0
95.04971	2.1
97.02891	1.8
99.04483	1.0
103.03875	1.3
107.04963	1.4
109.02925	2.2
110.07168	1.7
111.04383	2.6
120.08105	1.1
121.02875	3.6
123.04436	5.2
127.03924	2.9
135.04422	3.3
136.07600	2.2
137.02350	100.0
137.03418	7.0
139.03894	5.1
144.08101	2.5
145.07594	2.5
146.06004	1.4
147.04343	2.1
149.02307	1.2
151.03917	7.5
153.01839	8.7
159.04774	1.4
161.90977	1.0
163.03914	5.7
164.07135	1.3
165.01854	15.5
165.05505	2.1
169.05011	1.7
171.02962	1.2
177.01828	9.7
179.03392	17.7
183.02887	4.8
189.05415	1.2
191.03387	9.6
191.52113	1.1
193.04950	6.4
195.02904	22.8
203.03490	1.6
205.04938	11.3
207.02931	1.3
217.04959	2.5
217.09703	1.3
219.00891	0.7
219.02878	19.1
231.02888	4.4
235.06058	3.6
249.03925	5.9
261.03952	7.9
269.03973	1.1
269.12701	2.6
279.04877	5.9
287.13895	8.1
297.06049	12.3
299.05521	7.7
305.14999	15.2
311.05576	6.6
317.05933	4.1
329.06573	16.2
347.07150	2.8
353.06595	3.3
371.07190	4.8
383.07413	6.4
395.07602	1.6
412.33942	1.2
413.08362	4.2
431.09296	4.5
449.10410	2.9
449.19135	1.3
467.20056	1.7
468.67816	1.1
487.75818	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01877	1.0
55.05512	1.7
57.03428	3.8
57.07072	0.8
59.05000	0.6
61.02930	3.2
62.64519	0.6
67.05508	8.0
69.03430	5.6
69.07064	3.1
70.06593	1.3
71.01361	1.4
71.04986	1.6
71.06892	1.7
73.02915	12.7
75.72993	0.6
79.05493	9.8
81.03410	0.8
81.07056	100.0
82.07391	0.8
83.08622	1.3
84.08169	0.9
85.02908	15.0
85.06528	1.1
86.09691	0.9
91.03986	0.8
91.05492	2.6
93.07033	5.3
95.04959	1.3
95.08609	13.8
97.02895	10.0
99.04527	0.7
100.65504	0.7
105.07012	1.5
107.08583	1.7
109.02893	1.2
109.06516	1.4
109.10146	1.8
111.08128	0.9
115.03928	4.6
117.07014	1.3
120.08081	1.1
121.06548	0.7
121.10162	1.4
123.04419	1.5
127.03944	5.4
131.08559	1.0
133.04973	5.9
133.10138	1.4
133.91304	0.8
135.08035	0.8
137.12210	0.9
137.13261	17.8
145.04967	6.8
149.13289	3.4
153.12714	1.2
159.11711	1.9
161.13286	0.7
163.06049	2.0
177.12782	1.4
180.54001	0.7
195.13890	1.4
214.50764	0.6
217.21872	0.7
223.06122	0.7
241.07133	1.8
254.14775	0.9
259.08224	1.2
269.17477	22.9
446.54684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01877	6.0
55.05510	2.6
57.03437	13.7
57.07066	2.2
59.04996	1.8
61.02926	14.4
67.05507	10.9
69.03431	31.2
69.07057	6.3
70.06589	5.0
71.01367	5.3
71.04982	3.1
71.50191	1.4
73.02920	81.1
79.05499	7.1
81.03410	5.5
81.07056	63.3
81.07447	0.7
83.01312	1.2
83.08613	3.5
84.04520	1.7
84.08157	2.2
85.02908	70.9
86.09698	4.5
87.04459	3.2
91.03959	2.0
91.05451	3.9
93.07059	6.1
95.04964	2.8
95.08611	38.5
97.02891	46.3
97.10160	2.4
99.04450	3.9
103.03953	4.1
105.07034	2.6
107.04949	1.3
107.08607	4.5
109.02258	1.3
109.02854	7.0
109.06499	1.5
109.10158	3.9
111.04440	2.5
115.03941	21.8
119.08601	2.1
120.08132	2.8
121.06576	1.2
121.10152	2.0
123.04436	4.6
123.11736	5.7
125.13280	1.7
127.03921	22.8
129.10243	1.5
133.04974	25.5
133.10187	1.6
135.11729	2.4
136.07512	1.5
137.13263	100.0
139.14812	1.5
145.04962	33.9
145.10120	2.2
147.04420	1.2
147.11757	2.4
149.13274	3.1
150.07623	3.4
151.03879	1.6
155.14378	3.0
159.11739	2.7
161.13261	2.5
163.06041	14.7
165.12924	1.6
167.14342	1.8
173.13274	1.2
175.06119	1.7
177.12724	1.2
191.03473	2.7
191.14320	1.6
193.05032	1.8
209.15512	1.8
214.30469	1.2
215.14209	1.2
217.07039	1.5
223.06056	7.1
233.15283	1.6
241.07120	6.0
251.16437	4.1
259.08154	11.1
263.16525	3.1
269.17642	7.3
269.20074	1.7
277.09067	1.3
281.17386	3.6
287.18542	2.7
295.10330	3.7
299.18607	5.0
312.18085	1.2
317.19608	8.6
427.51657	1.3
466.27048	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	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87346	0.6
50.97656	0.5
52.66105	0.5
55.01866	0.6
55.93517	0.7
57.03431	1.5
61.02917	1.7
63.44408	0.6
69.03419	2.9
70.06567	1.1
71.48441	0.7
72.08115	0.6
73.02917	9.5
81.03425	0.9
84.08134	0.7
85.02909	4.5
94.04183	2.9
97.02888	3.5
97.18718	0.7
105.07025	2.2
109.02898	0.8
115.03928	2.0
122.03652	5.1
122.09673	1.2
127.03934	1.9
133.04985	2.1
136.07594	0.8
137.05983	100.0
138.06355	1.2
145.04985	2.0
147.04356	1.1
152.10680	0.7
153.28529	0.7
163.03926	2.0
261.03864	0.6
290.16147	1.0
316.05475	1.7
326.15860	0.7
345.22101	0.6
346.06473	1.4
366.91589	0.6
370.06320	0.8
448.09512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05515	0.7
65.03936	0.6
67.05500	1.7
69.03417	0.8
69.07059	0.7
69.43887	0.9
69.44284	3.8
70.06591	1.4
71.04978	0.6
79.05494	1.6
81.07062	2.1
86.09717	0.8
91.05484	1.6
93.07050	1.2
95.04955	1.4
105.07024	1.0
107.08578	1.2
109.10154	0.6
117.07027	0.6
119.85898	0.6
120.08082	0.7
134.06001	1.1
135.09238	1.1
144.08118	1.0
148.07573	1.3
158.09686	0.6
159.09180	0.7
160.07614	0.9
161.07109	1.6
163.08662	8.3
164.07123	0.7
166.08682	0.9
172.07608	1.2
174.07838	0.6
179.08122	1.3
182.08165	1.2
183.09175	1.3
184.09901	0.8
185.10799	0.7
187.08752	0.9
189.10234	3.3
197.10722	2.9
198.09172	0.7
199.08701	2.4
200.09505	0.9
206.08208	0.6
209.10751	1.1
211.08643	3.4
212.09355	3.7
213.10268	2.4
214.10899	0.6
215.11702	0.7
216.10225	1.8
218.08348	0.6
224.09309	1.2
225.10228	6.9
226.10970	4.1
227.11839	2.5
230.11705	2.9
237.10181	2.3
238.11176	1.8
239.11766	5.1
240.12502	1.5
241.13347	1.4
242.10507	0.9
245.10474	1.2
253.09851	1.1
255.11215	1.0
258.11322	1.5
259.10861	2.7
267.11346	1.3
268.09680	1.2
270.09973	2.0
271.10706	3.0
272.11523	0.8
273.12329	1.2
276.12103	0.9
279.11261	0.7
283.10846	2.3
284.11414	3.0
285.12384	12.9
285.15262	0.5
287.11868	1.0
289.13724	0.9
290.12909	0.8
297.12253	4.7
298.13086	0.8
299.13934	0.9
301.12262	0.8
302.13846	1.0
303.14178	0.8
304.11707	12.3
304.14606	1.3
305.11755	0.8
315.11383	0.9
316.11343	0.7
317.11713	1.7
318.12366	3.9
318.16003	1.2
319.13092	5.5
320.14124	0.7
329.12778	1.6
330.13452	1.7
331.12860	2.9
332.13916	7.9
332.17361	1.0
333.15045	3.3
334.15521	1.2
343.12958	4.0
344.12689	0.7
345.14502	0.7
346.15433	3.7
347.16342	1.3
360.17041	1.0
364.16580	2.0
371.14066	0.8
376.13043	1.0
378.14374	3.6
378.18564	1.0
388.16486	2.1
389.15021	4.2
390.14539	2.1
391.15274	7.1
392.15768	3.3
393.16687	2.9
404.15326	1.4
404.20081	1.0
406.17575	12.7
407.17911	1.7
420.19455	0.7
430.17593	0.9
431.16144	0.7
438.20114	0.8
448.18790	3.7
449.17310	3.7
451.17068	3.6
466.19727	100.0
467.14066	0.7
467.19962	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
57.03424	1.3
57.07077	100.0
57.87600	0.7
59.04716	1.4
59.05003	25.6
67.05512	5.4
69.07050	3.2
71.08633	71.5
71.50196	1.2
79.05505	1.5
81.07057	3.6
83.08612	2.9
85.06540	0.9
85.10183	60.6
86.10497	0.9
87.04475	1.5
89.06033	39.2
93.07021	1.5
95.08604	3.8
97.10163	3.2
99.11734	10.8
101.09653	1.0
103.07545	1.0
105.07095	0.7
107.07016	0.9
107.08612	1.8
107.88086	0.8
109.10142	3.4
113.13257	2.7
117.09145	5.3
121.10124	1.4
131.08601	0.8
133.08603	15.1
137.09563	0.8
138.44936	1.0
145.10081	0.8
147.10161	1.0
151.07564	1.0
155.17946	2.7
165.09224	0.9
177.11256	6.0
194.96968	0.7
195.12300	10.5
213.22102	4.1
232.08316	0.8
253.16695	1.1
283.17621	1.5
465.29788	0.9
465.35690	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	465.394
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
53.03942	2.8
55.01866	1.8
55.05270	1.8
55.05513	20.7
57.03426	1.4
57.07076	13.1
59.04995	1.4
65.15764	1.1
67.05506	15.2
69.03418	1.9
69.07072	25.7
70.09747	2.7
71.08637	6.7
74.55098	1.1
75.46829	1.1
79.05488	5.5
81.07057	19.2
83.04984	1.9
83.08623	20.8
85.06557	2.4
85.10184	3.5
89.06030	8.5
91.05474	6.4
93.07050	10.1
95.04971	3.3
95.08609	21.6
97.06505	1.3
97.10178	18.3
98.20853	1.6
105.07033	9.6
107.08610	6.2
109.06535	2.2
109.10164	16.6
111.08092	6.9
111.11756	3.3
115.36710	1.2
115.67107	1.3
117.07077	2.4
119.08585	13.4
121.06509	4.2
121.10143	7.4
123.04450	6.3
123.08092	7.2
123.11705	7.1
125.09628	1.9
131.08603	1.9
133.08609	6.1
133.10112	7.8
135.08069	3.2
135.10487	1.0
135.11664	5.8
137.06015	2.3
137.09624	16.7
137.13281	3.6
139.07552	27.4
139.11176	1.4
143.08669	1.3
145.10162	3.5
147.08075	2.4
147.11731	2.4
147.20636	1.2
149.09636	2.0
149.13254	3.4
149.18030	1.2
149.93674	1.1
151.07556	14.8
151.11177	7.1
153.09167	5.6
159.11723	2.4
161.09619	1.1
161.13295	2.4
163.07558	1.4
165.09113	48.0
165.12781	4.4
173.13319	2.3
175.07573	1.2
175.11195	2.0
175.14815	1.4
177.09114	1.8
177.11244	1.3
179.10701	1.6
179.14290	5.4
183.10173	1.7
189.09143	1.8
189.16452	1.5
191.10771	3.6
193.12311	2.2
193.15904	4.4
205.15944	1.2
207.17479	1.6
217.12190	1.3
255.43860	1.3
307.14368	1.4
345.27750	1.5
401.37766	2.8
419.38937	5.7
421.36984	1.4
429.37219	8.6
437.66031	1.2
447.38354	48.7
448.38806	1.6
448.68137	1.2
465.39487	100.0
466.39813	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	465.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.05515	25.5
57.06821	3.4
57.07072	31.5
58.07405	2.1
59.04992	13.4
60.15295	2.2
67.05504	45.0
69.07069	28.4
69.46637	16.2
71.04978	3.1
71.08632	17.5
79.05492	25.5
81.07053	92.1
83.04965	3.0
83.08611	13.3
85.06529	16.8
85.10177	15.0
89.06052	2.1
91.05476	21.8
93.07037	53.4
95.04974	2.5
95.08607	70.1
97.06514	4.0
97.10166	9.2
98.21509	2.9
99.04458	8.3
101.06030	6.2
105.07029	51.7
107.08588	66.8
109.06530	6.4
109.10160	48.3
111.11717	3.5
117.06993	4.7
117.09092	2.7
119.08579	48.3
119.09380	3.9
121.10132	42.2
123.11693	21.8
127.07557	8.1
129.06927	3.1
131.08578	19.5
133.10110	33.3
135.11685	25.0
137.09546	3.0
137.13271	3.5
142.07774	3.5
143.08580	9.6
145.10106	26.4
147.11676	31.5
149.09654	6.1
149.13251	31.5
155.08563	2.8
156.09233	3.4
157.10155	19.8
159.11684	39.8
159.12906	3.6
160.12079	2.7
161.13269	22.5
163.11261	2.8
163.14784	16.6
167.10730	5.4
169.10136	6.0
171.11693	14.6
173.11890	3.6
173.13231	19.7
175.11227	2.9
175.14825	14.4
177.16438	6.1
183.11681	3.9
185.13298	7.4
187.14845	21.3
189.12755	3.1
189.16383	13.2
191.17973	4.3
193.12111	3.4
195.13806	4.1
197.13293	3.0
199.14844	8.4
201.16393	13.6
203.17888	10.2
207.13885	3.6
211.14917	4.4
213.16434	14.0
215.17949	16.8
217.19431	11.3
221.15422	3.2
225.16443	4.6
227.17911	17.0
229.19551	7.4
231.21114	3.7
235.16791	4.6
239.17863	2.3
241.19530	6.2
243.21030	2.9
249.18517	5.3
255.21101	7.0
257.22617	12.9
261.18500	3.3
267.21051	2.9
269.22650	4.9
273.18607	2.9
283.24298	6.1
295.24249	3.6
297.25549	2.5
315.23358	3.0
322.39355	2.1
337.28693	2.8
351.30389	5.4
355.26608	2.6
465.37210	100.0
466.37329	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.8
57.03428	2.1
57.07062	6.3
59.05006	2.2
65.03908	1.7
67.05509	21.0
69.03408	2.1
69.07076	14.4
69.53851	5.1
69.54271	7.9
71.08621	3.6
79.05475	5.9
79.87679	1.9
81.07059	17.5
82.65741	1.9
83.08611	4.6
85.06542	6.0
85.10162	1.9
89.06007	2.5
89.24095	2.0
91.05476	8.4
93.07047	14.1
95.04948	2.6
95.08608	22.7
97.10184	4.2
99.04439	2.4
105.07041	14.0
107.08598	17.6
109.06509	2.5
109.10163	14.6
116.07058	3.4
117.07019	3.4
119.08580	14.3
121.10153	10.0
123.08070	10.1
123.11689	2.7
130.57169	2.0
131.08574	4.8
133.08617	2.4
133.10126	13.4
135.08067	6.2
135.11687	6.6
137.09602	2.1
143.08560	2.8
145.10112	13.2
147.11691	8.8
149.09666	2.4
151.07553	100.0
157.10205	4.3
158.37033	1.9
159.11681	6.3
161.13304	3.0
163.07550	2.4
163.11176	4.0
165.09138	5.3
171.11696	4.5
171.13820	2.6
173.11708	2.8
173.13219	2.8
175.07526	4.2
175.14835	2.6
177.09064	11.9
185.13358	2.7
187.11131	2.3
187.14789	2.9
189.09091	14.5
191.10689	23.7
193.12303	2.8
197.13295	2.1
199.14928	3.8
201.09143	3.7
201.16353	3.5
202.09843	1.9
203.10635	10.3
205.12138	4.7
213.16467	2.2
215.10645	3.6
217.12221	4.9
219.14026	2.3
229.12202	3.8
241.12141	3.3
243.13797	2.5
255.13829	4.9
257.15274	4.8
259.16916	3.2
281.15506	2.5
301.21542	4.0
315.23019	3.1
325.21640	2.3
351.23386	3.0
402.08920	2.1
409.59561	2.2
429.27826	2.5
447.38629	2.3
465.29926	43.8
465.36038	8.8
488.05609	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
53.48566	1.6
55.01875	5.7
55.05510	23.2
57.03436	16.6
65.03934	5.9
67.05508	65.0
69.03423	2.2
69.07069	19.8
70.06590	4.2
71.01358	4.9
71.05003	6.2
71.49784	2.5
79.05495	58.6
81.03423	30.9
81.07056	53.5
83.04984	15.2
83.08630	22.4
84.08165	2.7
85.02912	14.3
85.06548	5.3
86.09711	3.6
91.04910	2.9
91.05479	53.5
93.07045	52.6
95.04971	100.0
95.08602	23.5
97.06541	13.9
97.10168	11.9
99.08086	4.0
105.07033	29.8
107.04340	2.3
107.04947	14.3
107.08596	30.7
109.06529	13.2
109.10162	14.4
111.04431	3.5
111.08085	9.1
117.07024	14.0
119.08591	24.4
121.06490	12.4
121.07917	2.0
121.10163	14.2
123.08068	6.5
123.11735	3.7
124.89320	1.9
125.05960	2.8
125.09626	5.9
129.07016	7.7
131.08546	16.6
133.10133	21.4
135.08057	8.2
135.11694	33.8
137.06003	3.0
137.09686	4.2
143.08582	3.3
145.10112	15.6
146.10437	2.2
147.08076	6.2
147.11687	10.5
149.09659	5.6
149.13287	2.6
151.11212	3.6
157.10149	8.0
159.08055	3.9
159.11734	11.0
161.09686	3.3
163.11183	15.8
165.12749	2.5
166.62096	2.3
173.11790	3.2
173.13257	2.4
175.11185	10.1
177.12750	6.0
181.12210	5.9
183.11731	2.4
187.11150	9.2
189.11186	4.5
191.14400	2.4
193.12250	32.0
205.12263	8.2
211.13303	30.9
213.74004	2.2
219.13800	6.1
223.13319	17.1
227.12712	3.6
229.14297	3.1
240.43594	2.4
255.15973	3.1
257.04428	5.4
261.14825	2.7
267.16028	5.3
279.16025	2.5
286.04791	2.9
303.05133	4.6
315.04871	2.6
329.21216	5.9
337.21420	2.4
355.22623	13.7
373.23703	28.5
421.25882	2.6
447.27377	15.2
465.11649	7.3
465.28485	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	465.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.0
55.05518	22.4
57.03437	8.0
57.07077	10.4
63.00453	1.1
65.03912	1.3
67.05501	11.6
69.07070	27.3
71.04982	1.2
71.08617	5.1
71.50047	1.7
73.02923	7.9
74.48745	1.1
79.05490	8.5
81.07069	14.1
83.04974	2.6
83.08624	22.8
85.10191	3.4
86.00825	1.2
90.84930	1.3
91.05473	3.3
93.07045	6.4
95.04987	1.4
95.08624	9.6
97.06509	2.1
97.10175	12.9
98.98470	53.4
105.90141	1.3
107.08633	6.5
109.10163	4.6
111.11720	3.9
121.10157	6.7
123.11674	1.8
129.05476	4.7
133.10153	1.7
135.11693	4.2
137.00024	3.9
137.13269	2.0
139.31285	1.2
149.13210	1.4
155.01044	45.4
168.96416	1.2
211.03746	1.5
219.21075	2.5
229.04742	2.7
237.22150	10.9
303.04874	1.5
311.25815	100.0
312.26108	1.7
315.04984	1.5
351.53070	1.4
447.25110	14.5
465.18939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27711	1.0
53.03941	1.5
55.01867	2.6
55.05502	5.3
57.03436	2.8
57.34517	0.8
61.02930	1.8
65.03941	1.0
67.05505	9.4
67.63957	1.0
69.03423	3.5
69.07056	6.8
70.06592	6.5
71.04990	2.6
71.50410	1.0
72.08136	2.2
73.02921	3.3
79.05499	7.9
81.03422	2.6
81.06592	1.8
81.07057	26.6
83.04980	2.6
83.08611	4.4
84.04505	1.0
84.08142	3.3
85.02894	5.0
85.06534	2.6
86.09701	5.8
87.81143	1.0
91.03935	1.5
91.05481	11.6
93.07048	12.2
94.07379	2.9
95.04958	3.4
95.08614	6.7
96.07999	0.9
97.02904	3.3
97.06528	2.1
99.08125	0.9
100.07648	1.2
100.11261	1.8
105.07030	10.7
107.04967	1.2
107.08614	10.0
108.08942	3.8
109.02915	2.6
109.06516	2.4
109.10150	2.7
111.04448	2.7
114.10374	1.1
115.03942	1.2
119.04979	1.3
119.08588	10.0
120.08084	2.5
121.10152	7.4
122.06030	1.3
123.04444	6.0
123.08080	1.9
123.11726	8.6
124.07649	0.9
127.03921	2.3
133.04979	1.4
133.10130	3.7
135.11690	3.0
136.07602	2.4
136.12029	1.6
137.02327	1.2
137.13254	2.0
145.04956	1.6
145.10132	1.3
147.04436	2.5
147.11696	22.3
153.05495	1.2
157.10173	1.5
161.05977	1.6
161.09612	1.2
163.03954	1.0
163.07687	0.9
164.07080	3.4
165.05544	1.3
165.12733	10.2
168.13931	1.4
175.11040	1.0
175.14769	0.9
177.05562	1.3
182.15431	3.2
183.13821	2.2
196.13341	2.8
201.05258	1.1
203.03423	2.1
210.14957	3.1
216.07579	9.8
217.08389	10.1
226.19267	0.9
227.05301	1.7
229.05241	1.0
229.14394	4.5
257.04385	1.2
267.15924	17.6
267.18604	1.2
271.04395	4.1
285.16986	41.0
295.23792	1.3
297.04187	0.9
303.05014	2.3
313.10754	2.1
315.05063	1.2
325.10577	0.9
326.96268	1.1
337.20969	1.1
355.08362	1.1
379.13544	6.1
403.13672	1.8
421.14706	44.4
422.15057	1.7
422.30188	3.7
429.08105	1.0
447.10370	1.5
465.13730	100.0
466.13931	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	465.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36771	2.7
53.03924	2.6
55.01865	3.1
55.05502	5.2
60.44593	3.4
61.02929	3.8
62.46877	3.0
67.05499	9.0
68.99756	3.2
69.03421	8.7
69.07054	3.5
70.06589	26.1
71.29668	4.4
72.08138	4.5
79.05481	10.3
81.03410	8.5
81.07049	9.7
84.08142	17.7
85.02901	9.8
85.06543	5.4
86.09694	13.8
91.05478	15.2
93.07028	12.6
95.04969	7.3
95.08592	6.1
97.02903	5.8
103.05466	7.5
104.65209	3.3
105.07035	5.9
107.04971	21.0
107.08619	6.8
109.02919	4.2
109.10149	5.6
110.07138	4.9
111.04449	4.0
115.05474	3.1
117.07034	3.3
119.04946	7.7
119.08564	9.1
120.08116	12.9
121.06509	11.4
121.10088	4.3
122.06038	5.8
123.04425	42.3
123.11684	4.1
127.03925	7.3
128.06189	3.3
129.07007	10.9
129.10254	10.6
131.04913	4.3
131.08560	10.0
133.10106	9.5
135.04376	4.5
135.08086	4.8
135.11687	5.7
136.07640	5.6
137.02356	7.8
137.05972	12.7
137.25104	3.0
138.05472	14.9
138.09146	8.8
140.04706	5.1
145.10066	4.1
146.07195	3.9
147.04410	9.5
149.06039	4.2
150.06723	3.2
151.03925	8.5
151.07565	9.6
153.01834	7.5
153.05440	7.4
155.07066	11.0
157.06471	9.6
161.06003	25.2
161.09590	7.0
163.03981	4.5
163.07521	8.9
164.07077	5.6
165.01733	3.4
165.05482	12.3
165.06856	3.9
165.09129	5.6
166.05000	22.7
166.06265	6.5
167.07047	49.2
174.06737	9.6
175.07547	11.2
181.08607	37.2
183.08107	3.1
189.09094	46.3
191.03543	5.0
191.06989	5.7
191.08643	3.2
193.06499	3.1
197.09660	3.6
203.03474	3.4
207.10153	7.2
219.10085	20.8
223.07510	4.8
225.05452	3.6
225.09236	4.0
238.99863	3.4
253.08571	7.1
256.08249	4.6
257.04388	3.6
257.12866	7.4
271.06052	7.7
272.11496	8.7
274.09503	5.9
279.10150	3.8
283.09781	4.7
285.12262	22.0
288.05313	6.2
301.07144	7.7
302.07407	6.7
303.04935	40.0
303.07834	11.9
303.13373	100.0
311.12613	4.0
313.18170	3.6
315.04755	5.1
315.12247	8.9
317.10434	6.0
317.13867	17.5
327.12573	3.9
329.13507	4.4
331.15195	3.9
343.15417	15.3
355.08469	3.9
359.14636	6.2
360.15793	15.2
361.16431	51.6
401.70767	3.6
435.20068	5.1
465.11786	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	465.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.05272	1.1
55.05514	16.7
57.07080	25.9
65.03930	1.8
67.05500	7.3
69.07052	1.9
70.09509	3.5
70.31061	0.7
71.04989	14.8
75.00027	6.3
77.03934	1.9
78.99500	2.4
79.05487	3.8
81.03410	0.9
81.07052	4.3
83.04980	66.1
83.08618	1.0
84.99227	0.8
85.06564	1.5
88.78207	0.7
89.01568	1.9
91.05475	8.2
93.07040	3.6
95.04969	4.0
95.08603	1.5
97.00540	10.8
97.06567	0.9
98.98449	3.3
101.06033	7.0
101.95058	0.7
105.07019	3.2
107.08589	3.2
107.81279	0.7
109.06526	0.9
109.10152	1.9
111.57476	0.7
115.05484	0.9
117.01031	46.3
117.07104	1.5
119.02599	1.4
119.08562	2.7
121.10123	1.7
128.06219	3.4
129.07027	4.6
131.08580	1.0
133.10138	2.5
135.02065	1.7
135.11726	2.0
141.06973	2.4
145.02834	1.5
147.02063	20.4
147.08035	2.3
147.11674	13.0
149.03653	2.8
151.01660	0.9
157.07622	1.9
161.03625	1.0
165.03101	12.3
175.01558	100.0
176.01945	1.0
177.05510	2.5
179.04691	3.1
181.02602	30.4
187.01553	1.1
193.02592	1.1
193.12274	1.6
219.53499	1.0
227.04665	9.4
231.07817	9.3
239.04727	1.3
241.06306	2.4
275.06772	13.1
303.04926	1.4
313.12003	6.1
321.02872	6.2
331.13037	76.1
332.13379	1.7
335.72174	0.8
347.08121	1.2
369.18237	9.4
377.09161	25.6
387.19299	59.5
388.19727	2.0
409.06677	1.6
409.11740	12.8
418.02405	0.8
433.15399	95.9
434.15796	2.9
447.16986	3.6
465.18036	38.1
465.28674	2.5
466.18329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	0.6
53.32380	0.2
55.01866	0.7
57.03441	1.0
60.16941	0.2
61.02675	0.1
61.02930	1.3
65.03929	0.4
68.99780	0.5
69.03094	0.2
69.03431	3.3
69.53664	1.1
70.06594	0.8
70.43073	0.2
71.04974	0.5
72.08144	0.4
73.02905	0.6
79.68899	0.1
81.03423	1.6
81.09927	0.2
84.08144	0.4
85.02908	9.8
86.09702	1.3
87.04453	0.6
91.03947	0.6
91.05460	0.2
93.03390	0.4
95.04958	0.5
97.02894	3.5
99.04461	0.6
105.07052	0.2
109.02867	1.2
110.86617	0.2
111.00816	1.1
118.02606	0.2
118.95435	0.2
119.04935	0.2
120.08112	0.9
121.02897	1.1
123.04436	0.7
127.03911	1.8
127.32843	0.2
128.04019	0.1
129.10196	0.3
130.06523	0.2
135.04369	0.3
137.01364	0.3
137.02347	3.5
137.03383	0.2
139.03795	0.2
145.04964	1.8
145.06546	0.3
147.04352	0.2
149.02336	0.6
151.03862	0.3
153.01831	4.6
155.04900	0.2
155.06058	0.2
161.06000	0.7
162.05467	0.2
163.03897	0.9
165.00752	0.2
165.01854	2.0
166.02603	0.4
173.05981	0.7
181.08630	0.3
183.02951	1.1
183.04362	0.3
187.03889	0.6
191.03433	0.2
195.02888	0.5
197.07056	0.3
201.05490	2.1
205.04973	0.2
207.10194	0.3
211.03917	0.3
219.02742	0.2
219.06517	0.4
228.04164	0.3
229.04965	5.2
245.04491	0.2
247.06129	0.9
257.04453	3.5
274.04810	0.8
285.04010	1.3
285.08640	0.4
302.04169	0.2
303.04996	100.0
304.05316	1.8
315.04892	1.1
315.08151	0.2
327.04849	0.2
345.06152	0.6
369.06171	0.3
398.61267	0.2
399.07291	0.2
434.14923	0.2
464.26147	0.2
465.17841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1182
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
54.27923	0.4
55.05494	1.2
57.03422	0.4
63.45120	0.4
64.15781	0.3
65.03943	0.7
67.05508	4.3
69.03411	0.4
69.07057	0.8
70.06591	0.4
70.94007	0.9
79.05490	3.3
81.03405	1.6
81.07053	3.4
83.04984	0.9
83.08611	0.8
85.02892	0.5
88.06448	0.3
88.59695	0.3
91.05487	4.6
93.07045	3.1
95.05004	2.4
95.08591	0.9
97.06542	0.8
97.10161	0.6
102.04663	1.2
103.05490	0.7
105.07061	1.9
107.04957	1.2
107.08591	1.6
109.06506	0.9
109.10191	0.9
110.03644	1.1
111.08074	0.5
115.05434	0.7
117.07012	0.7
119.04952	2.2
119.08585	1.1
121.06505	0.8
121.10162	0.6
123.04427	1.8
124.05220	0.5
130.04146	1.4
131.04935	0.8
131.08574	0.8
133.06465	0.4
133.10144	1.3
135.04417	0.8
135.08060	0.6
135.11687	2.0
136.05179	1.4
137.02328	0.9
137.05980	1.6
145.02824	0.6
145.10147	0.4
146.03621	2.9
147.04420	3.9
147.11725	0.6
148.05209	4.2
151.11208	0.5
153.01831	4.3
157.10121	0.8
159.11780	0.4
161.05943	2.9
162.06752	0.9
163.03891	1.2
163.11237	0.9
172.40883	0.4
173.09604	0.4
175.11243	0.4
182.83247	0.4
187.11122	0.4
193.12294	1.1
203.03387	6.0
211.13264	0.8
213.05481	0.4
219.13744	0.5
229.04984	5.1
241.05133	0.9
242.05748	12.0
253.04971	4.0
255.06532	0.5
257.04459	46.7
258.05231	16.8
259.05875	0.6
268.33392	0.4
269.04504	2.0
270.05310	1.7
271.06070	1.4
285.03949	7.8
286.04724	31.6
287.05518	15.5
295.05969	0.7
297.03973	5.3
299.05396	2.2
303.05075	0.5
311.05380	0.5
313.07043	0.5
327.04996	1.6
327.08652	0.5
331.00049	0.4
341.06577	1.2
355.08179	0.8
359.09164	0.4
373.07162	0.6
373.23529	0.7
375.08682	0.6
389.06653	0.9
391.07971	0.5
403.08023	1.4
414.07281	0.5
415.08255	0.5
432.08514	2.5
435.10715	4.9
447.10782	15.0
447.27356	0.9
465.11832	100.0
465.28220	2.4
466.12073	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	465.1032
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
55.01847	2.5
70.03002	6.1
70.03382	3.0
73.25565	1.3
79.01838	3.5
81.03420	3.4
85.02906	6.6
109.02908	1.8
121.02877	1.8
123.04443	8.1
133.02832	7.9
137.71082	1.4
138.03120	2.1
150.03119	7.0
151.03897	19.9
153.01851	21.2
163.03856	2.3
165.01877	6.8
167.03423	10.7
177.01790	8.3
177.05412	2.6
179.03424	10.8
183.02927	1.7
191.03421	5.4
195.02910	19.6
205.04932	8.0
217.05011	5.6
219.03015	2.4
231.68451	1.6
241.04980	2.2
243.02956	3.0
259.06174	3.6
261.04010	3.9
298.04816	1.9
299.05402	3.2
303.05145	3.0
315.04999	84.2
316.05743	28.9
327.04980	16.1
329.06577	16.2
339.04929	2.2
341.06555	3.2
343.04575	4.2
345.06061	100.0
353.39130	1.8
355.04245	3.2
355.08060	17.7
357.06104	4.8
369.06107	24.9
375.07086	8.3
381.06216	2.8
383.07809	7.1
387.07300	2.2
393.05862	3.4
399.07098	21.7
401.08807	1.5
411.07126	12.4
429.02374	3.0
429.08167	44.0
429.13806	2.7
447.09293	64.9
448.09964	2.6
464.05264	1.8
465.10312	96.8
466.10709	3.1
475.34015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01871	0.8
57.03426	1.0
63.28380	0.6
68.99794	1.1
70.85900	1.8
81.03358	1.3
85.02918	3.5
93.03371	0.8
94.73067	0.7
97.68349	0.6
99.07170	0.8
105.03349	1.4
109.02868	1.4
121.02869	2.9
123.04416	1.9
133.02852	4.2
137.02373	1.5
141.01797	1.7
149.02332	2.9
149.93161	0.7
150.03140	2.2
151.03908	9.6
153.01811	10.6
161.02338	0.8
163.03911	5.4
165.00415	1.3
165.01828	23.8
167.03416	5.6
175.03857	0.7
177.01851	7.3
179.03403	1.8
183.02859	3.7
187.03914	2.9
191.03383	9.3
195.02899	7.0
203.03369	2.1
205.04964	4.5
207.02922	1.1
215.03273	1.6
219.02882	1.0
231.02899	0.8
239.41202	0.7
243.02945	2.6
261.04016	2.1
271.05811	0.9
287.05283	0.9
299.02509	0.9
299.05399	4.1
302.04202	3.4
303.05011	4.9
311.05585	1.2
313.06976	4.9
315.04980	100.0
316.05753	7.6
325.06976	0.8
327.05026	6.9
327.08426	1.4
329.06458	2.2
337.07315	0.8
339.05026	1.6
340.05673	2.7
341.03101	1.3
341.06558	16.8
343.04199	0.8
345.06055	63.5
346.06354	1.3
353.06531	2.2
355.03918	1.2
355.08124	16.2
365.06726	2.4
369.06064	35.9
381.06042	11.9
383.07639	2.6
393.06070	7.4
399.07150	21.3
411.07120	19.1
429.02359	1.2
429.08197	23.0
447.09329	15.2
465.10324	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	465.1032
Annotation	Isoaffinetin
Peak:m/z	Relative Intensity
55.01859	1.5
57.03428	1.3
68.99791	2.4
69.61408	4.2
69.61815	3.4
81.03407	1.6
85.02901	3.6
87.84246	1.2
88.23965	1.1
96.55943	1.3
98.21503	2.1
109.02900	2.7
121.02875	2.3
123.00684	1.6
123.04433	5.8
133.02870	3.8
149.02316	3.3
150.03122	2.5
151.03922	12.2
153.01819	8.4
163.03885	5.4
165.01848	24.2
167.03435	4.6
177.01819	10.0
177.05421	1.7
179.03473	1.8
183.02893	3.3
183.94853	1.3
187.03949	1.7
187.13910	1.8
191.03383	12.2
195.02885	9.7
203.03398	1.8
205.04973	5.3
215.03520	2.1
228.67366	1.4
261.03940	3.8
280.89529	1.4
299.05569	4.4
302.04214	1.6
303.04938	4.6
313.07077	4.0
315.04996	100.0
316.05643	5.2
327.05139	7.6
327.08591	2.1
329.06537	2.6
337.07242	1.8
339.04999	2.3
340.05804	3.3
341.02896	2.5
341.06564	17.2
345.06058	72.8
347.28745	1.6
355.08121	15.1
365.06561	4.3
369.06076	45.3
381.06052	12.0
383.07690	3.6
393.05963	7.1
399.07101	24.0
411.07104	24.0
429.08209	26.4
447.09274	17.7
465.10165	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	465.103
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
51.45588	0.2
55.01872	0.4
57.03422	0.2
65.03928	0.3
68.99789	1.0
69.03443	0.4
70.06584	0.9
70.46297	0.4
72.08147	0.2
73.02924	0.3
76.18697	0.2
81.03417	0.6
84.08127	0.5
85.02889	0.7
91.05441	0.2
93.03391	0.6
95.04958	0.5
97.02856	0.3
103.74896	0.2
105.03419	0.3
109.02862	0.8
111.00782	1.2
121.02854	1.7
123.04421	1.8
127.03885	0.5
131.04990	0.3
133.02875	0.7
135.04411	0.6
137.02341	4.1
137.03355	0.2
141.01857	0.2
144.08080	0.5
145.06487	0.3
149.02368	1.0
150.03090	0.5
151.03909	1.9
153.01830	7.2
155.04922	0.3
161.06059	0.4
163.03873	1.7
165.01836	6.3
166.02620	0.7
167.03444	0.8
173.05943	0.6
177.01807	1.4
177.05505	0.6
179.03453	0.4
183.02919	1.6
183.04384	0.4
187.03941	0.8
191.03369	2.4
191.07141	0.2
195.02913	2.3
201.05464	2.2
202.29164	0.2
203.03394	0.6
205.04927	1.4
207.02878	0.3
211.03954	0.3
213.05414	0.2
215.03394	0.5
216.34525	0.2
219.02872	0.4
219.06468	0.3
224.74823	0.2
229.04958	6.1
231.02946	0.3
233.04500	0.3
243.02907	0.5
245.04823	0.2
247.06024	0.9
257.04437	3.4
261.04092	0.4
271.05896	0.3
274.04739	0.9
285.03946	1.6
299.05515	0.7
302.04144	0.4
303.04987	100.0
304.05353	1.1
313.07156	0.5
315.04971	17.0
316.05725	1.1
327.04947	1.4
327.08612	0.4
329.06573	0.8
337.07275	0.3
339.05017	0.5
340.05765	0.4
341.06558	2.8
345.06049	11.9
353.06601	0.3
355.08160	3.0
365.06668	0.5
369.06064	6.2
381.06155	1.8
383.07532	0.6
393.05927	1.3
399.07156	4.0
411.07104	3.3
429.08206	4.5
447.09274	2.8
465.10291	2.3
465.19177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	0.5
55.01860	0.6
57.03421	0.6
61.02914	1.2
68.61652	0.3
68.99778	1.1
69.03426	2.7
69.35336	1.9
69.35754	0.7
70.00041	0.3
70.06590	1.8
71.04961	0.5
72.08147	0.4
75.09275	0.3
76.08129	0.3
81.03411	1.7
84.08137	1.0
85.02898	9.0
86.09698	1.5
90.96278	0.3
91.03947	0.5
93.03401	0.4
95.04932	0.5
97.02895	2.8
99.04440	0.4
109.02879	1.0
111.00809	1.0
120.08054	0.6
121.02856	1.2
123.04417	0.6
127.03913	1.3
129.10229	0.3
136.07574	0.4
137.02342	4.7
145.04945	1.5
149.02330	0.4
153.01822	5.2
161.84898	0.3
163.03883	0.6
165.01834	2.2
166.76402	0.3
171.41316	0.3
173.05978	0.7
183.02907	1.0
183.04387	0.4
191.03439	0.3
201.05452	2.3
219.06525	0.5
228.03923	0.4
229.04956	5.2
229.07050	0.4
229.15659	0.3
238.15991	1.5
238.66127	0.6
246.93062	0.3
247.05994	0.7
257.04440	3.3
262.47653	0.3
274.04739	0.9
285.04028	1.8
303.04984	100.0
304.05246	1.7
304.59729	0.3
429.08667	0.3
472.67819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.9
57.03421	9.4
57.07076	97.2
59.05002	48.3
67.05499	11.7
69.06790	1.9
69.07073	20.2
69.46032	14.9
71.08630	100.0
79.05487	2.9
81.07059	14.6
82.07383	3.7
83.08617	15.3
84.08934	2.0
85.06555	2.5
85.10180	85.1
91.05492	13.6
93.07023	6.1
95.08604	17.3
96.08920	3.0
97.06532	9.5
97.10162	10.3
97.22887	1.9
99.11738	10.5
101.06025	4.1
101.09631	4.2
105.06998	5.0
107.08607	5.7
109.10156	11.6
111.11703	5.7
115.07574	29.3
117.09130	17.0
119.08588	3.3
121.10122	5.0
123.08051	3.1
123.11679	5.2
126.56075	2.1
127.07536	2.3
133.06477	6.3
133.10130	3.1
141.16373	6.2
145.10069	3.3
151.07539	19.6
152.07863	7.6
153.09113	4.4
169.08589	28.0
170.08932	9.3
171.11736	2.3
171.13815	6.9
181.10135	2.6
195.56479	2.0
199.20592	14.9
240.23051	2.2
256.09000	2.1
257.24734	16.4
404.35800	4.9
422.37085	2.9
428.36029	4.2
446.37070	2.8
464.38553	18.3
465.36996	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	464.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15871	0.9
56.05038	40.5
60.04516	3.9
61.00851	1.5
61.01147	24.9
69.07068	7.8
69.15297	9.0
70.02938	2.6
70.06577	1.9
74.02432	5.0
74.06064	1.9
86.09706	90.4
87.05088	1.8
87.05590	26.2
88.03973	1.1
98.06030	3.5
99.05670	0.9
101.26678	0.8
104.05330	100.0
116.03465	2.9
117.05420	1.0
123.84896	0.9
125.78970	0.8
131.17574	1.0
133.06091	66.3
143.08159	43.4
155.11795	1.5
163.03879	3.6
171.07742	1.2
173.07443	2.0
173.12859	9.8
183.11275	5.7
191.08490	15.3
199.07056	2.1
201.06979	2.3
201.12346	15.6
202.12619	1.1
219.05969	1.3
219.07979	15.0
246.09258	1.2
247.07498	6.2
264.10132	49.7
269.13190	1.5
287.14203	1.4
314.15363	16.4
315.04895	4.3
315.86319	1.0
332.16391	1.7
344.04980	1.1
345.05792	2.2
351.13284	11.7
351.17279	1.4
361.11945	1.0
368.05084	1.1
411.06882	1.1
446.20834	1.2
447.09329	1.4
447.19272	1.1
464.21469	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	464.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.7
53.03958	5.4
53.15290	1.1
55.05519	6.5
57.03439	8.7
57.15126	1.0
59.05000	1.6
60.04515	2.0
60.08163	1.1
61.02927	1.5
61.63395	1.1
65.03943	2.9
67.05503	6.8
69.03436	24.6
69.07067	4.4
70.06594	8.3
70.67023	1.9
70.67395	2.0
71.05008	1.4
71.15115	0.9
72.08157	1.2
73.02927	3.1
74.06001	1.2
77.03970	1.3
79.05493	13.4
81.03412	3.3
81.07055	6.1
83.04980	1.4
84.08150	5.4
85.02441	1.7
85.02916	21.5
85.06554	1.4
86.09723	8.1
87.04470	16.1
91.05490	35.5
93.07048	92.9
94.07884	1.5
95.04971	7.0
95.08644	3.6
97.02895	21.9
98.20935	1.4
99.04466	1.2
105.04521	2.6
105.07033	11.8
106.04148	1.0
106.07359	1.3
107.04979	1.4
107.08601	100.0
108.08937	1.6
109.02862	1.6
109.06532	4.4
109.10152	2.2
111.04446	2.1
112.08742	1.3
115.03931	22.7
115.04661	1.7
117.07022	1.3
119.06052	2.4
119.08575	3.1
120.08130	2.5
121.10169	6.6
123.04441	1.7
125.00004	3.9
127.03915	2.5
129.10245	1.8
131.08612	2.0
133.04962	27.1
133.10136	4.2
135.11697	27.4
136.07608	2.1
137.05968	1.9
145.04927	2.5
148.67839	1.2
150.07697	5.8
151.03967	1.1
152.32896	1.1
153.05516	2.0
159.11659	1.3
165.09164	1.5
177.05571	1.4
177.12692	1.6
184.07350	19.1
193.08604	6.0
233.09081	1.1
241.04979	2.0
464.27402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98190	2.6
54.84637	2.7
55.01878	13.7
57.03438	22.7
61.02934	15.1
68.84579	2.4
69.03431	48.0
69.71178	6.1
69.71597	11.3
70.06592	11.8
71.01370	3.7
72.08150	3.1
73.02919	89.5
81.03423	8.7
81.07054	4.5
84.04506	7.6
84.08158	5.1
85.02905	90.2
86.09701	4.5
87.04475	4.9
91.03946	5.2
92.67196	2.6
96.04495	2.8
96.40447	3.0
97.02891	74.7
99.04499	4.8
101.56048	2.4
103.03965	4.4
109.02880	7.5
115.03928	38.8
116.01658	4.8
121.02870	57.6
127.03922	33.0
133.04967	62.1
145.04962	50.9
148.20897	2.8
153.05469	100.0
162.02155	3.6
163.06029	16.0
170.08136	6.0
195.03058	2.9
199.06030	3.8
223.05956	4.5
241.06967	6.1
243.08804	21.1
244.09645	6.5
253.99382	2.9
259.08215	6.3
259.11151	13.5
277.38968	2.5
286.04416	6.4
303.04630	2.6
314.03687	4.0
315.04947	12.1
316.05423	14.1
343.04218	2.7
344.04895	8.8
345.06027	11.6
369.05914	4.1
378.15430	13.5
379.16257	3.3
398.05725	3.6
399.98737	2.7
420.19302	4.2
429.07864	5.4
446.07962	3.3
447.09326	8.5
464.08719	3.4
465.10049	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	463.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	1.0
55.05516	11.0
57.03429	4.2
57.07080	100.0
59.05007	60.2
60.91535	0.9
67.05502	4.6
69.03431	1.8
69.07075	16.5
69.97084	0.9
71.08638	69.7
71.50246	1.6
79.05489	3.1
81.07069	10.1
83.01334	1.1
83.04970	1.1
83.08632	10.8
85.10189	56.8
87.72382	0.9
91.05473	3.0
93.07048	6.0
95.04932	1.2
95.08612	9.5
97.10169	6.9
99.08100	1.7
99.11736	10.5
101.09662	1.6
105.07038	4.2
107.08592	5.9
109.06560	5.3
109.10187	6.4
111.04465	1.2
111.08076	1.9
111.11715	3.2
112.22702	0.9
113.13300	3.4
117.09143	18.1
119.08594	3.3
121.06524	1.9
121.10143	3.3
123.08109	3.0
123.11744	3.1
125.06004	4.0
125.13333	1.6
127.03891	1.2
127.07579	1.1
131.08588	3.4
133.10130	2.3
135.08040	2.8
135.11632	1.9
137.05972	7.5
137.09628	2.1
137.13266	1.2
139.07541	16.0
147.11678	1.1
149.05984	2.4
149.09619	3.5
149.13283	2.0
151.07571	3.8
151.11238	1.4
153.09123	1.6
155.17953	4.2
157.10132	1.5
159.11699	2.1
165.05521	3.0
165.09117	2.2
167.07086	3.9
169.08646	2.1
172.91452	0.9
175.14810	1.1
177.09132	20.8
179.07088	4.1
181.08681	1.5
181.12288	1.2
189.12854	1.9
193.08621	3.7
193.12271	1.4
193.14317	1.2
197.08195	1.3
213.22163	4.1
245.19107	1.2
271.26419	2.9
291.23419	1.1
318.31665	1.0
399.36249	2.7
403.31110	1.5
403.36017	10.4
417.37195	5.0
421.36826	2.5
427.35895	3.6
445.37079	12.2
463.32910	0.9
463.37796	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	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
55.01848	2.9
55.05510	20.9
55.31425	1.3
57.07076	32.7
67.05509	12.8
69.07070	41.5
71.04995	46.9
71.08630	29.2
71.49701	1.8
76.47998	1.3
79.05501	7.0
81.06596	2.1
81.07057	33.8
83.04987	2.3
83.08618	27.6
85.10181	16.9
91.05476	2.2
93.07041	5.0
95.08607	31.8
97.06468	3.3
97.09560	1.8
97.10175	30.0
99.04447	18.8
99.11706	3.9
105.07031	2.5
107.04921	2.8
107.08564	3.0
109.06516	7.1
109.10161	23.8
111.04418	1.4
111.08101	1.5
111.11720	19.7
119.08562	3.8
121.10152	4.0
123.11705	9.7
123.93705	1.5
125.05997	100.0
125.13296	8.8
127.03917	48.0
131.08502	1.7
133.10144	2.8
135.08063	1.8
135.11708	2.6
137.05975	43.5
137.13229	4.1
139.14830	1.6
140.06259	1.4
143.08600	1.6
147.11690	2.0
149.05936	4.3
151.07567	2.7
151.14804	2.3
157.10132	3.4
159.11665	2.0
160.88306	1.4
161.09625	4.8
161.13258	3.5
165.16345	2.6
167.07040	33.9
170.10959	1.4
171.11681	5.2
175.11203	4.5
177.12737	3.8
179.07079	3.6
189.12764	4.2
193.12137	1.6
213.12764	3.5
219.13753	2.2
319.33563	2.6
321.26126	1.5
385.34598	3.7
399.36163	4.1
403.35733	23.7
445.36526	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	29.9
57.07075	35.0
64.48394	5.0
67.05517	22.0
69.03429	5.3
69.07069	60.0
70.74462	12.7
71.04978	8.4
71.08611	16.9
79.05502	25.6
80.05760	5.2
81.07060	76.2
83.04985	7.3
83.08627	27.1
85.06551	11.0
85.10169	14.2
86.06842	6.4
91.05479	18.6
93.07042	37.9
94.07393	5.7
95.08606	100.0
96.08936	14.4
97.06493	8.6
97.10155	28.0
105.07061	37.5
105.07655	7.9
107.08604	52.8
108.08952	5.0
109.06505	9.7
109.10168	50.7
110.10512	8.0
111.11699	11.5
113.09666	5.2
119.08581	29.2
120.08942	8.0
121.10143	38.1
122.10436	12.7
123.08067	9.0
123.11703	25.1
125.06013	8.9
131.08560	11.4
133.10107	36.6
134.10463	11.1
135.11720	24.2
136.12001	8.0
137.06007	11.4
137.13219	10.9
139.07570	21.8
143.07094	6.2
143.08588	7.8
145.10089	19.5
147.11652	26.3
148.11993	9.6
149.09628	6.5
149.13264	21.8
150.13606	7.7
151.07504	6.3
157.10138	8.2
159.11674	17.0
161.13272	15.7
162.13545	8.8
163.14816	17.1
164.15184	7.0
165.09097	7.5
167.07019	8.6
167.10684	4.8
173.13184	9.5
175.14783	11.1
176.15144	8.7
177.09113	12.7
177.16447	7.9
179.07008	7.0
187.14844	7.5
189.12738	4.6
189.16420	15.0
190.16666	9.3
191.10687	9.4
193.12228	6.3
194.16389	5.0
195.10126	5.9
201.16350	5.8
203.17973	11.9
207.13733	6.8
219.17468	6.9
290.25919	5.7
334.03015	4.6
343.33521	5.2
347.33145	8.0
403.35477	8.7
410.35028	33.5
427.35626	23.1
428.36078	62.9
445.36829	62.9
446.37195	57.2
455.84567	5.3
463.37973	16.3
464.38568	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	463.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30160	1.3
55.01866	2.6
55.05511	23.5
55.79922	1.6
57.07077	37.8
58.89505	1.4
61.72125	1.3
63.71858	1.3
67.05514	12.9
68.60848	1.4
69.07069	50.0
71.04994	52.0
71.08630	37.8
71.11244	3.5
79.05485	5.9
81.06593	2.6
81.07054	37.7
82.38265	1.6
83.04973	1.8
83.08150	2.7
83.08620	37.6
85.10178	19.2
91.05476	6.8
93.07049	5.3
95.08607	33.4
97.06525	5.4
97.10165	30.9
99.04446	17.6
99.11731	2.4
105.07028	4.1
107.04950	3.0
107.08604	4.4
109.06525	8.0
109.10156	25.1
111.04396	1.6
111.08095	2.9
111.11719	25.3
113.13277	3.6
119.08576	4.4
121.10182	2.9
123.11709	16.9
125.05995	100.0
125.13254	9.2
127.03917	56.5
133.10149	4.0
137.05977	47.3
137.13228	5.2
139.07541	3.5
145.04971	2.7
145.10120	2.4
147.11703	3.5
149.05986	4.6
151.07591	2.6
151.14883	3.2
157.10153	3.4
159.11687	2.4
161.09612	4.8
161.13249	2.7
163.11250	2.0
163.14767	1.5
165.16382	1.6
167.07042	43.4
171.11688	4.1
175.11156	4.2
175.14784	1.6
177.12727	2.2
179.07034	3.3
189.12794	4.4
191.14357	1.6
193.12404	1.6
198.10405	2.2
213.12773	6.6
219.13812	1.8
301.21713	1.5
319.33487	2.8
385.34683	6.0
399.36185	2.9
403.30902	2.6
403.35770	34.7
427.35675	2.3
445.36771	2.4
463.37286	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.88642	1.1
55.05507	11.7
57.07071	34.2
67.05511	6.4
69.07064	27.5
69.83463	1.4
71.08630	24.9
71.10960	2.8
76.96814	1.2
79.05505	6.6
81.07058	17.6
83.08619	13.7
85.10172	13.3
91.05489	6.7
93.07011	6.7
95.08607	14.6
97.02867	1.5
97.06536	3.9
97.10156	11.3
99.04459	2.5
102.47297	1.2
105.07049	6.2
107.08588	4.8
109.06504	13.0
109.10165	9.3
111.08087	3.7
111.11731	5.0
119.08585	4.2
121.06538	1.7
121.10167	3.8
123.08048	10.9
123.11740	3.2
125.05993	15.3
125.09662	1.4
126.06718	1.1
127.07558	41.5
131.08534	2.4
133.10141	4.0
135.08051	2.6
135.11671	2.3
137.05965	5.7
137.09610	5.0
137.13217	1.1
139.07541	100.0
145.10048	1.7
147.11703	1.7
149.05974	3.4
149.09601	2.4
149.13295	1.9
151.07547	8.6
151.11211	2.9
153.09164	1.4
161.13307	2.4
161.78346	1.3
162.68411	1.3
163.07574	2.4
163.77187	1.1
165.09116	2.6
167.07037	5.6
167.83702	1.2
175.11292	1.6
175.14873	1.4
177.09138	15.7
179.10652	1.5
191.10802	1.7
193.12134	1.6
203.14296	1.6
214.42055	1.2
228.68443	1.4
295.59753	1.3
301.28885	3.7
301.39084	1.3
306.70370	1.2
319.29916	12.5
328.37738	1.3
347.33139	17.0
373.30981	6.2
395.44138	1.5
399.36136	3.6
403.35852	2.9
417.37323	19.2
427.35645	3.0
445.36792	43.6
463.37863	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	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.03770	0.9
55.05512	20.6
55.40350	1.2
57.07076	14.1
58.07449	1.3
59.05008	2.2
65.03916	1.6
67.05508	16.4
69.03400	1.2
69.07074	39.1
70.56263	1.8
70.56589	1.2
71.08637	11.2
79.05501	7.4
81.06591	1.8
81.07059	30.8
83.04973	3.3
83.08626	23.4
85.06551	1.5
85.10178	5.8
91.05486	9.0
93.07045	10.8
95.08611	35.2
97.10174	14.5
105.07037	9.2
107.08604	11.9
109.06525	2.0
109.10168	19.3
111.08066	4.6
111.11731	11.2
119.08587	4.7
121.10142	6.3
123.08092	13.0
123.11722	8.0
125.09610	1.3
125.13274	4.2
127.07565	6.8
131.08589	1.9
133.06506	22.5
133.10144	4.3
135.08043	2.9
135.11696	2.4
137.09628	13.1
137.13255	4.4
139.07532	7.7
139.14857	1.1
141.09056	2.2
143.22357	1.2
145.10098	3.2
147.11676	3.2
149.09598	2.0
149.13283	1.7
151.07550	58.1
151.14775	2.7
153.09100	7.3
159.11700	2.8
161.13240	2.1
163.11203	1.3
165.09128	3.1
165.16505	1.2
167.10686	1.8
169.08615	100.0
173.13322	1.7
175.14847	1.2
181.08569	1.5
181.86104	1.0
185.13237	1.8
189.12697	2.4
191.14333	1.3
191.17961	1.3
203.14316	1.5
205.15971	1.2
207.13759	1.7
231.13838	1.3
233.15334	1.7
277.28717	1.6
395.29422	1.1
399.36264	2.4
401.37918	1.3
403.35812	11.6
409.34381	2.4
417.37363	2.4
421.36722	1.6
427.35678	10.6
445.36963	8.8
463.38004	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01847	1.5
55.05511	15.9
57.07075	39.9
67.05515	7.5
69.06727	2.1
69.07067	23.0
71.08247	1.9
71.08630	27.5
71.41569	2.6
79.05496	8.3
79.80538	1.6
81.07063	21.6
83.08618	16.9
85.10184	15.1
91.05447	4.2
93.07048	7.9
95.04964	2.2
95.08604	16.2
97.06543	4.3
97.10151	10.1
99.04459	4.3
105.07013	5.8
107.04912	2.1
107.08556	6.9
109.06519	16.6
109.10165	11.0
111.08077	2.6
111.11707	6.4
111.12366	1.4
117.21977	1.4
119.08566	3.2
121.06452	2.7
121.10139	5.3
123.08054	10.8
123.11691	1.4
125.05999	15.7
125.09619	2.4
125.13252	2.0
127.06651	2.3
127.07556	38.0
131.08530	2.2
133.10091	4.2
135.08072	3.8
135.11649	1.9
137.06035	6.6
137.09590	4.7
137.13261	2.3
139.07541	100.0
147.08054	1.7
147.11688	3.1
149.05991	3.4
149.09596	2.4
149.13275	1.9
151.07533	10.4
151.11111	1.6
159.11653	2.0
161.09514	1.7
163.07549	2.3
165.09053	3.4
167.07043	3.3
173.09610	1.6
175.11212	2.0
175.14767	1.7
177.09096	13.2
188.33392	1.4
189.12538	1.4
193.12289	2.8
221.15311	2.2
223.12958	1.8
225.98322	1.7
249.14694	1.6
301.28754	4.3
319.29880	12.4
345.31378	1.4
347.33115	17.1
373.31015	7.3
385.34796	2.4
399.36029	5.3
403.35464	3.7
417.37277	22.1
427.35611	5.5
435.22427	1.7
445.36807	58.2
463.37857	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	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05516	51.3
57.07067	22.4
59.04997	9.1
67.05508	32.0
69.03417	3.6
69.07071	77.6
71.08640	15.8
71.50243	5.1
72.08153	5.7
79.05479	16.4
81.06588	5.4
81.07053	69.6
83.04972	31.9
83.08619	41.5
85.06561	3.7
85.10188	8.7
89.06021	5.8
91.05479	11.9
92.04318	3.5
93.07053	28.7
95.04990	3.8
95.08611	79.6
97.10173	25.2
105.07029	11.6
107.08595	29.8
109.06512	9.1
109.10167	54.3
111.08098	9.8
111.11722	12.0
113.06021	3.2
119.08600	19.0
119.24950	3.2
121.06485	19.5
121.10144	38.5
123.08073	12.3
123.11687	33.3
125.09602	8.9
127.07587	9.1
131.08539	8.6
133.10132	12.8
135.08038	15.0
135.11684	21.1
137.05962	7.9
137.09624	46.2
137.13260	11.2
139.07527	54.3
139.11171	3.3
143.08540	4.1
145.10133	11.0
147.11714	8.7
149.09610	12.7
149.13266	16.6
151.07484	15.6
151.11157	3.6
151.14836	4.4
153.09109	6.9
157.10143	4.2
159.11670	10.4
161.13292	8.1
163.07541	9.8
163.11171	9.1
163.14819	6.6
165.09109	16.5
167.10680	4.9
169.08597	10.7
171.11714	7.8
173.13274	6.9
175.11186	4.3
175.14856	5.8
177.09013	5.4
177.12804	8.7
179.14371	3.9
181.08644	18.0
183.10149	5.5
185.13245	6.4
187.14825	8.3
189.16466	3.7
191.10799	4.8
191.14246	3.9
192.90778	3.1
193.12160	4.3
203.14313	4.3
205.12253	5.7
205.15942	6.8
223.13263	7.9
237.14964	5.4
249.14833	4.1
251.16409	3.5
261.65353	3.5
263.16257	4.3
301.81354	3.1
307.22726	4.7
319.29935	4.1
383.36850	5.1
393.31631	3.6
399.36090	10.9
401.37766	7.5
417.37350	21.7
427.35544	8.8
445.36768	100.0
446.37323	5.2
463.31863	25.8
463.37851	75.5
486.12994	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01861	6.8
55.05513	31.3
57.03438	10.2
57.07078	3.8
65.03941	2.5
67.05506	91.3
69.03414	2.2
69.07075	31.5
70.10078	6.6
71.04984	6.4
73.06578	2.0
77.03925	3.1
79.05497	77.2
81.03412	7.6
81.07057	93.2
81.33018	1.8
83.04974	8.9
83.08625	15.2
85.06524	4.6
89.02837	1.8
91.05482	100.0
93.07046	70.7
95.04974	15.4
95.08608	55.0
97.06524	13.0
97.10163	8.6
99.08122	4.4
103.05474	2.7
105.04511	3.5
105.07033	78.7
107.04950	7.6
107.08593	34.6
109.06494	11.8
109.10152	22.5
111.08090	7.0
115.05442	5.9
117.07023	37.5
119.04944	2.3
119.08584	59.1
121.06504	12.2
121.10142	25.1
123.04449	6.7
123.08054	5.5
123.11685	5.7
125.09617	4.1
128.06216	7.0
129.07002	28.2
131.08571	64.0
133.06505	6.4
133.10139	36.6
135.08047	8.0
135.11678	12.0
137.09619	4.7
139.11227	2.2
141.06949	10.6
142.07753	2.4
143.08562	24.8
145.02850	3.9
145.06479	4.4
145.10121	40.6
147.08047	6.0
147.11757	9.8
149.09639	6.7
149.13229	9.8
151.11165	4.6
155.08536	14.1
157.10138	18.0
159.08025	4.3
159.11688	17.3
161.09605	3.1
161.13283	7.0
163.11189	2.8
167.08612	3.4
169.10144	12.9
171.11697	14.8
173.09590	3.4
173.13287	7.1
175.11137	4.0
175.14812	1.9
177.05510	8.6
177.12714	2.5
179.08667	2.2
181.10139	6.9
183.11684	7.3
185.09772	2.8
185.13202	7.2
187.11186	5.0
187.14803	5.3
193.10164	2.7
193.12183	1.9
195.06584	3.7
195.11725	7.7
195.13695	3.4
197.13297	5.1
199.14827	5.7
201.12688	2.7
201.16391	2.6
209.13301	5.9
211.14799	4.8
213.12732	3.3
215.14478	2.6
219.13770	2.1
223.14951	2.1
225.12965	2.3
225.16321	3.5
227.14439	4.3
233.15599	2.4
235.14861	3.0
235.17032	2.1
241.15987	2.9
243.17426	2.0
243.48227	2.0
245.15515	2.4
247.16943	3.5
250.39651	1.9
253.14395	3.8
259.16858	2.9
261.18616	3.9
269.19138	2.3
271.17004	2.4
273.18451	2.1
275.19879	2.0
307.24191	2.5
308.06799	6.0
325.25101	10.0
335.23676	11.5
343.26321	19.1
353.24750	42.0
371.21381	3.2
371.25827	48.5
374.92914	2.4
389.26886	53.3
427.28345	4.1
445.29584	67.1
463.17426	15.9
463.30438	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03940	5.1
53.76417	1.0
55.01868	4.4
55.05271	1.6
55.05513	21.0
56.81334	1.3
57.03447	7.8
57.07076	2.2
59.05000	1.0
65.03939	4.7
67.05508	88.8
69.07073	26.2
69.37254	6.1
69.37675	2.4
71.05003	7.8
71.74522	1.2
72.00674	1.2
79.05498	54.5
81.03423	3.0
81.07060	100.0
83.04984	10.1
83.08627	21.3
85.06557	6.6
91.05481	32.6
91.06026	2.1
93.07048	79.6
94.07387	1.1
95.04971	7.7
95.08609	23.5
97.06530	14.9
97.10154	2.9
99.08101	3.1
105.04539	2.8
105.07039	14.2
107.04978	3.1
107.08602	39.0
109.06535	3.7
109.10145	5.4
111.08118	8.9
113.09644	1.2
117.07022	12.8
119.08591	5.6
121.06544	3.1
121.10145	25.8
123.11714	3.1
125.09647	1.2
131.08595	12.7
133.10115	11.0
135.08089	2.9
135.11679	10.5
139.07617	1.3
139.11208	2.0
145.10165	1.5
147.11734	2.4
149.09653	1.7
149.12041	2.6
149.13266	53.9
151.11186	2.0
159.11702	20.5
165.12778	1.5
167.14337	1.2
171.82596	1.2
177.12747	10.7
195.13808	20.1
213.14838	2.4
221.09302	1.3
227.12883	2.4
297.17227	1.4
304.89478	1.0
332.32401	1.2
364.06006	1.1
459.95715	1.3
463.30615	66.6
464.31488	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03949	6.4
55.01865	3.5
55.05512	22.4
56.42993	1.4
57.03440	7.0
57.07072	4.0
65.03931	4.5
67.05505	71.8
69.07073	27.1
70.55239	3.7
71.04999	4.8
79.05494	52.3
81.03410	2.7
81.07056	100.0
83.05002	8.7
83.08620	19.7
85.06547	4.5
91.05482	31.3
93.07047	81.6
95.04987	8.9
95.08610	31.6
97.06529	15.3
97.10184	3.1
99.08105	5.1
105.04530	2.7
105.07037	12.8
107.04995	1.9
107.08601	40.8
109.06526	3.5
109.10152	4.9
111.08096	8.8
111.11743	1.5
113.05988	1.8
113.09645	2.3
115.05487	1.3
117.07040	12.6
119.08604	5.7
119.69568	1.5
121.06542	2.1
121.10139	26.2
123.04451	1.3
123.08091	1.2
123.11701	2.7
129.07010	1.3
131.08607	11.9
133.10120	10.1
135.08080	3.4
135.11713	12.1
139.11229	2.0
145.10143	2.6
147.11703	3.0
149.13255	47.9
159.11693	18.4
163.11208	2.7
167.14360	1.7
177.12758	9.9
195.13803	17.7
195.15468	1.6
208.61867	1.4
213.14890	2.7
218.74927	1.3
227.12834	4.1
234.47580	1.5
445.29813	2.4
463.30695	63.7
464.30927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01875	2.4
55.05510	18.7
57.03429	7.0
57.07075	2.4
65.03940	4.6
67.05505	84.9
69.07069	24.4
71.04997	6.8
71.48123	1.2
71.50673	1.3
72.02482	1.1
73.02919	1.2
77.03893	1.2
79.05494	54.6
80.69180	1.3
81.03415	7.7
81.07056	100.0
83.04978	9.6
83.08618	19.1
85.06562	6.1
91.05479	32.9
93.07043	70.8
93.07646	2.3
95.04975	9.9
95.08612	26.2
97.02868	1.6
97.06538	12.7
97.10187	3.7
99.08121	4.4
105.04520	1.3
105.07023	13.3
107.04969	3.2
107.08590	40.0
109.06526	3.7
109.09513	1.5
109.10131	6.6
111.08081	8.9
113.06040	1.3
117.07011	9.5
119.08621	4.7
121.06540	3.2
121.10145	20.2
121.52632	1.1
123.11761	3.2
125.09628	3.8
129.07043	3.0
131.08568	12.9
133.10115	15.1
135.08130	2.7
135.11678	10.1
137.09573	1.6
145.10216	1.7
147.11713	2.8
149.13255	48.1
151.11258	2.8
152.07478	1.1
153.09216	1.6
157.10168	3.7
159.11696	16.7
160.65181	1.2
163.11200	1.1
173.13269	1.5
177.12814	6.9
193.12294	1.6
195.13818	19.7
213.14810	2.7
219.13802	6.1
227.12860	2.1
323.16000	1.2
381.89532	1.2
391.93301	1.2
395.52594	1.1
439.59357	1.2
445.26028	4.4
463.30667	63.3
464.30829	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	463.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
61.02912	1.7
65.03914	2.1
66.32579	1.6
68.99782	2.8
69.07068	1.4
70.00691	6.2
70.06593	11.5
70.95522	1.7
72.08131	5.1
81.03426	1.7
81.07052	2.2
84.04512	1.6
84.08121	3.5
86.09691	3.9
93.03396	4.4
95.04970	1.6
99.62778	1.3
103.05433	1.7
107.04955	3.4
109.02859	1.5
111.00782	2.7
111.04415	7.4
115.05414	2.6
117.07066	1.2
117.13995	1.5
117.39438	1.1
118.06567	1.8
119.04949	1.4
120.08089	2.3
121.02882	3.2
123.04429	59.8
127.03928	2.3
129.07014	3.8
129.10229	2.0
130.06522	20.2
131.04918	2.0
131.07275	2.5
132.08092	18.3
135.04425	23.3
137.02284	1.8
137.05974	1.9
139.03902	37.0
143.07260	5.3
143.08350	1.5
144.08087	66.4
147.04398	4.2
149.02400	7.5
151.03897	15.2
153.05551	1.5
154.06525	2.8
155.07227	1.8
156.08096	13.1
163.03903	12.3
165.01924	3.7
167.07253	4.2
168.08090	16.4
170.09692	2.1
171.09163	5.9
173.10722	5.9
174.08931	1.4
175.03998	1.4
175.12314	31.0
180.08151	1.9
182.09648	3.3
184.07568	5.4
186.09102	1.5
196.07579	22.3
199.14571	1.3
206.09605	2.2
208.07426	1.5
210.09039	2.3
213.05457	2.7
220.07568	1.7
229.04947	2.0
230.09636	4.2
231.06546	2.3
234.09184	4.3
236.07051	4.0
237.07858	1.8
238.08675	6.1
243.06630	2.0
247.06049	1.8
250.08612	1.6
252.06570	11.3
252.10207	23.5
258.05313	3.4
258.08929	2.0
259.06104	2.6
262.08609	6.3
263.09360	6.8
264.10208	3.3
265.07388	17.3
266.08105	2.9
268.09586	9.0
270.05222	1.5
271.05994	16.5
273.07645	1.3
276.10196	19.8
278.08066	2.7
278.11551	1.9
280.09686	85.7
281.10318	2.6
282.11264	4.9
283.05994	33.1
284.06564	2.5
285.03763	1.9
286.04675	8.1
288.10388	2.2
289.07040	5.5
289.10864	2.5
292.09753	10.2
294.11142	3.8
295.05710	1.4
297.07724	2.8
298.04666	4.7
301.07043	29.4
304.09775	1.6
306.11319	2.4
309.07550	1.9
311.09357	1.8
313.03610	2.1
313.07062	24.6
314.07925	1.8
324.06128	3.5
325.06982	5.3
327.08560	2.4
328.05701	3.9
337.07004	2.6
339.08685	2.4
343.04337	1.7
343.08133	15.5
349.06882	3.1
353.06363	1.7
353.10352	2.5
367.08112	7.0
388.11856	7.3
395.07611	2.4
397.09158	4.0
398.78201	1.5
402.13412	41.1
409.09125	4.0
413.08658	4.7
414.13409	4.7
427.10165	5.1
432.14429	100.0
433.14697	2.5
445.11005	4.7
445.17627	4.7
446.15967	5.9
463.12018	3.0
463.18137	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	462.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31441	0.8
69.03428	1.0
69.16126	8.3
69.16534	1.9
70.11159	0.9
73.06548	1.0
80.29053	0.9
80.80563	0.9
85.02908	5.2
87.04478	2.9
89.06032	100.0
97.02903	1.7
107.07090	1.1
133.08604	49.6
151.47668	1.0
177.11241	18.2
189.88989	0.9
195.12282	4.1
221.13809	2.0
239.14919	3.9
244.30219	0.9
283.17520	98.8
284.17865	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	463.1235
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
54.92229	0.1
70.94560	0.2
84.08108	0.1
84.38599	0.1
85.02872	0.1
86.09729	0.1
138.50482	0.1
149.05910	0.2
153.01784	0.4
219.11409	0.1
226.46288	0.1
229.04907	0.3
257.04617	0.2
258.05225	17.7
259.05621	0.5
269.04926	0.1
286.04703	39.6
287.04996	1.0
301.07043	100.0
302.07379	2.8
334.44153	0.1
431.83392	0.1
444.62918	0.1
463.12170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
51.54878	0.6
52.77712	0.7
53.03923	0.6
64.35076	0.7
70.04863	2.2
73.02921	1.1
84.08178	0.7
85.02908	2.0
97.02858	0.8
98.21461	0.9
109.02834	1.8
121.02853	1.1
128.28082	0.6
137.02422	0.8
141.01848	0.8
149.02330	1.3
149.05943	1.8
151.03908	4.9
159.04407	0.7
162.46748	0.7
165.01833	11.9
167.03433	1.1
175.03821	1.6
176.30127	0.6
177.01768	0.8
177.05519	0.8
178.52573	0.8
181.01125	0.9
183.02884	2.0
191.03569	0.8
195.02928	0.9
205.05081	0.7
243.02789	1.0
243.06621	0.8
254.05751	1.0
269.08142	0.6
270.05258	3.7
271.05936	2.3
282.05365	4.5
286.04584	1.7
296.06754	8.2
297.07516	3.0
298.04721	20.0
299.05383	0.8
300.06281	7.8
301.06970	5.9
308.06735	1.6
309.07547	1.3
310.04721	4.7
310.08344	3.6
311.09155	4.9
312.06186	1.5
313.07047	100.0
314.07666	6.4
320.06729	1.2
324.06235	9.8
325.07104	6.7
325.10583	1.1
327.08722	2.7
328.05762	17.8
335.09070	1.5
336.06274	2.9
337.06796	1.3
338.07840	7.2
339.04980	1.5
339.08630	15.5
341.06467	1.3
343.08130	71.0
344.08408	2.5
348.06232	2.3
351.08524	1.7
353.10147	13.0
355.08282	0.9
363.08664	2.8
364.05750	2.7
366.07318	1.5
367.08102	41.8
368.08643	1.7
376.05670	2.1
379.08191	11.1
381.09628	2.9
391.08075	9.0
394.06842	2.3
397.09201	22.3
409.09195	22.0
410.09592	0.9
427.10266	21.8
428.10672	1.2
445.11243	13.4
463.12338	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	463.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	2.9
70.62112	2.3
72.08162	3.8
76.16119	0.8
84.08131	1.3
85.02882	1.0
86.09685	2.1
91.05464	0.9
96.10297	0.9
102.36506	0.8
118.06568	1.0
118.91673	0.8
119.04924	3.0
122.06062	0.8
123.04446	13.7
128.02179	0.9
129.06969	2.7
130.06537	16.6
134.21635	0.8
135.04437	1.2
143.07277	1.6
144.08047	2.3
147.04436	6.7
151.03894	3.5
155.07320	0.9
156.08107	9.3
163.03889	2.4
165.05463	1.5
167.07318	1.7
168.08069	2.4
170.05905	0.8
170.09657	6.9
171.63342	0.9
173.10747	4.0
180.08119	2.0
181.08846	1.4
182.06010	1.0
182.09711	5.2
184.07593	17.4
191.07364	1.0
194.09526	0.9
196.07558	4.4
196.11281	1.7
198.09077	1.6
206.09697	4.3
210.09109	10.4
220.07565	1.0
222.09265	1.0
224.07083	4.1
224.10574	4.2
226.08641	1.2
234.09160	9.9
236.06998	1.2
237.07793	2.0
238.08633	12.6
248.28429	0.9
252.06549	3.2
252.10213	21.9
252.12846	1.1
254.08101	1.5
262.08670	5.3
263.09409	2.5
264.06711	0.8
264.10135	1.7
265.07269	5.1
266.08301	1.0
268.09674	13.9
280.09695	100.0
281.09943	3.0
282.11255	2.2
292.09650	1.9
311.13913	23.8
313.06976	3.1
330.77762	0.8
343.08057	2.2
367.08124	1.4
408.76996	0.8
414.12793	1.1
420.14413	1.7
424.00137	0.8
432.14462	68.8
433.14868	1.7
463.18530	34.2
464.18481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.399
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
54.65931	2.8
55.05509	23.0
57.07073	10.1
65.63766	3.1
67.05245	2.8
67.05517	32.4
69.07076	37.6
69.61411	22.0
71.04986	12.7
71.08634	7.8
74.99434	3.0
79.05489	11.6
81.07055	60.0
83.05007	6.0
83.08624	19.4
85.06542	5.3
91.05479	6.4
93.07046	21.4
95.04975	3.2
95.08611	100.0
97.06554	5.1
97.10164	15.1
99.08087	5.1
104.33163	2.9
104.36161	3.4
105.07036	12.3
107.08601	35.3
108.91338	3.8
109.06590	3.3
109.10156	73.0
111.08102	5.2
111.11745	12.4
119.08598	14.2
121.10147	29.1
123.08054	4.7
123.11734	30.5
125.05985	4.1
125.09606	4.7
131.08583	5.2
133.10117	13.6
135.11734	16.8
137.05992	3.7
137.13284	21.2
145.10126	7.8
147.11703	8.3
149.06007	4.4
149.13312	18.8
151.07559	8.0
151.14853	16.2
159.11693	5.9
161.13275	10.0
163.14818	11.0
165.09073	4.1
165.16385	8.0
165.57732	3.2
167.14352	14.8
173.13287	4.8
175.14777	5.4
177.05559	4.9
177.09085	6.6
177.16379	18.3
179.14445	3.5
179.17998	4.3
187.11192	3.6
189.16400	8.3
190.46445	2.8
191.17984	11.1
193.19592	3.8
195.06543	3.0
195.17322	4.8
197.15367	5.0
203.17987	11.0
205.19550	13.9
215.18011	4.2
217.19441	3.7
219.21132	5.0
261.14951	3.0
342.04431	2.8
345.31433	6.2
347.33350	7.3
368.14630	3.7
371.33304	15.5
372.33447	3.3
389.34021	5.1
392.70795	3.7
401.34189	7.7
443.34821	4.3
461.36044	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	461.3628
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03941	4.5
53.23974	3.0
55.01860	3.5
55.05513	39.1
57.07080	33.1
67.05511	31.8
69.03424	6.0
69.07066	66.2
69.75556	3.1
71.04988	4.7
71.08642	26.6
71.50201	4.6
79.05493	25.6
81.03424	6.6
81.07056	100.0
83.04981	18.3
83.08621	29.3
85.06544	5.3
85.10188	19.5
85.10606	3.1
91.05486	23.0
93.07044	38.4
95.04977	5.2
95.08610	91.8
96.08941	4.0
97.06512	8.5
97.10175	23.0
99.04494	4.6
99.08065	7.7
104.56240	3.2
105.07030	35.3
107.04951	30.8
107.08600	42.8
109.02901	4.1
109.06514	12.8
109.10160	50.4
111.04369	3.3
111.08085	5.6
111.11707	15.1
116.89279	3.2
117.07087	6.5
119.08580	35.7
120.08925	3.7
121.06523	17.7
121.10142	32.1
122.10529	3.5
123.08060	9.3
123.11703	23.4
125.05980	6.3
127.07577	7.7
128.06198	6.3
129.05504	3.6
129.07027	12.0
131.08601	20.8
133.06487	4.9
133.10127	28.1
135.08041	11.6
135.11700	19.5
136.17998	3.3
137.05986	11.2
137.09642	5.2
137.13239	10.7
139.07532	30.4
141.07008	6.1
143.08591	20.4
145.10123	26.0
147.08017	10.8
147.11716	21.1
149.09630	6.0
149.13271	16.5
151.07541	8.5
151.14835	4.0
153.09113	5.1
155.07031	3.1
155.08560	7.0
157.10130	11.5
159.08080	6.3
159.11656	16.7
161.09648	12.0
161.13283	18.6
163.07523	5.2
163.11205	6.7
163.14810	11.9
165.09132	5.2
167.07103	4.7
167.72850	3.9
169.08549	10.2
169.10045	6.4
171.08051	9.2
171.11668	9.1
173.09694	4.9
173.13280	9.6
175.14813	8.1
177.09180	4.9
179.10753	3.8
181.08672	7.5
183.11743	6.7
185.13225	11.1
187.11205	3.9
187.14790	7.0
189.09105	11.8
189.12856	4.8
189.16429	7.5
191.10692	6.6
191.17986	3.4
197.13280	6.9
199.14832	5.5
201.12747	3.8
201.16484	5.5
203.17850	4.6
205.12178	3.8
207.13756	4.1
213.16339	3.4
217.12308	5.9
219.13861	3.2
225.16425	3.6
227.17961	3.5
228.41116	3.1
231.13802	5.7
243.13805	5.0
247.13213	6.1
267.17535	3.9
271.16995	4.0
285.18427	11.5
301.28882	9.4
325.28970	3.5
327.23242	4.4
339.30441	4.3
343.29938	11.0
383.33090	5.6
397.34515	5.8
401.34082	16.7
403.31931	14.5
407.33279	7.5
415.35925	3.7
425.34116	49.7
443.35098	81.8
461.23126	15.1
461.36240	63.8
462.35947	3.7
489.28052	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	461.3625
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03930	4.3
53.44811	2.5
55.01863	5.1
55.05282	3.0
55.05514	33.5
57.07079	28.8
62.75826	2.6
64.95563	2.4
67.05506	29.1
69.03407	2.5
69.07069	63.5
69.73954	15.0
71.04996	38.5
71.08628	15.1
71.08963	2.9
72.11236	2.2
74.29852	2.7
79.05501	16.5
80.79858	2.2
81.06598	5.1
81.07056	76.4
83.04978	5.1
83.08618	47.0
85.10167	7.2
91.05469	6.6
93.07020	14.6
95.01193	2.4
95.08611	70.0
97.06561	3.4
97.10159	29.6
98.21436	5.2
99.04436	14.2
105.07014	10.5
107.08584	17.5
109.06504	15.7
109.10162	42.8
111.04464	2.7
111.11723	19.0
113.09628	3.5
117.07015	3.8
119.08559	7.6
121.10138	17.2
122.90123	3.0
123.08001	4.0
123.11726	19.7
123.31007	2.5
125.05062	4.8
125.05999	96.1
125.13271	7.3
127.03927	47.6
131.08614	4.8
132.51773	2.6
133.06462	4.2
133.10144	6.0
135.11690	10.2
137.05983	100.0
137.13246	9.8
139.07564	3.8
145.10098	3.6
147.11711	4.7
149.09636	5.2
149.13210	6.1
151.07547	18.1
151.14871	5.5
155.57350	2.7
157.10176	4.5
159.11687	5.6
161.05965	6.3
161.09587	5.3
161.13228	3.9
163.11240	2.9
163.14793	6.2
165.09073	15.5
165.16365	4.3
167.07037	46.2
171.11719	4.2
173.13278	3.8
175.11137	5.6
177.09117	4.7
177.16479	3.7
179.07051	30.2
183.11748	3.2
189.12743	3.9
201.70454	2.6
203.14331	3.1
205.12260	5.7
205.19650	2.8
213.12936	3.4
215.14334	3.3
219.13907	3.2
231.13745	2.9
232.21768	2.6
317.31967	6.1
397.34583	7.9
401.34094	8.4
415.35892	3.8
425.34106	4.9
443.35135	22.5
461.36627	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	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	7.7
55.05511	46.4
57.07077	65.0
61.53008	5.3
67.05506	28.2
69.07076	72.6
71.04992	12.7
71.08629	47.1
71.51025	7.8
73.88659	6.6
79.05502	25.1
81.07051	100.0
83.04989	10.5
83.08616	54.1
85.10177	20.9
91.05480	46.6
92.05838	14.9
93.07035	31.4
95.04953	7.0
95.08606	75.0
97.10183	38.7
99.04441	26.1
105.07055	15.1
107.08623	29.0
109.06516	13.7
109.10176	40.3
111.11733	18.2
111.56706	6.3
112.90633	5.9
116.88840	8.2
119.08604	14.7
121.06491	6.9
121.10162	20.6
123.11680	18.4
125.05982	19.3
125.13278	9.1
127.03918	50.6
131.08592	10.7
133.10124	8.0
135.11688	18.1
137.05986	97.0
137.13226	6.2
141.05385	7.7
145.10115	17.7
149.13229	7.9
151.07561	20.3
153.05489	9.4
155.07050	9.8
159.11725	14.3
163.14825	12.8
165.09106	9.8
167.07008	14.0
173.09622	40.0
175.11067	7.0
183.06506	52.4
187.11156	12.7
187.14871	6.8
191.10796	9.9
205.12299	9.6
273.74640	5.9
335.32913	6.7
383.33209	8.5
397.34589	6.2
401.34137	81.5
415.35406	6.4
419.29214	6.0
419.35132	24.7
443.35510	9.1
461.36182	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	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01870	4.4
55.05513	37.0
56.43623	3.3
57.07083	26.4
65.15768	2.9
67.05505	24.3
69.07068	79.3
69.14307	26.5
69.14722	8.2
71.04994	35.1
71.08636	21.1
73.10002	3.5
79.05502	19.4
81.07059	81.3
83.08613	44.2
85.10188	8.2
91.05483	5.7
93.07050	16.5
95.08610	76.5
97.06516	3.9
97.10168	38.6
99.04452	21.9
105.07018	9.1
107.08592	20.9
109.06525	8.9
109.10149	44.2
111.11740	21.5
119.08586	8.5
121.10132	16.0
123.08096	5.2
123.11707	24.0
124.32184	3.1
125.05076	5.7
125.05993	100.0
125.13294	6.3
127.03922	40.9
133.10167	10.5
135.11711	12.8
137.04918	4.6
137.05980	95.3
137.09616	4.8
137.13251	8.2
138.15977	3.1
138.93753	3.1
139.07565	12.5
145.10207	5.4
149.05998	4.1
149.09651	4.7
149.13257	6.0
151.07539	10.1
151.14819	6.9
163.11203	4.1
163.14830	7.9
165.05482	4.5
165.09109	38.3
167.07047	38.5
173.09651	3.9
177.09123	10.1
179.07037	5.3
185.24298	3.2
186.66992	4.2
189.12805	4.0
191.10706	6.2
191.17845	3.8
205.12265	6.9
229.15930	3.8
275.19980	3.8
289.21564	3.8
383.33047	5.1
401.34302	8.1
425.34436	4.2
443.35214	10.4
444.35910	6.5
461.36188	4.5
475.69205	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	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.05509	48.4
57.07062	23.1
67.05521	34.6
69.03425	7.7
69.07063	84.1
69.22337	71.6
71.04990	12.9
71.08618	24.7
79.05493	26.7
81.07055	86.8
83.04961	10.9
83.08616	51.5
85.06538	10.8
91.05493	20.8
93.07046	40.5
95.04983	8.7
95.08611	76.8
97.10140	33.7
101.30750	6.6
105.07041	20.5
107.08586	31.4
109.06534	17.0
109.10161	50.4
111.11743	8.5
119.08582	31.0
121.06521	16.5
121.10128	29.1
123.08098	6.8
123.11707	18.9
126.25541	6.7
127.07605	7.6
130.23143	6.6
131.08583	9.7
133.10144	22.1
135.08084	17.4
135.11694	20.7
137.05988	29.5
137.09644	15.2
137.13280	9.1
138.06790	8.9
139.07555	42.1
143.08467	8.1
145.10143	12.9
149.09644	14.6
151.07527	21.7
151.49088	6.8
157.10109	12.8
159.11702	11.6
161.13258	9.2
163.07506	12.9
163.11224	8.1
163.14861	11.1
165.09091	55.5
167.07156	10.5
173.09579	14.0
177.09123	20.0
179.07072	12.3
189.12737	9.3
191.10609	10.0
203.10739	17.3
204.12758	7.9
223.24026	7.8
231.13733	8.1
247.75328	8.5
253.74654	7.5
401.34326	9.1
403.19287	8.0
433.23856	27.1
443.34836	34.1
446.20325	11.0
461.23148	100.0
461.35394	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	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
53.10052	3.3
55.01894	3.6
55.05510	35.1
57.07072	59.3
63.83012	3.7
65.03925	3.7
65.98524	3.8
67.05498	24.7
69.07066	56.5
69.30961	3.7
70.98362	4.7
70.98701	7.6
71.04964	4.8
71.08636	37.1
78.65047	3.3
79.05491	19.0
81.06593	5.9
81.07057	100.0
83.04964	9.5
83.08622	39.4
85.10179	21.1
91.05475	11.9
93.07048	21.3
95.08614	55.3
97.10177	24.0
99.04460	13.0
99.11736	5.6
105.07022	13.2
107.08622	16.6
109.06503	22.0
109.10152	33.6
111.04420	6.2
111.11716	19.1
119.08543	9.1
121.10166	17.1
123.08086	8.5
123.11676	11.8
125.05973	11.9
125.13271	6.9
126.13430	3.3
127.03925	22.4
131.08543	10.1
133.06517	6.1
133.10129	7.7
135.08038	8.0
135.11676	9.7
137.05981	78.3
137.13245	4.1
145.10144	21.2
147.11742	6.6
149.06009	4.1
149.09659	6.9
149.13245	9.4
151.07515	14.6
151.14801	5.5
153.05438	5.2
154.07762	3.8
157.10115	5.8
158.31046	3.7
159.11705	22.0
161.09598	6.0
163.07516	5.5
163.11224	9.2
163.14804	8.3
165.09090	7.7
167.07027	8.5
169.10110	5.8
171.11679	6.5
172.08861	9.0
173.09631	59.8
173.13208	5.7
175.11157	10.5
177.05424	12.6
177.09114	7.2
177.12703	4.5
179.18105	3.9
183.06508	9.8
187.11223	41.6
191.10701	11.8
195.06496	12.9
199.52687	3.2
203.10597	4.0
205.12265	30.4
219.13806	9.7
243.17560	3.7
277.28842	6.3
335.32852	7.9
383.33066	43.0
397.34567	16.2
401.34195	53.9
408.37711	3.6
410.53830	3.6
419.35080	4.7
425.34067	10.7
443.35254	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	461.3628
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
52.26742	4.6
54.46638	4.3
55.05513	37.5
57.07072	46.7
61.28900	4.0
63.08960	4.2
67.05509	29.6
69.07068	49.5
71.05000	5.1
71.05849	10.3
71.08630	27.8
71.53391	3.8
79.05493	13.1
81.07059	100.0
83.01331	13.2
83.08612	40.6
85.10175	15.2
91.05492	16.2
93.07054	21.6
95.04971	4.8
95.08060	7.9
95.08614	69.7
97.02886	5.2
97.10164	32.0
98.20906	5.4
99.04472	5.0
105.07029	17.6
107.08595	18.7
109.06507	13.2
109.10165	57.7
111.11739	16.6
119.08574	15.8
121.10156	13.5
123.08067	17.0
123.11727	34.4
125.05989	9.5
125.13287	5.2
131.08582	24.6
133.10110	10.4
135.08072	6.7
135.11685	10.1
137.06006	29.4
137.09532	4.9
137.13255	17.2
139.07526	9.5
145.10117	13.0
147.08014	5.6
147.11618	6.2
149.06017	22.3
149.09575	7.7
149.13303	7.1
151.07539	61.0
151.14868	11.1
153.05470	9.6
153.09106	5.0
157.10124	6.4
159.08037	7.7
159.11688	12.2
161.13246	5.8
163.07538	9.9
163.11104	6.5
163.14708	5.8
165.09171	25.5
165.16322	7.0
169.08649	6.7
173.09587	6.4
173.13226	5.2
175.07652	8.3
177.05376	5.6
177.09108	40.0
179.10718	7.8
187.11145	9.9
189.09111	6.1
191.10690	24.3
193.08621	18.3
193.12227	8.7
200.06871	4.6
201.12718	7.8
203.10710	4.9
205.12221	11.5
215.14159	5.4
217.12262	4.9
219.13799	12.9
229.12405	5.8
233.15341	7.0
235.24570	4.6
245.15154	5.4
247.16853	6.0
261.18576	5.3
263.27451	25.5
263.29837	5.5
275.19812	8.2
326.10471	4.4
333.24103	6.7
371.29517	8.3
383.32999	6.3
397.34726	10.6
401.34207	46.6
415.35776	23.4
425.34143	16.5
443.35168	73.9
461.36215	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.8
55.01865	6.1
55.05272	2.1
55.05514	29.3
57.03438	10.0
65.03937	6.0
67.05507	85.8
69.03420	3.5
69.07070	22.0
70.11681	4.3
71.01366	1.6
71.04994	5.7
73.06560	2.1
77.03892	1.9
79.05496	100.0
81.03416	19.6
81.07056	66.0
83.04974	18.3
83.08618	12.2
85.02882	1.6
85.06548	4.3
91.05484	76.9
93.07047	84.2
95.04969	24.2
95.08617	29.0
97.06534	16.4
97.10152	11.1
97.53511	1.4
99.08061	2.7
103.05473	1.4
105.04485	2.4
105.07036	45.1
107.04966	11.6
107.08603	38.7
109.06519	7.7
109.10180	10.0
111.08077	5.7
115.05472	2.8
117.07025	16.1
119.08585	27.4
121.06496	7.8
121.10152	21.5
123.08069	4.8
123.11708	2.2
125.09624	3.5
128.06229	4.2
128.48045	1.6
129.07007	22.8
130.07780	1.5
131.08548	17.8
133.06480	4.9
133.10101	13.7
135.08073	3.8
135.11696	36.0
137.09634	2.6
141.07027	4.3
142.07802	2.3
143.08540	12.6
145.06511	5.2
145.10123	16.7
147.08047	5.5
147.11684	28.8
149.09624	5.8
149.13275	5.8
155.08542	4.4
157.10133	10.2
159.08055	2.4
159.11749	5.1
161.09633	4.7
161.13214	9.6
163.11200	5.0
169.10130	3.6
171.11682	19.6
175.11221	5.9
177.12770	3.7
181.10188	3.9
181.12265	5.0
185.13271	3.6
187.11317	2.3
189.12740	9.5
193.10339	2.2
193.12263	5.9
197.13257	1.6
199.14868	1.9
207.13806	24.8
217.15862	2.3
221.13196	1.8
225.14848	3.6
269.17569	4.2
275.16373	1.4
276.90826	1.4
281.17682	2.8
333.22250	2.1
341.24915	2.6
351.23093	8.7
369.24396	11.8
387.25418	3.5
407.25586	1.7
417.26135	1.6
422.10410	1.5
425.26443	1.9
443.28024	10.0
461.29016	76.4
462.29364	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.0
55.01855	6.0
55.05274	2.0
55.05510	23.8
56.82380	1.6
57.03431	6.0
65.03919	2.6
67.05505	55.6
68.27557	1.5
69.03423	3.7
69.07061	18.7
70.75342	3.2
71.05000	5.0
78.37375	1.7
79.05494	49.8
79.59927	1.7
81.03417	60.1
81.07055	59.1
82.07360	1.8
83.04967	7.6
83.08617	22.8
85.02930	2.3
85.06525	4.3
91.05482	42.7
93.06483	3.2
93.07046	48.1
95.04962	36.5
95.08605	17.9
97.02866	2.5
97.06508	5.7
97.10181	10.7
103.05450	2.7
105.07037	30.1
107.04963	13.7
107.08582	28.3
109.06534	4.3
109.10156	7.6
111.08078	9.6
115.05419	4.1
117.07018	16.6
119.08591	17.9
121.06513	12.6
121.10148	15.5
123.08070	5.4
125.09615	6.5
128.06171	2.6
129.06990	17.2
131.04916	2.3
131.08562	21.5
133.06490	7.7
133.10115	14.4
135.08022	5.9
135.11667	7.2
137.09628	3.1
139.11180	1.9
141.06935	4.3
142.07765	2.7
143.08549	8.0
145.06459	7.3
145.10126	6.3
147.08022	5.8
147.11659	9.8
149.09628	9.0
149.13257	16.9
155.08583	4.5
157.10107	12.3
159.08041	4.9
159.11699	10.0
161.09596	4.0
162.45688	1.9
163.11185	3.4
165.12700	2.1
169.10201	5.5
171.11691	4.0
173.09660	2.9
173.13240	3.3
175.11153	8.5
177.12770	7.3
183.11699	2.1
185.13261	1.9
189.11232	4.7
193.12230	23.6
195.11687	2.2
195.13794	5.0
197.13382	4.8
199.14751	2.4
203.14362	1.8
215.14293	1.7
217.15805	4.1
231.13622	1.8
243.13771	2.7
249.15001	3.1
257.15390	2.8
296.35886	1.7
341.24811	3.7
343.22571	4.4
351.23404	10.6
369.24280	25.6
387.25195	9.9
394.00693	1.9
405.26089	3.0
407.25815	2.3
417.26212	4.0
443.27988	22.4
455.79498	1.9
461.28964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.4
55.01879	15.9
55.05511	24.5
57.03436	12.8
57.07062	4.2
59.04994	4.4
61.02916	8.3
67.05518	12.7
68.99777	4.0
69.03429	59.3
69.07067	55.9
69.51913	14.2
70.06598	11.9
71.04986	12.5
72.08143	3.5
73.02921	11.4
74.38660	1.8
78.54388	1.7
79.05479	6.5
81.03417	58.3
81.07062	31.8
83.04990	14.6
83.08594	6.7
84.04473	3.9
84.08139	6.8
85.02904	100.0
85.06548	21.6
86.09702	22.5
87.00826	33.8
87.04450	2.7
91.03933	3.2
91.05468	7.8
93.07043	15.4
95.04962	1.8
95.08608	43.1
97.02891	29.6
97.06531	7.1
97.10172	13.8
99.04453	21.4
99.08097	36.0
103.03967	2.4
105.01856	26.7
105.07027	7.1
107.04912	2.7
107.08585	23.8
109.02882	54.8
109.10144	16.2
111.08061	3.8
111.11714	11.4
113.09641	13.4
115.03938	2.1
117.01841	4.4
119.08564	2.7
120.08109	3.9
121.10143	28.8
123.04408	4.2
123.08057	2.7
123.11710	11.4
125.09616	10.5
127.03918	87.6
127.11162	2.9
129.01810	5.2
129.10207	4.6
130.06485	2.9
131.04855	2.0
131.08591	3.0
133.10112	9.2
135.11671	16.2
136.07614	3.4
137.05974	2.7
137.13245	17.0
138.74965	2.3
139.11201	9.7
144.08035	4.6
145.04958	28.6
147.02853	6.4
149.13275	5.1
151.14810	5.0
153.06711	2.3
153.12744	19.8
159.02888	26.7
177.16391	73.2
189.03871	3.3
195.17445	75.5
209.02586	2.9
213.03908	4.5
213.18489	53.7
231.04988	19.7
240.13087	2.0
280.09717	2.3
425.08765	2.2
461.23752	16.3
461.30872	13.4
488.28256	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.2
55.01867	12.2
55.05511	25.5
56.05033	4.0
57.03423	8.4
57.07057	5.3
57.44221	2.8
57.64852	2.8
59.04999	4.6
61.02914	4.7
67.05503	15.4
68.99787	3.3
69.03095	4.0
69.03433	56.5
69.07067	50.5
70.06584	20.2
71.04987	12.4
71.49742	2.7
72.08131	3.7
73.02911	10.9
75.18916	2.6
79.05490	9.6
81.03423	51.3
81.07053	26.2
82.40485	2.7
83.04967	11.4
83.08613	9.7
84.04491	3.5
84.08134	13.7
85.02905	100.0
85.06541	16.0
86.09705	33.1
87.00828	35.0
87.04450	3.0
87.10027	4.1
91.03998	2.7
91.05470	9.1
93.07050	16.8
95.04965	6.1
95.08609	47.5
97.02889	35.3
97.06515	9.7
97.10170	13.5
99.04466	16.7
99.08095	28.5
103.03921	3.2
105.01870	23.5
105.07018	6.7
107.08580	24.8
109.02881	52.5
109.10160	21.4
110.07144	2.6
111.08084	5.0
111.11711	8.0
113.09651	12.0
115.03932	3.1
117.01833	6.3
119.08586	3.9
120.08063	5.1
121.10152	31.4
123.04433	4.7
123.11716	9.2
124.07637	3.4
125.09621	9.4
127.03921	79.4
127.11156	3.2
129.01846	6.4
129.10240	4.7
133.10135	16.1
135.11728	15.4
136.07588	6.5
137.05969	4.1
137.13261	15.5
139.11180	7.1
144.08055	4.0
145.04967	21.5
147.04381	3.0
148.83757	2.7
149.13268	4.5
153.12744	19.4
157.10048	2.7
159.02898	22.2
163.07373	3.4
164.07106	3.4
167.07150	3.6
175.07359	2.6
177.05469	3.3
177.16388	76.5
189.03906	2.8
195.17426	73.0
195.19121	4.0
209.02710	6.3
213.03920	5.8
213.18483	50.0
217.13602	4.2
231.04956	17.5
237.18367	3.7
271.10925	2.8
303.19464	2.9
311.05560	2.9
313.06772	2.6
389.15994	2.6
430.12985	3.7
461.18518	5.1
461.24033	12.6
461.30884	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	460.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
53.55165	1.0
55.01863	1.9
55.05518	8.7
56.05017	3.0
57.03415	1.4
57.07064	2.7
58.02964	1.1
60.04511	2.3
61.02908	1.9
64.49194	1.1
65.03274	1.1
65.03943	1.5
67.05506	15.6
69.03429	5.3
69.07068	11.4
70.06601	6.6
71.08616	1.5
71.49282	1.2
72.04504	1.2
79.05492	12.5
80.05042	2.5
81.03403	4.5
81.07063	16.0
82.06583	5.2
82.40133	1.0
83.04981	1.6
83.08617	6.3
84.08147	2.5
85.02895	7.5
86.06059	2.4
86.09719	1.1
89.91628	1.0
91.05478	11.8
92.05768	1.2
93.07035	8.8
94.06577	7.0
95.04961	3.0
95.07354	1.5
95.08598	10.7
96.08126	3.2
97.02894	2.4
97.10159	3.6
98.06068	1.0
100.07613	2.4
105.07020	6.5
106.07359	1.1
107.04927	1.7
107.08565	3.8
108.08079	1.5
109.10150	5.0
110.43133	1.0
119.08586	5.1
120.08134	1.1
121.06485	1.6
121.10120	3.7
123.11644	1.1
125.09612	1.5
127.03900	1.3
131.08546	1.8
133.10130	5.2
135.11650	2.7
145.06517	1.6
145.10037	1.1
147.11693	1.7
245.22577	1.3
250.25273	4.6
262.22598	2.2
262.25293	29.0
264.26834	3.1
280.26361	100.0
281.26611	1.6
298.27234	2.9
308.61929	1.1
368.23047	1.7
369.24191	1.6
412.30948	1.4
424.30634	2.2
442.31705	7.2
442.36731	1.2
460.27533	4.6
460.33099	2.5
461.28860	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	460.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56100	1.1
55.05502	1.4
55.88859	1.1
56.05043	1.8
59.04755	1.2
59.05001	13.1
63.76723	1.1
69.03401	1.1
69.07059	1.3
70.06593	11.1
70.56316	2.0
70.56668	3.3
72.08144	4.9
72.28558	1.1
73.02905	2.5
74.06091	2.9
74.09711	2.9
74.67633	1.1
77.06046	1.3
84.04482	3.6
84.08127	6.2
85.02904	1.7
85.08479	1.4
86.06068	1.9
86.09708	13.0
87.04467	32.4
89.06030	74.9
91.05469	2.7
97.02888	2.3
103.03941	100.0
103.07573	5.3
107.07082	2.1
107.08588	1.1
117.05481	4.8
119.07043	1.4
121.08613	2.2
124.07611	2.2
129.10239	2.6
129.13368	1.1
131.07018	10.5
133.08603	41.9
135.08029	1.3
136.07550	4.5
138.09065	2.1
143.95901	1.2
144.06538	1.5
147.06525	11.5
147.10074	1.5
152.72993	1.2
157.07231	1.1
163.09648	4.7
171.14893	1.4
175.09679	4.0
177.11198	15.5
191.09167	4.9
191.76187	1.1
194.11696	1.6
202.08543	1.3
202.73540	1.2
207.12276	3.8
212.12819	4.7
219.12273	1.4
221.13809	3.2
235.11754	7.3
242.14848	1.8
251.14951	2.2
279.14474	3.3
283.17508	1.8
308.11084	1.6
334.94653	1.2
339.20129	4.0
363.13980	1.2
367.19675	2.2
385.20630	16.3
424.16763	1.2
443.24899	4.6
460.18842	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	460.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.0
57.03431	5.0
59.05002	100.0
61.57620	1.0
69.03415	3.3
70.06593	8.9
71.06938	1.3
71.08676	2.3
72.08150	2.6
83.64352	1.0
84.04511	1.4
84.08137	3.3
85.02907	6.7
86.09718	6.3
89.06026	15.6
97.02867	2.9
101.09675	1.1
103.03957	2.3
103.07570	3.6
107.07078	15.8
116.07018	1.2
117.09127	25.2
120.08111	3.5
123.04341	1.5
127.03874	2.2
129.10268	1.5
133.08592	1.4
136.07603	1.7
147.10178	4.9
161.11740	2.1
165.11243	12.2
175.13309	6.9
177.16454	1.2
184.86989	1.1
223.15459	4.4
281.19586	56.5
309.44760	1.1
329.06528	1.2
460.20496	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	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.7
54.28052	1.4
55.01880	8.9
55.05507	1.8
57.03435	4.9
59.04996	1.4
60.04528	1.2
61.02927	5.9
67.05495	1.5
68.99792	3.1
69.03434	29.9
69.67803	6.9
70.06593	13.3
71.04989	3.7
71.06908	1.7
73.02919	6.8
79.05495	1.6
81.03420	31.4
84.08145	3.3
85.02908	75.1
86.06088	1.3
86.09712	3.4
87.00838	32.9
87.04465	1.5
89.06017	2.6
91.03949	2.2
91.05498	4.2
93.07011	1.4
95.04974	1.3
95.08617	1.3
97.02898	29.7
98.06075	1.8
98.20742	1.9
99.04458	15.0
101.03820	1.2
103.05473	5.0
105.01875	24.1
105.07030	4.4
107.04959	8.0
107.08627	1.7
108.04486	10.2
109.02151	1.9
109.02886	29.6
117.01875	3.7
117.07004	1.9
118.07002	1.3
126.05516	4.9
126.51218	1.3
127.03928	54.0
129.01857	3.3
129.10262	4.5
133.10201	1.6
135.08023	7.2
136.07585	3.7
139.03911	3.4
145.04967	24.9
147.02904	2.8
153.05539	1.7
154.06247	30.8
154.40350	1.4
159.02902	17.9
163.07573	25.4
165.09126	2.6
167.06981	2.2
189.04005	2.0
195.10175	100.0
212.05598	1.5
213.04030	2.1
221.08324	1.3
226.33119	1.4
230.06644	3.2
231.05017	12.0
248.07710	6.6
266.08899	2.2
280.38043	1.3
424.14346	1.3
425.49570	1.3
460.28061	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.07094	1.0
59.05008	1.4
67.05508	3.0
69.03436	15.0
69.07081	3.9
70.99960	0.6
71.00316	1.3
71.04993	1.0
77.81893	0.5
77.85268	0.6
79.05501	1.7
79.57963	0.5
81.07059	5.1
83.08608	1.4
83.48299	0.6
85.06545	100.0
91.05486	1.9
93.07049	4.9
95.08610	11.3
97.06536	2.3
97.10165	1.3
105.07027	2.6
107.08599	7.1
109.10149	9.3
111.08083	65.6
111.11739	1.1
119.08597	2.1
121.10139	6.0
123.11703	3.4
125.09631	1.4
131.08588	0.7
133.10126	3.8
135.11694	4.5
137.13246	1.3
137.42033	0.6
139.11252	0.7
143.10593	1.3
145.10121	0.8
147.11710	2.1
149.13255	4.7
151.11217	0.6
153.63405	0.6
159.11728	1.1
161.13266	1.6
163.14845	2.2
167.14339	1.0
173.13239	0.9
175.14838	1.2
177.16422	1.7
184.34943	0.5
185.13229	0.6
187.14813	0.8
189.16518	0.6
191.17963	1.0
203.18071	0.8
205.19472	5.6
217.15797	0.7
217.19612	1.4
223.16840	0.6
231.21205	0.6
233.24326	0.6
257.22568	0.8
333.27930	1.1
423.36127	0.7
441.37030	1.5
459.38455	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	459.3834
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
55.05518	14.3
57.07081	5.6
59.05013	2.5
67.05183	3.7
67.05508	41.4
69.07069	27.0
69.42455	21.6
70.07361	2.6
79.05486	16.2
81.07062	62.0
83.08619	11.6
85.06538	8.7
91.05484	17.6
93.07059	42.1
95.08612	100.0
97.10176	5.6
97.96130	2.4
98.34928	2.6
105.07033	32.5
107.08597	63.3
109.10165	75.4
110.50532	2.6
111.11736	5.3
119.08585	49.1
121.10148	49.9
123.11697	28.8
123.97503	3.4
125.09627	5.2
130.51541	2.5
131.08586	6.6
133.10141	27.8
135.11690	45.3
137.06020	4.0
137.13274	11.0
139.11127	2.9
141.09114	4.7
145.10143	7.4
145.32465	2.8
147.11720	34.8
149.09637	2.6
149.13269	26.5
151.14876	2.8
159.11690	18.1
161.13252	20.9
163.14888	20.4
173.13319	7.5
175.14853	10.5
177.16402	9.6
179.07056	3.7
187.14845	6.2
189.16428	10.2
191.17996	9.2
192.28944	2.6
193.12268	4.0
201.16440	8.7
203.17952	24.0
205.19518	3.6
215.17984	5.2
217.19540	17.2
229.19644	2.8
231.21086	7.9
251.57018	3.3
270.20276	2.6
273.21875	3.2
359.29272	4.6
367.33710	6.6
373.30991	3.1
385.34760	4.0
423.36230	5.8
441.37296	24.4
459.38791	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	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.05506	13.0
57.03421	2.0
57.07075	11.2
58.21936	1.5
59.04993	2.8
65.03927	2.5
67.05505	34.3
69.07066	28.7
69.50661	10.7
71.04990	3.7
71.08620	4.7
71.19839	1.4
73.02905	3.3
76.24319	1.4
79.05494	30.2
81.06593	2.9
81.07055	50.9
83.08607	12.1
85.06539	6.3
85.10201	2.9
91.05473	23.5
93.06486	2.7
93.07040	40.4
95.04991	2.6
95.08606	62.1
97.06509	3.9
97.10163	7.2
105.06311	2.6
105.07029	51.5
107.08594	100.0
109.06486	3.7
109.10156	68.3
111.08092	2.9
111.11717	3.1
117.07020	4.0
119.08575	38.1
121.10143	53.8
123.08073	2.4
123.11710	21.5
125.06000	8.1
125.09628	3.3
127.03925	3.1
131.08562	9.7
133.08617	1.9
133.10132	32.7
135.11685	29.0
137.05971	3.9
137.09564	1.8
137.13248	10.2
139.11177	5.5
143.08502	1.8
145.10110	10.1
147.11681	24.4
149.13254	22.2
151.11157	15.4
151.14793	4.7
152.64548	1.5
157.10103	2.8
159.11720	11.1
161.13264	18.3
163.14815	14.2
165.12680	2.5
165.16481	2.8
167.07101	2.2
167.10674	4.1
167.14279	2.3
169.12209	3.0
171.11693	2.8
173.13217	5.1
175.11113	1.6
175.14796	12.0
177.12695	1.5
177.16341	7.9
179.14336	3.2
181.12126	1.8
185.13234	3.1
187.11212	1.6
187.14832	5.2
189.16360	11.2
191.17967	5.5
195.13771	2.3
199.14803	1.6
201.16405	7.0
203.17938	13.2
205.15808	2.0
205.19537	3.8
207.17406	4.3
213.16406	1.8
215.18054	4.0
217.19536	10.4
219.17374	2.8
229.19492	2.3
233.18965	2.8
236.31694	1.4
243.21190	3.1
245.22679	1.9
249.18443	5.5
271.24060	2.7
275.27261	4.9
285.25797	2.8
289.21494	2.0
317.24777	6.2
318.55286	1.6
359.29529	7.2
367.33539	4.4
385.34811	2.8
395.32974	1.8
423.36234	4.9
439.98721	1.6
441.37460	18.7
459.32648	2.5
459.38458	33.5
459.44675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.9
57.03406	2.6
57.07065	6.4
59.04992	4.5
59.05774	2.1
63.19817	2.3
65.03927	3.3
67.05506	39.0
68.55621	2.3
68.58815	2.1
69.03429	5.9
69.07076	34.4
71.08626	3.2
72.82943	2.0
79.05492	18.1
81.07056	64.3
83.08641	12.0
85.06548	56.9
91.05481	20.4
93.07047	59.5
95.08613	100.0
96.27330	2.2
97.06507	3.5
97.10171	6.8
98.21536	4.8
105.07034	34.4
107.07885	4.1
107.08600	75.3
107.42653	2.4
109.10161	80.2
111.08091	38.5
111.11705	3.8
117.06957	4.0
118.97935	2.1
119.08595	43.2
119.38794	2.5
121.10144	80.8
122.89664	2.3
123.11705	27.2
125.09576	2.7
131.08554	5.5
133.10135	32.5
135.11690	35.0
137.13263	16.9
139.11203	8.3
141.09119	4.9
145.10117	9.7
147.11685	32.9
149.13249	43.5
151.11189	5.6
151.14795	5.8
153.12883	2.6
155.96367	2.3
159.11653	12.8
161.13246	26.8
163.14828	24.3
165.12839	2.8
165.16388	2.4
173.13298	5.4
175.14839	15.3
177.16403	5.3
185.30992	2.2
187.14838	5.8
189.16391	10.4
191.18002	9.0
201.16414	7.1
203.17947	23.8
205.19598	5.7
207.17465	6.6
208.34189	2.9
215.17873	5.2
217.19516	20.9
219.21135	3.3
221.15408	4.1
229.19382	2.7
231.20912	2.9
235.17009	2.4
243.21072	4.4
249.18517	8.7
271.20334	2.4
271.24081	3.6
285.25681	4.1
303.26749	4.3
317.24759	7.1
325.54575	2.7
359.29352	8.7
367.33459	4.7
385.34784	5.3
441.37219	25.4
459.38647	17.5
460.90710	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	459.3832
Annotation	Longispinogenin
Peak:m/z	Relative Intensity
55.01855	4.7
55.05516	27.5
57.07059	11.4
59.04993	14.4
62.48452	3.9
67.05499	37.2
69.03424	19.6
69.07068	57.7
71.04996	3.8
79.05497	25.9
80.62804	3.5
81.07061	68.9
83.08607	26.2
85.06544	12.1
88.70699	4.8
91.05486	21.6
93.07051	67.9
95.08609	100.0
97.06522	17.3
97.10149	8.2
98.21555	6.2
105.07028	46.7
107.08589	93.4
109.06529	5.4
109.10161	72.8
111.08080	16.9
111.11712	9.5
115.96052	4.3
119.08594	64.4
120.12120	4.3
121.10152	73.2
123.11712	39.7
125.09632	20.8
127.07562	4.0
131.08545	10.5
133.10127	51.3
135.11694	51.8
137.13252	19.6
139.11150	8.3
143.08607	5.5
145.10149	28.8
147.11697	46.5
149.09605	5.2
149.13252	64.4
151.07600	5.1
151.11325	4.0
157.10092	7.4
159.11671	30.6
161.13210	26.9
163.14822	13.6
167.14319	24.9
171.11716	14.5
173.13293	15.8
175.14813	18.3
177.16385	16.4
183.11639	4.2
185.13248	10.8
187.14850	24.7
187.42532	4.3
189.16411	11.7
190.64821	4.0
191.17944	10.3
199.14862	9.3
201.16380	44.1
203.17952	44.5
211.14763	6.4
213.16380	11.7
215.17851	11.6
217.19493	14.2
227.17940	18.2
229.09373	4.9
229.19479	5.0
233.18997	27.3
239.17833	5.3
251.20125	6.8
255.21150	5.5
257.22806	6.6
269.22717	23.3
281.22656	4.4
287.23578	6.7
405.35510	6.9
423.31021	5.5
423.36304	96.1
441.37692	20.4
459.38870	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	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
54.59992	4.1
55.01871	7.1
55.05515	20.5
57.03440	6.9
57.07067	15.7
57.07328	4.3
67.05502	49.3
67.68391	4.5
69.07066	44.6
69.39778	36.3
71.05002	7.6
79.05492	29.3
81.07059	71.4
83.04960	5.5
83.08627	22.2
85.06559	9.4
88.46341	4.0
89.06059	5.4
91.04995	5.1
91.05480	28.4
93.07041	56.6
95.08614	96.6
97.06523	6.6
97.10188	7.5
105.07047	41.2
107.08604	78.9
109.10157	100.0
111.08070	12.3
113.09624	5.5
119.08582	52.9
121.10140	65.2
123.08066	11.9
123.11691	33.5
125.09640	10.7
127.11204	4.9
131.08548	12.6
133.10152	55.5
135.07986	4.8
135.11713	44.5
137.13257	15.8
139.11212	6.8
143.08638	5.2
145.10168	23.8
147.11700	49.8
149.09544	5.5
149.13254	26.6
151.07535	21.9
151.11127	7.7
151.14795	7.1
157.10164	9.3
159.11722	26.0
161.13264	36.1
163.14862	12.8
169.26653	4.0
171.11717	7.6
173.13277	19.4
175.14815	14.1
177.16415	7.8
179.14406	8.0
185.13335	6.4
187.14844	12.4
189.16400	14.3
191.10674	11.0
191.17992	6.1
199.14803	8.6
201.16399	17.8
203.17966	17.9
205.15846	5.4
205.19540	7.7
207.17403	5.7
213.16452	12.3
215.18054	7.9
217.19453	21.2
219.17493	4.9
227.17972	8.9
245.18990	5.1
260.11273	4.5
309.22650	4.4
327.26947	4.5
341.28183	7.4
383.33160	4.9
385.34537	13.3
394.94797	5.0
405.35248	4.8
423.36270	31.5
441.37524	22.0
452.55460	4.5
459.38245	14.1
461.75674	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	459.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54626	0.5
55.05495	1.3
56.37198	0.5
67.95743	0.5
69.03423	1.0
70.06588	4.5
70.46236	1.8
72.08152	8.9
73.06556	1.4
84.04486	0.9
84.08143	2.5
85.02873	0.9
86.09715	5.8
87.04461	6.4
89.06029	100.0
90.06343	0.7
91.07581	0.9
107.07092	1.3
107.48529	0.5
112.56184	0.6
117.26192	0.5
131.07050	2.3
132.10196	0.7
133.08603	47.2
136.07599	1.7
137.05977	0.6
161.44232	0.6
166.04655	0.6
175.09677	0.8
177.11211	11.3
199.18024	0.6
201.12410	1.8
203.08226	0.6
221.13860	0.9
229.11816	2.6
231.17012	1.1
231.56311	0.6
239.14938	0.7
284.32651	0.7
328.18582	0.6
352.06467	0.6
459.18311	0.9
459.28140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
54.84189	1.7
55.01860	1.5
55.05515	14.9
57.07074	4.2
61.70604	1.5
63.55439	1.6
67.05185	2.5
67.05510	37.5
69.03398	1.6
69.07072	27.6
71.08614	3.6
74.72527	1.7
79.05500	18.1
81.06602	3.2
81.07058	56.9
82.30268	1.4
83.08623	9.9
85.06519	9.1
91.05492	16.0
93.07047	34.7
95.04929	1.8
95.08611	93.1
97.06517	3.6
97.10189	8.0
99.08025	1.8
103.05506	1.8
105.07032	32.6
107.07877	3.0
107.08599	54.5
107.16051	1.5
109.06519	2.4
109.10161	67.7
111.08089	3.5
111.11709	2.4
117.07025	1.9
119.08588	45.8
121.10150	43.4
123.08029	3.9
123.11710	24.2
125.09593	4.6
127.67529	1.7
129.06972	1.8
131.08557	5.9
133.10135	26.6
135.11705	35.5
137.13275	10.6
141.09119	3.9
143.08546	3.3
145.10149	10.7
147.11681	30.1
149.13249	26.1
151.14828	3.6
157.10031	2.0
159.11684	19.9
161.13263	25.3
163.14833	17.1
165.09052	3.1
173.13234	6.9
175.14810	10.0
177.16408	9.6
177.49213	1.8
179.14191	1.9
185.13271	2.6
187.14838	5.1
189.16393	11.1
191.17926	6.4
195.13786	2.5
199.14722	1.7
201.16402	7.3
203.17952	24.0
205.19501	4.4
213.16554	1.9
215.17967	4.5
217.19527	20.3
223.16643	2.3
229.04520	2.1
229.19522	2.7
231.21059	4.0
257.22504	2.6
285.25772	3.4
359.29523	5.0
367.33685	3.9
385.34918	2.0
387.16226	3.2
400.17145	2.3
401.17780	8.4
415.15149	3.8
416.19821	2.1
423.36172	3.3
429.16885	14.3
430.17755	4.0
431.18863	5.2
441.37283	20.7
443.18750	5.9
444.19330	7.4
445.20160	5.7
459.21722	100.0
459.38385	26.2
460.22467	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01882	10.3
55.05512	65.1
57.02049	1.3
57.03442	7.2
59.05008	1.5
65.03923	3.0
67.05141	1.8
67.05507	50.7
69.03431	6.0
69.07066	16.4
69.14034	13.1
79.05495	54.1
81.03400	4.4
81.07056	42.6
81.07533	2.1
83.04971	6.7
83.08158	1.9
83.08620	28.8
85.06506	1.8
86.04590	1.7
91.05483	45.3
93.07045	20.6
95.04968	5.3
95.08611	15.5
97.06519	1.8
97.10173	54.4
98.20787	2.4
103.05476	26.9
105.03384	3.3
105.04512	1.8
105.06324	1.8
105.07037	34.9
107.04942	5.1
107.08591	26.5
109.06491	3.8
109.10161	11.5
111.08126	3.1
115.05461	12.0
116.06264	1.9
117.07022	59.7
119.04990	1.4
119.08574	15.4
121.06505	4.3
121.10149	3.9
123.08067	2.6
125.09634	47.9
128.06239	8.9
129.07008	28.4
130.07814	1.9
131.04898	6.4
131.08566	45.2
133.06482	9.0
133.10133	7.1
135.08078	10.9
137.09602	2.8
141.06989	13.5
142.07790	2.1
143.04904	1.7
143.08543	16.7
143.10739	1.6
145.06485	15.8
145.10129	15.7
147.08069	4.0
147.11667	1.9
149.09628	6.8
151.62451	1.5
153.06984	2.0
153.09108	5.7
154.07817	2.6
155.08565	20.3
156.09392	1.9
157.06477	5.8
157.10112	5.9
159.08092	6.4
159.11726	7.4
161.06033	1.7
161.09665	2.3
162.28951	1.5
165.06990	3.9
167.08534	7.0
168.09319	2.6
169.10139	13.1
171.08089	3.9
171.10172	6.4
171.11703	10.6
173.09622	4.3
173.13263	2.7
179.08569	3.1
181.10138	4.5
182.07263	1.5
182.10895	3.1
183.08084	2.4
183.11697	4.0
185.09619	3.4
185.13281	2.0
187.11188	1.8
187.14818	21.0
189.11226	30.0
193.10127	1.8
195.08171	1.9
195.11749	5.6
197.09489	2.8
197.13280	23.0
199.11284	2.5
205.10234	1.8
209.13301	2.3
213.12732	8.1
215.14323	100.0
216.14658	1.9
219.11673	1.8
221.13457	1.6
223.11238	3.1
223.14717	1.9
227.12720	33.2
233.15398	3.6
237.12746	2.6
237.16386	1.6
239.14401	1.9
241.12288	6.5
241.15848	1.8
245.13747	4.4
255.13928	2.1
257.15393	1.5
259.13382	4.0
269.15433	4.4
271.16977	7.7
287.16510	1.8
315.16302	1.6
321.22156	1.9
331.20743	2.8
339.23236	5.8
349.21698	17.5
357.24316	2.7
367.22668	39.7
385.23749	28.9
403.24768	7.1
405.24005	1.7
423.25146	2.8
441.26385	63.6
459.27432	96.2
460.27823	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
54.28691	1.1
55.01852	1.7
55.05505	1.7
57.03421	1.5
58.49776	1.4
61.02912	1.5
67.05485	3.6
68.99791	1.5
69.03414	4.9
69.07050	3.5
69.37544	9.4
70.06215	1.6
70.06587	18.9
71.04974	1.8
72.08126	3.5
73.02908	2.3
73.56881	1.1
79.05486	4.2
79.43386	1.2
81.03407	4.8
81.07053	10.7
84.04495	1.8
84.08147	8.4
85.02910	12.5
86.09693	11.2
87.00822	3.2
89.06017	2.9
91.05499	6.7
93.07023	4.8
95.08614	11.5
97.02872	4.0
99.08086	3.9
105.01854	3.9
105.06503	1.3
105.07034	13.3
107.08605	11.7
109.02880	2.8
109.10124	3.5
113.09642	2.1
119.08584	40.3
120.08107	1.7
120.08897	1.4
121.10119	2.2
123.11674	2.0
127.03906	4.5
129.10243	5.6
130.06531	1.6
131.08534	2.3
133.08595	2.3
133.10129	54.0
133.65198	1.1
135.11708	11.0
136.07565	4.8
144.08063	7.8
147.11661	4.2
159.02863	1.7
159.11713	1.3
165.09059	1.9
175.14825	100.0
176.15303	1.3
178.98164	1.1
179.06735	1.2
193.15875	12.2
211.16924	4.3
221.12762	1.2
307.10751	3.4
309.07568	2.1
459.15631	5.0
459.28967	4.3
466.36441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57202	3.0
53.03941	5.1
55.01860	11.0
55.05512	64.7
57.03425	8.7
59.04989	3.5
67.05186	5.0
67.05510	60.6
67.92585	2.9
69.03412	11.0
69.07069	19.4
70.06574	3.9
71.04989	5.8
71.49224	3.6
79.05070	5.1
79.05494	62.0
80.05812	4.2
81.03437	15.2
81.07066	50.2
83.04988	5.7
83.08625	34.9
84.68466	3.0
85.06522	7.3
86.09740	3.3
90.33969	3.0
91.05483	57.5
93.07050	29.8
94.07406	3.5
95.04954	13.0
95.08608	30.4
97.06519	3.9
97.10167	55.9
99.08131	2.7
103.05479	22.7
105.03391	3.4
105.07034	40.9
107.04950	9.8
107.08594	32.9
108.08908	5.1
109.06481	5.3
109.10145	18.6
111.08051	6.2
115.05449	12.1
117.06249	3.5
117.07027	62.8
119.08574	27.7
121.06483	7.3
121.10139	12.8
123.08108	3.1
123.11723	5.5
125.09631	46.1
128.06216	11.0
129.07005	27.8
131.08571	51.2
133.06519	9.6
133.10098	12.0
135.08051	12.9
135.11708	6.8
137.09651	3.6
141.07007	15.5
141.07892	3.2
142.07771	4.0
143.08578	15.2
145.06499	18.5
145.10109	19.1
147.07999	6.3
147.11665	7.8
149.09610	7.8
149.13263	3.6
153.06966	4.4
153.09042	6.2
155.08565	19.5
157.06450	4.7
157.10138	10.0
159.08052	5.9
159.11642	9.9
161.09677	3.0
161.13229	3.7
165.07007	3.0
165.09116	7.5
167.08543	8.2
169.10155	11.7
171.08080	6.0
171.10300	3.1
171.11710	10.5
173.13269	6.6
175.11104	6.6
181.10097	3.7
185.13194	3.9
187.14799	22.1
189.11234	32.9
193.12245	5.6
195.11664	7.0
197.09576	3.3
197.13260	23.2
209.13235	3.3
211.14873	4.3
213.12801	8.7
215.14322	100.0
223.11177	3.8
227.12834	31.5
233.15381	6.8
237.12762	3.4
241.12296	8.3
271.16901	9.1
316.00070	3.2
331.20428	4.2
339.23190	8.8
349.21606	11.7
357.24057	4.8
367.22668	38.8
385.23709	32.1
403.24701	11.6
423.35229	8.3
441.26379	63.8
442.09760	3.7
459.27356	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	458.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35602	1.1
60.53989	1.1
69.24850	3.1
69.25268	6.9
70.06593	63.5
106.14463	1.2
116.07094	100.0
121.62803	1.1
138.05486	2.3
216.97736	1.0
222.64201	1.3
458.09952	1.5
469.91040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09697	1.4
55.01873	1.5
55.05509	7.2
57.07051	3.2
59.05018	1.7
61.02917	1.3
63.20980	1.3
67.05499	14.6
69.03430	7.8
69.07071	11.2
70.60942	2.6
70.61314	2.9
71.04979	3.0
71.26273	1.3
79.05492	2.2
81.03404	4.0
81.06660	1.7
81.07063	19.3
83.04991	8.3
83.08611	6.4
85.02897	8.8
85.06515	2.6
87.00812	3.1
91.05485	2.5
93.07051	8.1
95.08067	2.4
95.08610	27.5
97.02895	2.4
99.04457	1.9
99.08088	3.4
105.01871	3.4
105.07014	6.8
105.13632	1.5
107.08596	23.9
109.02834	2.8
109.06512	8.4
109.10157	95.0
111.08083	4.7
119.08587	37.0
121.10146	12.5
123.08067	11.7
123.11694	6.1
127.03914	5.0
128.18581	1.3
133.10129	20.0
135.11693	100.0
137.09612	13.3
139.11186	1.5
147.11525	1.4
149.13263	4.5
151.11192	7.8
151.14795	7.9
160.94156	1.5
165.16336	2.1
175.14835	46.8
188.18105	1.5
193.15880	69.1
211.16927	58.4
298.76044	1.5
350.30762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Kuguacin B
Peak:m/z	Relative Intensity
51.19390	1.4
53.03949	5.1
55.01867	9.4
55.05510	17.0
57.03434	3.0
57.07078	4.7
59.05005	6.5
65.03940	2.3
67.05500	31.2
69.03419	11.6
69.07066	32.5
69.32525	11.6
71.04997	2.3
71.08638	1.6
79.05492	27.6
79.72895	1.6
81.07054	54.3
81.07530	3.2
83.04994	8.0
83.08621	15.7
85.06563	6.2
90.10698	1.6
91.05472	25.0
93.07041	50.3
95.04996	3.0
95.08601	55.5
97.06522	9.3
97.10192	2.8
99.08104	2.4
103.05405	1.8
105.07030	49.2
107.08588	93.7
109.06503	16.0
109.10154	75.3
111.08078	25.6
111.11748	3.0
117.07034	5.7
119.08575	53.6
121.10143	47.7
123.08047	9.5
123.11702	14.6
125.09619	19.8
129.06999	2.9
131.08572	14.6
133.10132	43.8
135.08145	1.5
135.11688	44.9
137.09612	11.3
137.13220	7.3
139.07526	8.4
139.11247	4.7
143.08572	7.1
144.09348	3.0
145.10114	28.1
145.11168	2.7
147.11684	55.7
147.12808	3.1
149.09633	5.6
149.13272	16.3
151.11156	3.0
153.09135	1.6
153.12744	3.3
156.09381	2.8
157.08876	2.7
157.10123	15.0
159.11687	28.9
161.13242	18.7
161.14488	2.6
163.11182	4.2
163.14774	8.4
165.09195	4.7
165.12752	55.0
169.10152	3.5
171.11690	12.4
173.13246	16.3
175.11235	6.7
175.14807	13.8
177.12801	2.3
177.16434	3.9
183.11719	5.7
185.13231	12.7
187.14815	19.8
189.12756	1.9
189.16435	4.1
191.14259	3.2
191.17990	4.2
193.12225	21.8
193.15857	7.7
197.13228	3.4
199.14809	10.0
201.16380	43.1
203.17957	36.8
209.13287	3.7
211.14809	3.7
213.16327	15.9
215.17909	7.5
217.15970	2.1
221.15318	2.3
223.14835	2.9
225.16426	4.2
227.17940	12.5
229.19582	5.0
231.17384	9.0
233.19025	2.6
237.16431	4.4
239.17978	3.6
241.19606	5.0
249.18507	29.0
251.17960	3.9
253.19412	7.8
255.21198	6.0
257.22711	5.9
263.18201	1.8
267.21030	5.8
269.22638	34.7
279.21143	2.0
281.22794	2.8
287.23724	6.9
293.22635	5.7
299.23611	1.9
305.24811	6.0
307.24274	2.8
311.23578	2.1
321.25998	2.9
329.24774	4.4
347.27234	2.7
361.28790	2.5
365.28717	2.1
403.33578	38.8
421.34631	100.0
422.34949	2.9
433.68607	1.7
439.35632	14.2
457.30701	3.0
457.36768	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	457.3677
Annotation	Cornulactic acid
Peak:m/z	Relative Intensity
51.21756	0.6
53.03945	0.8
55.05516	4.1
57.07082	3.7
67.05502	5.7
69.07073	13.0
69.41237	0.7
70.06593	0.7
70.09633	2.6
71.08636	1.7
72.63141	0.6
79.05492	3.6
81.07059	19.1
83.04962	0.9
83.08641	4.3
91.05457	3.1
93.07045	9.0
95.08612	29.5
97.10147	2.1
105.07037	6.7
107.08597	14.1
109.06567	0.9
109.10162	15.7
110.36549	0.7
111.08065	0.8
111.11716	3.0
112.69656	0.7
117.07001	1.0
119.08595	10.6
121.06590	0.8
121.10150	12.4
123.08075	1.6
123.11710	7.9
125.06007	0.8
125.09635	1.4
131.08580	2.2
133.06497	0.9
133.10133	11.9
135.11679	6.2
136.80257	0.8
137.05998	0.9
137.09639	1.0
137.13257	12.2
139.07547	1.6
142.07787	0.8
143.08594	1.4
145.10106	4.9
147.08080	1.0
147.11707	7.4
149.09639	1.5
149.13219	3.8
151.07545	1.8
151.11224	0.7
151.14816	2.4
153.09123	2.4
157.10112	2.1
159.11722	4.3
161.09630	1.0
161.13252	4.6
163.11140	1.0
163.14819	1.7
164.00441	0.7
165.09137	2.9
171.11702	2.2
173.13252	3.0
175.11325	1.3
175.14832	9.4
177.15068	0.8
177.16385	4.8
179.10675	2.4
181.12263	0.9
183.11627	0.6
185.11734	0.8
185.13295	3.1
187.11206	0.8
187.14861	2.6
189.16412	3.6
191.10738	0.9
191.17841	3.5
193.12195	1.6
199.14825	1.7
200.20139	1.4
201.12762	0.7
201.16420	3.0
201.20309	1.4
203.14352	2.0
203.17984	3.6
205.12218	1.0
205.19597	1.7
207.13960	1.2
207.17346	0.9
213.16331	1.7
215.17877	1.8
217.19569	2.0
219.13887	0.8
219.21257	0.8
220.62009	0.7
221.15425	3.6
227.17821	1.0
229.19606	3.7
231.17461	1.2
231.21100	1.0
235.17059	1.7
241.19583	1.4
243.17490	1.4
243.21082	12.9
245.22649	1.9
247.16945	1.2
247.20576	1.2
249.18559	1.7
255.21056	1.1
257.19052	0.8
257.22510	0.9
261.18698	1.0
269.22556	1.1
275.20056	1.4
283.20776	0.9
283.26611	1.1
284.26675	3.1
285.22247	0.7
287.20181	1.0
289.21680	1.6
301.21619	4.3
302.22189	0.7
303.23291	3.0
315.23141	0.8
329.24725	0.7
343.25897	0.8
393.35205	3.2
411.36224	23.9
421.34680	4.1
439.35727	100.0
440.36057	3.8
457.36658	18.1
457.44324	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05512	17.9
56.82822	2.8
57.03445	3.0
57.07081	8.2
67.05505	35.2
69.03429	3.8
69.07066	26.0
71.08627	5.0
73.02927	2.9
75.98244	2.8
79.05496	25.1
81.07057	51.9
83.08624	7.6
84.11050	2.8
85.06555	8.8
89.06043	8.9
91.05470	18.0
93.07045	53.7
95.04991	4.0
95.08605	87.3
97.06525	4.4
97.10178	7.1
99.08096	3.4
105.07027	50.0
106.21931	3.1
107.08599	69.1
109.06513	5.0
109.10152	67.0
111.08062	32.7
115.83700	2.7
117.07019	3.7
119.08585	59.7
121.10144	100.0
123.08072	6.8
123.11701	20.4
125.09612	4.7
131.08568	16.4
133.08589	6.7
133.10141	41.7
135.11691	27.7
137.09601	8.6
137.13283	6.6
143.08572	5.0
145.10120	16.4
147.11671	29.8
149.09596	7.7
149.13243	22.5
149.93707	2.9
151.11197	4.0
157.10135	5.4
159.11726	29.8
161.13274	26.8
163.11166	24.6
163.14828	9.4
165.12750	8.3
169.10150	3.5
171.11687	10.0
173.13287	22.1
175.14830	27.3
177.12749	5.3
177.16412	11.2
183.11694	3.2
185.13239	6.0
187.14777	9.8
189.12747	3.3
189.16333	23.3
191.14302	6.5
191.17981	10.5
193.15892	5.5
199.14848	8.8
201.16406	10.8
203.14351	3.9
203.17953	12.9
205.16006	7.4
205.19550	3.5
213.16432	6.1
215.17984	7.4
217.15948	4.4
217.19569	13.9
219.17470	6.2
225.16344	3.8
231.17444	4.5
243.21082	7.8
269.22531	4.1
271.24258	7.3
311.27145	4.4
403.33554	6.5
405.25153	3.4
421.34613	17.2
439.35709	15.2
457.37082	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	457.3678
Annotation	Kuguacin B
Peak:m/z	Relative Intensity
53.03933	4.3
55.01879	11.3
55.05515	12.5
57.03421	4.3
57.07066	4.5
59.04992	8.1
65.03929	2.9
67.05502	34.1
68.80222	2.4
69.03436	10.5
69.07068	32.2
70.19904	6.3
71.04994	3.3
79.05490	32.7
81.06597	4.5
81.07056	67.7
83.04977	7.3
83.08631	15.9
85.02853	2.2
85.06539	14.8
91.05475	23.9
93.07040	58.9
95.04932	4.8
95.08614	59.7
97.06551	12.4
97.10139	5.9
99.08076	6.2
103.36208	1.9
105.07038	50.3
107.08598	94.7
109.06522	18.9
109.10160	74.3
111.08090	25.7
111.11724	4.3
114.84149	2.3
117.06998	6.1
117.60460	2.1
119.08590	62.3
121.10155	54.6
123.08063	9.2
123.11713	15.8
125.09634	23.9
127.11189	2.4
129.07007	5.2
131.08539	15.6
133.10136	41.6
135.11696	44.5
137.09625	12.6
137.13245	5.9
139.07509	6.8
139.11188	5.8
143.08551	7.1
145.10129	23.9
147.11691	56.3
149.09610	4.6
149.13268	17.2
151.11148	4.5
153.12761	5.0
156.09306	2.9
157.10130	13.5
159.11705	33.2
161.13316	16.4
163.11209	4.7
163.14816	9.0
165.09062	3.3
165.12756	78.2
169.10069	4.4
171.11700	11.0
173.13272	16.2
175.11107	5.1
175.14862	12.5
177.16394	2.9
183.11688	4.6
185.13266	8.2
187.14827	19.5
189.16393	5.6
191.17926	6.0
193.12233	13.8
193.15894	9.8
195.11714	4.1
197.13290	5.1
199.14781	10.3
201.16396	41.9
203.14470	2.4
203.17966	36.2
208.77299	2.6
209.13272	3.8
211.14938	4.4
213.16383	15.5
215.17950	9.9
221.15361	5.3
223.14841	4.9
227.17924	12.0
229.19547	4.1
231.17451	7.4
233.19023	3.5
246.87543	2.3
249.18510	21.6
251.17891	2.8
253.19583	6.4
255.21103	5.3
267.21045	6.1
269.22665	37.2
279.21158	2.8
281.22733	2.4
283.24307	2.9
287.23672	9.9
293.22595	3.1
305.24850	3.9
311.24042	2.7
347.27460	3.0
403.33606	22.9
421.34656	100.0
422.34937	6.0
439.35785	20.1
457.37125	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	457.3676
Annotation	Kuguacin B
Peak:m/z	Relative Intensity
51.42235	2.0
53.03933	3.7
55.01873	12.0
55.05518	17.1
57.03426	2.6
57.07071	3.6
59.04985	8.1
67.05508	27.5
69.03428	14.6
69.07066	33.5
70.59861	5.6
71.04985	4.5
75.01939	2.1
79.05498	25.6
80.02934	2.1
81.06593	3.2
81.07057	58.7
83.04975	6.9
83.08617	14.9
85.06554	6.7
91.05477	27.3
93.07041	50.3
95.04967	5.2
95.08608	49.0
97.06524	8.0
97.10165	4.4
99.08012	2.1
105.07033	48.7
107.08595	83.8
109.06530	14.9
109.10164	70.8
111.08078	26.8
111.11747	3.5
117.07027	6.3
119.08585	55.2
121.10143	38.0
123.08057	7.5
123.11701	10.2
125.09621	22.4
129.06932	2.3
130.07860	2.7
131.08553	11.4
133.10127	36.8
135.11702	39.8
137.09641	11.8
137.13246	7.1
139.07565	4.8
139.11174	6.9
143.08557	5.8
144.09306	2.2
145.10126	24.9
147.08046	2.2
147.11693	52.6
149.13251	16.1
151.11156	4.4
153.12706	4.8
155.08504	2.3
157.10168	9.5
158.11029	2.1
159.11702	28.7
161.13220	13.1
163.11142	3.0
163.14807	6.8
165.11430	3.0
165.12770	48.5
169.10103	2.7
171.11664	12.3
173.13268	14.6
175.11198	6.3
175.14824	10.0
177.12743	2.1
177.16385	3.1
183.11639	3.5
185.13245	8.7
187.14833	16.0
189.16406	6.3
191.14339	3.2
191.17955	4.8
193.10680	2.3
193.12274	24.9
193.15884	8.4
195.11765	2.2
196.12057	1.9
197.13274	4.9
199.14745	9.5
201.16388	38.2
203.14514	2.1
203.17964	32.8
209.13281	2.4
211.14819	5.3
213.16365	14.6
215.18005	7.6
221.15384	4.6
223.14894	2.2
225.16429	4.5
227.17897	12.3
228.12737	2.1
231.17500	6.3
233.19005	2.0
241.19537	4.1
249.16167	2.8
249.18477	25.4
251.17961	3.6
253.19475	5.3
255.21231	5.6
257.22665	5.8
259.00888	2.1
267.21072	4.9
269.22635	35.0
279.21255	3.0
287.23727	8.2
293.22769	4.0
305.24875	5.2
307.24393	2.6
311.23843	3.3
321.25919	2.7
329.24612	4.1
347.27307	3.1
403.33673	30.5
421.34674	100.0
422.34753	3.0
439.35815	17.0
457.36731	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	457.3678
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03935	0.9
53.17855	0.4
55.05318	0.3
55.05516	3.4
57.07079	0.4
59.04994	0.5
65.03933	0.6
67.05508	9.9
69.07069	15.5
70.75147	0.7
70.75489	0.5
79.05493	5.6
79.23810	0.4
81.07059	14.8
81.07533	0.8
83.04959	1.1
83.08615	1.7
85.06549	0.7
88.02244	0.4
91.05483	6.1
91.74284	0.4
93.07047	12.3
95.04964	1.0
95.08002	0.8
95.08607	14.9
97.06550	3.4
97.10168	1.0
99.08086	2.0
105.07031	9.9
105.07700	0.7
107.08593	15.2
109.06544	0.4
109.10161	15.9
111.08078	2.1
111.08768	0.4
117.07016	2.7
119.08591	11.5
121.10141	10.0
123.08099	0.8
123.11703	3.1
125.09628	6.7
128.06184	0.5
129.06981	1.6
129.09132	2.0
131.08574	6.7
133.10129	6.9
135.11711	4.4
137.09616	0.5
137.13234	0.7
139.11237	0.6
141.06982	0.4
142.07835	0.4
143.08560	3.1
144.55225	0.5
145.10123	7.7
147.11687	8.1
149.09674	0.5
149.13274	4.0
155.08533	0.8
156.09364	0.5
157.10086	3.1
158.10919	0.5
159.11710	6.3
161.13263	5.2
163.11148	0.6
163.14825	2.5
167.10683	0.4
169.10150	1.1
171.11703	2.5
173.13266	5.8
175.14799	3.9
177.16322	0.4
179.14439	0.4
181.62389	0.4
183.11740	1.0
185.13272	2.9
187.14812	6.2
189.16389	2.8
191.14346	0.4
197.13251	0.8
199.14839	2.2
201.16374	3.7
203.14453	0.8
203.18007	0.8
205.15903	1.0
211.14836	1.1
213.16383	2.6
215.17990	3.3
217.15889	0.7
224.43596	0.4
225.16435	1.0
227.17943	2.4
229.19586	1.1
231.17596	0.5
239.17957	1.1
241.19534	1.3
243.21223	0.9
245.19026	0.8
253.19539	0.6
255.21175	0.7
269.22693	1.1
295.24112	2.4
297.25845	2.0
309.25842	0.5
313.25305	0.6
315.26785	0.7
323.27319	1.0
341.28491	1.1
353.48209	0.4
365.24799	0.7
398.76355	0.4
404.88605	0.4
421.34714	0.6
427.35837	1.0
439.35468	0.7
457.36771	100.0
458.37097	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01859	2.1
55.05495	2.0
57.03417	1.8
59.05003	6.2
61.02908	1.4
67.05508	2.7
68.99783	1.0
69.03085	0.9
69.03434	11.1
69.07056	2.1
70.06593	2.8
70.62648	1.6
71.04973	1.9
72.08147	0.8
73.02898	2.5
79.05482	2.5
81.02992	0.8
81.03425	11.8
81.07056	4.7
81.87334	0.5
83.00104	0.5
83.04985	2.6
84.08141	1.0
85.02911	16.2
85.06543	0.8
86.09705	2.9
87.00835	6.3
87.04478	1.0
89.06035	3.6
91.03958	0.6
91.05476	2.6
93.07069	3.0
95.04966	3.9
95.08607	3.7
97.02896	5.6
97.06454	0.9
99.04451	3.8
99.08121	1.0
102.05526	0.8
105.01872	3.6
105.07066	3.4
107.08582	7.6
109.02886	7.1
109.06516	9.3
109.10164	3.6
116.62737	0.5
117.01876	0.7
117.07016	0.9
117.09111	1.0
119.08603	3.5
121.06461	1.2
121.10155	10.7
122.07253	2.2
123.08087	3.8
123.11726	3.0
127.03915	11.3
129.01797	0.7
129.10286	0.6
131.08545	1.5
133.08568	1.7
133.10136	11.0
135.08052	4.2
135.11691	1.0
137.09625	18.7
145.04987	3.4
145.10110	0.7
147.02919	0.8
147.11674	1.9
149.09634	6.5
149.13266	6.6
151.11191	18.8
153.09195	0.7
158.10912	1.1
159.02879	4.8
163.14841	1.5
163.52400	0.5
165.09190	0.8
165.12758	33.9
173.13283	4.4
176.03450	0.6
177.11284	0.7
178.80959	0.5
184.90837	0.5
191.14310	13.8
193.15858	2.2
209.15370	100.0
210.15735	1.7
231.04997	2.2
262.32626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95187	2.7
55.01853	3.0
55.05505	3.9
57.07082	3.7
62.93855	3.4
64.05898	2.7
67.05488	6.5
67.67471	3.0
69.00148	3.1
69.03426	7.3
69.07066	4.7
69.85346	7.7
69.85761	7.1
70.06589	13.7
72.08153	7.3
79.05484	9.7
81.03430	4.3
81.07091	14.3
81.07502	4.2
83.08607	3.8
84.08124	6.1
85.02913	4.9
86.09701	25.5
88.37830	2.9
91.05480	11.8
93.07034	5.3
93.59729	2.7
95.08600	5.8
95.16777	2.9
97.88760	2.6
98.20785	3.1
98.97553	3.9
100.11242	4.6
105.07024	10.8
107.08611	19.5
109.02902	4.0
109.06514	5.9
109.10144	9.7
111.04436	4.9
111.05132	2.9
115.03830	3.0
119.08586	5.5
121.06488	4.7
121.10151	10.8
122.07314	5.5
127.03923	3.5
133.10135	100.0
135.08041	5.9
136.07564	4.1
137.09625	57.8
149.13284	8.3
163.14836	3.6
165.09059	7.8
170.15372	3.1
173.13258	4.2
183.07948	3.0
185.16473	5.6
191.14317	44.9
191.17143	2.9
200.40105	2.8
213.16026	6.1
245.18626	4.7
315.57150	2.9
332.18338	3.3
457.33691	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56352	1.7
67.05500	2.1
68.04187	1.6
69.03434	7.5
69.07081	1.6
70.62474	2.4
70.62830	2.9
79.05480	4.6
80.06382	1.4
81.03423	1.9
81.07057	5.3
83.73726	1.3
85.02910	4.4
91.05478	5.2
93.07034	3.2
97.02895	2.0
104.75957	1.4
105.01817	1.7
105.07018	6.8
107.04953	3.0
107.08591	14.0
109.02881	1.8
109.06519	5.0
109.10169	4.9
117.20658	1.4
119.08623	2.6
121.10117	9.9
122.07310	3.6
127.03881	1.5
131.08591	3.4
132.85083	1.5
133.10129	100.0
135.08064	6.5
137.09621	47.6
145.10168	1.7
147.11729	2.1
149.13264	9.0
151.11249	1.8
158.10918	2.1
163.14743	2.3
173.13286	5.1
191.14305	46.1
209.15327	8.2
209.34970	2.0
231.04875	1.9
330.17902	1.4
411.87372	1.5
434.64685	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
53.58246	0.2
55.01871	1.0
57.03441	1.8
59.88702	0.2
61.02933	1.7
65.03945	1.5
67.05498	0.6
68.99797	0.7
69.03427	0.6
70.06599	1.1
71.01356	0.2
73.02906	0.5
77.03918	0.2
79.01836	0.3
79.05485	0.6
81.03416	1.0
81.05790	0.3
81.07056	0.3
83.01337	0.7
83.04977	0.3
84.04498	0.2
84.08140	0.5
85.02905	3.5
85.04044	0.2
86.09709	0.9
86.98350	0.2
89.10905	0.2
91.05478	1.8
93.03407	2.4
93.07043	0.3
95.04967	0.6
96.08112	1.1
97.02885	0.8
98.20751	0.5
103.03954	0.7
103.05457	0.3
105.03379	0.6
105.07035	0.6
105.21425	0.2
106.06592	0.4
107.01286	0.2
107.04970	0.9
109.02871	1.8
109.06509	0.5
109.21120	0.2
111.00797	0.5
111.04438	1.3
112.07604	0.5
115.05428	0.5
116.07120	0.2
117.07050	0.5
118.04169	0.3
119.04939	4.8
119.74318	0.2
120.05724	0.2
120.08072	0.2
121.02866	25.4
122.03188	0.4
123.00787	0.2
123.04420	0.6
124.07584	5.8
127.03903	0.2
129.03377	0.3
131.04909	0.7
133.02821	0.6
133.06468	0.7
135.04399	0.9
137.02344	0.7
137.06020	0.3
139.03885	0.9
143.04881	0.4
145.02847	2.8
145.06467	0.3
147.04407	1.1
149.02342	0.6
149.05957	0.4
149.08406	0.2
150.03120	0.4
151.03862	1.3
153.01770	0.3
154.08617	0.6
155.04929	0.4
159.04416	0.9
161.02321	2.1
161.05968	0.8
163.03905	1.6
165.01794	1.2
167.03487	0.2
168.04161	0.3
171.04437	0.6
171.11316	0.2
172.09688	0.7
173.02336	0.9
173.06003	0.7
175.00266	0.3
175.03934	0.7
176.01054	1.1
177.01825	2.7
177.03091	0.2
177.05478	1.0
179.03392	3.6
181.04892	0.4
182.06340	2.0
183.04448	0.5
185.05988	0.7
186.03105	0.3
187.03894	2.6
189.01822	7.3
189.05453	0.4
190.02602	2.1
191.03381	3.2
191.07135	0.3
194.02122	0.5
195.02921	3.3
195.08070	0.2
197.04436	0.7
197.06065	0.6
199.03911	0.4
200.04681	0.6
201.01958	0.9
201.05460	1.6
202.02400	0.3
203.03391	2.0
204.04219	0.9
205.04967	1.4
207.02875	5.6
207.04729	0.4
208.03636	0.4
209.04340	0.3
211.03946	0.5
213.01891	0.2
213.05499	0.7
214.02667	0.3
215.03441	1.5
217.04984	0.4
219.02904	2.4
219.06325	0.3
221.04469	0.5
223.07697	0.3
225.03946	0.7
227.03404	0.4
228.04221	0.4
228.98126	0.2
229.04944	2.6
231.02910	0.5
232.13411	0.3
233.04442	3.2
234.06908	0.3
235.07584	0.2
236.07347	0.3
237.05551	0.3
239.03465	1.4
239.07088	0.8
240.07693	0.3
241.04993	0.3
242.05772	0.2
243.02911	0.4
243.06499	0.4
245.04506	0.4
247.06017	0.6
251.07056	1.3
252.07741	0.5
253.05006	0.2
253.08458	0.2
254.05754	0.5
255.02914	0.5
255.06610	0.5
256.03656	0.3
257.04480	2.0
259.14413	0.4
260.12842	0.3
261.03848	0.4
262.06354	0.3
263.07178	0.6
264.07431	0.2
265.08582	0.2
266.05698	0.3
267.03445	0.4
267.06473	3.7
268.07300	6.0
269.08014	0.9
273.03818	0.4
275.05499	0.3
277.08679	0.5
277.15466	1.1
279.06519	4.9
279.09534	0.3
280.07269	1.8
281.08011	1.6
282.05051	0.3
283.06061	2.4
284.06787	1.3
285.03958	2.7
285.07187	0.3
289.08490	0.3
290.08966	0.2
291.06522	0.8
292.07324	0.5
293.04718	0.3
293.08023	4.4
294.05246	8.8
294.08755	1.1
295.06027	23.3
295.09470	2.1
295.16534	1.6
296.06766	6.2
296.10120	0.3
297.07544	8.0
298.08328	0.3
303.05087	0.5
304.07300	0.7
305.07895	1.1
306.08871	0.5
307.06003	27.0
308.06766	15.4
309.03958	0.1
309.07565	4.1
309.11035	0.4
312.06516	0.3
313.07034	3.4
317.08102	0.7
318.08945	0.7
319.06033	3.3
319.09683	1.1
320.06781	2.0
321.07547	8.9
322.04736	0.7
322.08322	10.4
323.05496	2.3
323.09152	4.4
325.07047	100.0
326.07367	2.8
329.08234	0.7
331.05847	0.4
331.09476	0.3
332.06711	0.4
333.07581	2.7
334.08359	0.7
335.05447	0.5
335.09201	1.1
336.06287	1.8
336.09949	1.0
337.07043	40.2
338.07529	1.3
339.04965	0.5
339.08673	1.5
345.07547	0.8
346.08264	0.5
347.05374	0.2
347.09152	3.7
348.06216	0.3
349.07108	2.9
350.08011	1.0
351.05026	1.0
351.08627	24.4
352.09039	0.7
353.06592	0.9
355.08179	0.8
357.07538	1.4
360.06183	0.6
361.07025	1.7
362.07849	0.3
363.08615	1.9
365.06573	0.6
365.10229	10.3
367.08096	3.7
373.07120	0.7
374.07675	1.0
375.08612	5.6
377.06555	0.8
378.07336	0.4
379.08115	55.2
380.08566	1.7
385.07074	0.7
391.08093	12.1
392.08582	0.7
393.09662	2.2
397.09253	0.6
401.10541	0.5
403.08121	16.4
404.08496	0.4
409.09180	13.8
410.09616	0.5
421.09171	20.6
422.09576	0.7
439.10233	22.6
440.10739	0.7
457.11298	42.9
458.11703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
56.05024	2.4
58.06595	1.3
58.99581	3.1
59.04990	1.5
61.01141	3.4
61.02919	0.9
65.03908	1.1
67.05490	3.5
68.05024	2.3
69.03410	1.6
69.07075	6.1
70.06594	61.0
70.99567	1.5
71.06911	3.8
71.50006	1.0
72.08157	2.8
73.02888	1.0
74.00661	1.7
74.06074	1.3
77.48158	0.8
79.05490	9.4
80.05023	2.6
81.03421	2.1
81.07047	4.6
82.06590	1.1
83.04972	1.0
83.06080	3.1
84.04139	0.8
84.04512	10.5
84.08144	16.7
85.01126	3.4
85.02902	2.4
86.00649	3.4
86.06064	2.3
86.09711	8.3
86.99049	2.0
87.02684	0.9
88.02219	1.5
91.05480	5.7
93.07052	6.2
94.06573	1.7
95.04946	1.7
95.08569	2.3
96.04502	1.5
97.01095	3.6
97.02879	2.2
99.02648	1.2
100.02222	4.6
100.11261	1.6
101.11609	1.1
105.07010	5.2
106.06538	2.6
107.04943	2.6
107.08598	10.0
109.07598	1.6
110.06033	1.0
110.07160	1.1
111.02661	2.9
112.02199	12.6
113.00599	4.9
114.10295	1.8
115.03914	1.1
115.05412	1.0
116.01665	9.2
117.05738	1.9
117.07014	2.4
118.06918	8.4
119.04939	1.2
119.07320	1.2
119.08575	3.7
120.08116	4.6
121.06427	1.2
121.10132	2.6
122.06052	1.0
123.02621	1.3
123.04457	1.1
124.02180	1.5
124.11208	1.4
125.00560	1.3
126.03713	3.6
127.03910	1.1
127.08681	1.4
129.07007	3.0
129.10228	8.7
130.05000	2.1
130.06535	3.6
130.07788	2.8
131.07301	1.1
131.08589	1.8
132.08083	5.2
132.10178	1.2
133.10149	1.4
135.02620	3.3
136.02165	4.9
136.07550	4.8
137.02927	1.8
138.03728	21.3
142.03162	2.2
144.08076	3.2
145.06184	1.6
145.08904	1.0
145.10101	2.7
146.09630	3.4
147.10425	3.7
147.25729	0.9
148.11183	4.4
149.09616	1.1
150.03751	7.7
151.04512	2.8
152.05275	2.1
153.06549	2.2
154.03253	1.2
155.04005	1.3
155.08188	2.3
159.09171	4.4
160.11241	2.6
162.02229	2.2
163.05789	4.1
169.04272	1.3
172.11194	1.7
173.12032	1.8
178.06866	1.3
179.08981	1.3
180.08418	13.7
181.06125	0.9
183.14870	2.2
189.03395	1.6
189.07310	1.4
193.04393	1.5
193.06042	1.4
199.07031	1.0
201.10626	2.6
203.04881	1.6
206.09998	24.8
207.08369	4.4
215.04793	1.3
224.11026	14.4
239.04939	3.7
240.05554	2.1
241.06487	2.6
243.07996	1.6
244.09299	1.0
249.10832	2.1
253.06551	1.0
256.30844	0.9
258.15924	1.0
267.63153	1.2
277.10443	2.0
290.11880	1.2
309.12668	100.0
310.12860	1.8
363.13669	1.6
370.12241	1.1
376.17035	2.9
381.14835	4.6
439.85974	1.1
456.17712	1.3
456.33087	3.1
478.09103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
53.72341	1.5
55.01874	6.4
55.05511	97.3
57.03439	5.6
57.07076	76.7
58.04201	1.7
59.04996	5.0
60.30569	1.8
65.03957	1.8
67.05506	44.4
69.03439	5.0
69.07069	35.0
69.22226	14.8
71.04992	2.8
71.08627	57.1
73.02943	2.3
79.05496	45.5
81.07057	62.1
83.04984	4.2
83.08617	45.6
85.06554	4.1
85.10185	32.7
87.04469	3.8
88.14066	1.4
89.06041	15.0
91.05476	8.5
92.71304	1.7
93.07038	10.6
95.08604	57.1
97.06550	3.4
97.10169	63.9
97.10781	3.4
99.08070	1.7
99.11751	4.2
105.07041	10.4
107.08583	31.8
109.10159	32.8
109.10839	2.7
111.08123	1.9
111.11751	3.9
119.08572	9.9
121.10181	7.7
123.08092	1.8
123.11715	11.5
125.09631	61.0
125.13256	2.0
130.71091	1.5
131.08582	4.3
133.08588	7.9
133.10191	6.3
135.11726	6.0
137.09654	3.7
137.13286	6.2
143.10680	16.4
145.10127	7.8
147.11722	4.3
149.09660	4.2
149.13272	2.7
150.64232	1.8
151.14915	2.4
157.10199	2.8
159.11726	4.3
161.13368	3.1
163.14874	2.3
171.11714	2.8
173.13274	2.1
175.14867	4.2
177.11349	2.1
177.16373	2.4
187.14941	2.2
193.15851	2.2
199.13307	13.2
199.14885	2.0
221.22672	3.9
239.23705	35.4
273.22632	1.6
275.19925	1.6
308.50510	1.5
313.27518	7.5
345.31906	2.1
419.33194	2.5
437.34436	5.6
455.37405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05188	0.8
53.03961	1.0
55.01872	2.0
55.05511	31.6
57.03441	15.3
57.07077	47.3
57.31813	0.9
58.60724	0.9
58.97669	1.0
65.03939	1.4
67.05506	37.6
69.03425	2.2
69.07070	49.6
69.68187	3.9
69.68598	1.7
71.04993	2.6
71.08634	31.1
73.06549	1.7
79.05491	16.4
81.07055	53.1
83.04987	3.9
83.08621	37.0
83.09124	1.6
85.06553	2.5
85.10189	15.6
91.05494	4.0
93.07042	21.8
93.07565	1.8
95.08609	49.7
95.46077	1.0
97.06529	11.3
97.10171	26.2
99.08088	2.0
99.11738	2.2
101.06043	1.4
105.07048	4.4
107.08592	18.3
109.10162	25.7
111.08073	6.5
111.11720	8.7
115.07581	3.0
119.08591	2.0
121.10150	23.9
123.11711	11.3
125.09620	7.2
125.13290	2.9
129.09137	1.8
130.73940	1.1
133.10146	2.6
135.08035	1.1
135.11694	19.1
137.13268	5.3
139.11212	5.3
143.10687	1.5
147.11679	1.8
149.13254	10.0
151.11110	1.4
151.14873	1.5
153.12732	5.0
157.12267	1.5
161.13289	1.4
163.14868	6.3
167.14369	2.9
171.13866	1.2
177.16412	4.1
181.15918	3.2
191.17981	2.9
195.17514	2.6
195.67459	1.1
205.19611	2.0
209.19083	2.6
213.18507	1.1
216.31400	1.1
217.19476	1.1
221.70924	1.0
223.20674	1.5
227.20090	1.3
237.22246	1.2
237.82243	1.0
245.22560	1.1
249.22238	1.8
251.23779	1.5
259.20734	1.0
263.23892	1.1
307.26343	1.2
317.31973	4.7
327.30505	2.1
335.33090	10.3
345.31525	8.8
363.32587	25.5
364.32739	1.3
381.33456	2.4
399.34695	30.3
437.36310	14.3
455.37378	100.0
456.37567	2.7
473.79764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
54.40035	1.6
55.01852	2.8
55.05515	43.2
56.58609	1.8
57.03184	2.0
57.03441	18.2
57.07076	55.2
62.13400	1.6
67.05503	46.7
69.03422	1.8
69.07069	53.1
71.04998	2.9
71.08637	32.0
71.97371	1.6
73.06573	1.7
79.05490	17.7
81.07056	65.2
83.04997	1.8
83.08623	43.3
85.06530	2.6
85.10179	17.7
91.05473	5.8
93.07052	25.5
93.31107	1.6
95.08611	56.5
97.06527	12.4
97.10181	30.2
98.21661	2.5
99.08112	3.3
101.06033	1.6
105.07056	4.0
107.08607	23.9
109.06557	2.0
109.10161	30.4
111.08088	9.0
111.11732	7.5
112.48962	2.0
115.07557	2.2
119.08575	5.3
121.10146	21.2
123.11690	13.0
125.09636	8.9
125.13268	2.7
129.09137	2.9
133.10144	4.6
135.11682	19.5
135.70137	1.6
137.13263	4.9
139.11200	6.9
143.10684	2.7
145.10132	3.2
147.11691	2.2
148.66734	1.7
149.13251	10.6
150.41786	1.6
151.14798	2.7
152.67462	1.9
153.12779	6.7
157.12299	2.1
159.11681	2.2
163.14848	6.7
167.14359	4.4
171.13821	2.5
175.14818	1.8
177.16399	4.5
181.15921	3.2
185.15344	2.6
191.17950	3.8
195.17465	2.8
199.16823	2.9
203.17978	1.8
205.19579	2.9
209.19023	2.6
215.11597	1.6
222.59418	1.6
223.20764	2.3
237.22221	2.9
242.55646	1.7
256.80231	1.6
263.23743	2.8
317.32141	5.6
335.33035	13.1
345.31683	10.8
363.32568	26.3
399.34717	31.4
437.36414	13.4
455.37369	100.0
456.37842	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	455.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.3
56.21316	1.4
56.28883	1.4
57.07078	87.8
58.04222	6.6
59.05005	22.6
62.83944	1.3
67.05482	5.2
69.07061	8.4
71.08633	100.0
71.50571	1.7
72.05765	4.6
73.02901	4.6
73.06546	5.1
77.41046	1.2
79.05482	2.6
81.07051	8.1
82.07819	3.5
82.43118	1.3
83.08623	7.3
85.10183	88.2
87.04459	11.2
88.05273	1.8
88.07639	2.5
88.92827	1.2
88.94198	1.4
89.06035	13.3
90.01922	29.8
93.07021	2.9
95.08633	8.8
97.06531	1.4
97.10150	4.0
99.11723	11.5
102.06856	1.5
103.07585	5.5
105.07027	2.0
107.08577	5.4
109.10152	6.1
111.08036	1.8
111.11716	1.8
117.09119	4.9
119.08559	2.3
123.11723	1.4
129.26166	1.3
131.07039	1.7
133.08595	3.1
133.10120	1.8
135.11703	2.9
138.14034	5.3
141.16371	9.6
143.08456	2.1
147.11671	2.2
149.09680	1.9
159.11642	2.4
161.13243	1.7
165.09073	1.9
169.15855	4.5
173.13286	2.5
198.19855	2.4
199.20560	9.0
200.20062	2.4
201.16310	1.7
222.09778	6.2
240.10733	7.4
243.23248	3.0
283.26334	2.6
284.13336	2.5
437.34155	3.8
455.35287	5.7
456.44125	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	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05500	2.5
55.50366	0.8
57.03433	4.4
57.06805	1.3
57.07076	23.7
58.24650	0.8
59.17789	0.8
62.06092	26.1
63.54713	0.8
65.16595	0.8
67.05501	4.4
69.07056	4.5
69.80984	2.3
69.81394	2.3
71.08249	0.9
71.08636	16.3
72.93334	0.8
75.50085	0.8
81.07059	6.3
83.08625	3.8
85.10187	8.6
89.06017	1.4
95.08609	9.4
97.10155	1.8
98.98454	6.5
103.07563	0.9
109.10151	4.2
123.11699	1.5
124.01625	0.9
135.38757	0.9
142.02679	2.2
155.01053	6.1
167.08516	0.8
173.02158	0.9
185.17307	0.7
198.05223	0.9
216.06227	2.5
224.67424	0.7
239.23807	2.0
257.18692	0.9
282.27911	11.3
313.27374	100.0
314.27753	3.0
351.26083	0.9
351.48325	0.9
393.23975	4.6
436.27921	1.7
439.08838	0.9
454.33798	1.1
455.35144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05517	6.4
57.03423	1.6
57.07077	21.0
65.03945	0.9
67.05505	32.1
69.07066	9.9
71.04992	1.0
71.08635	13.9
71.50244	0.9
72.05782	0.6
79.05484	4.3
81.03411	0.7
81.06590	1.0
81.07059	15.3
83.08625	7.1
85.06512	0.7
85.10182	7.8
89.06020	1.3
91.05467	1.4
91.79414	0.6
93.07050	6.4
95.04982	0.8
95.08607	100.0
96.08931	1.3
97.06522	3.0
97.10184	3.8
99.11739	0.7
100.11275	1.0
105.07014	3.1
107.08601	2.3
109.06528	1.1
109.10148	8.3
111.11739	1.0
119.08607	1.7
121.10157	2.3
123.08068	3.1
123.11710	4.1
131.08568	0.7
133.08664	0.7
133.10155	2.1
135.11693	1.1
137.09616	0.8
137.13239	1.8
137.34433	0.5
141.09119	4.7
145.10109	1.1
147.11665	1.3
151.14789	0.7
157.10127	0.7
159.10181	9.1
159.11549	1.1
173.13271	1.2
175.14856	1.0
181.48982	0.6
187.14772	0.7
203.17993	1.0
216.81114	0.7
239.23715	5.3
257.49539	0.6
313.70438	0.6
453.35764	44.2
454.35880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90717	1.6
53.03938	2.6
55.01860	7.2
55.05512	11.5
57.03437	19.0
57.07082	1.7
59.04986	2.9
61.02646	2.4
61.02925	21.5
61.45733	1.6
67.05495	6.2
69.03431	39.4
69.07083	14.9
69.91662	3.2
69.92084	6.5
70.06583	8.3
71.01357	2.9
71.04987	5.5
73.02920	76.5
79.05503	4.2
81.03407	7.9
81.07057	5.9
83.04988	2.9
83.08620	10.5
84.08135	6.3
85.02907	100.0
85.06540	2.7
85.13150	1.7
86.09695	13.2
87.04446	4.5
91.03963	5.1
91.05476	5.5
93.07039	7.0
95.04933	2.9
95.08602	5.8
96.67923	1.6
97.02894	61.1
97.06511	2.8
98.06052	1.9
99.04466	5.1
100.07623	1.9
100.11251	19.2
103.03979	1.8
105.07076	2.3
107.08611	3.1
109.02887	7.8
109.06518	3.2
109.10168	4.2
111.04447	4.4
111.08100	2.5
115.03942	29.4
119.08595	2.9
120.08130	1.9
121.06451	2.2
121.10159	2.6
123.04446	2.3
126.09126	3.1
127.03911	29.9
133.04977	32.3
133.10141	2.9
135.11708	2.8
139.07538	3.2
143.14320	3.3
145.04955	44.7
147.11687	2.4
150.07587	3.4
153.12779	3.1
155.04077	1.7
155.14334	1.6
163.06035	12.8
165.09053	2.1
182.15424	19.9
183.15738	2.0
193.05086	2.2
197.15382	1.8
209.16525	4.0
210.14906	17.0
210.16771	2.3
223.06027	7.6
241.07104	6.1
257.17325	1.7
259.08151	5.2
283.70645	1.8
285.09915	1.7
287.18668	1.9
305.19489	2.3
332.74347	1.7
381.29538	2.4
381.80005	2.3
453.84396	3.1
454.34695	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	453.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
56.96562	2.6
57.03441	4.2
60.04526	2.9
61.02918	5.5
68.93291	1.4
69.03435	9.4
69.07072	16.6
70.06612	1.8
70.75348	4.4
71.01337	1.8
71.05027	1.9
71.08632	13.7
73.02514	2.2
73.02919	38.0
81.03414	5.9
84.08102	1.8
85.02906	35.6
86.02432	2.7
86.09696	1.9
96.08132	2.9
97.02895	21.9
97.06538	2.7
103.03935	2.5
103.70988	1.5
109.02885	9.7
114.09178	13.1
115.03930	3.0
123.04422	15.9
127.03913	12.3
134.78139	1.5
135.04419	4.3
139.03891	9.1
142.08633	100.0
143.08972	1.8
144.08090	36.7
145.04979	8.0
147.04434	2.2
149.54939	1.4
161.10725	3.6
163.03911	11.4
163.05943	2.5
165.05469	2.2
184.09692	54.9
208.09688	13.0
237.00677	3.2
250.10742	7.3
255.01755	2.6
268.11975	3.6
273.07513	1.9
286.12784	4.5
291.08618	2.0
291.13235	2.8
304.13907	73.6
426.56454	2.0
429.07205	3.4
433.16269	1.6
453.17413	18.8
465.36511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.89296	2.4
55.01868	4.2
55.05512	17.9
57.07064	7.8
58.01997	1.9
60.19602	1.7
61.02685	1.8
65.03922	2.7
67.05507	30.7
69.07070	24.6
71.08640	5.8
71.50621	3.5
76.12922	2.2
78.98791	2.0
79.04001	2.1
79.05492	21.0
81.03403	3.9
81.07057	66.6
83.04977	2.8
83.08610	13.8
85.06530	2.8
85.10139	3.0
87.04482	2.3
91.05470	12.3
93.07053	28.1
95.08611	56.6
97.06535	24.0
97.10167	4.7
105.07028	24.1
107.08597	40.2
109.05809	3.7
109.06523	61.8
109.10159	59.7
110.10532	2.7
111.08087	4.1
111.11730	2.4
115.05467	2.9
117.07019	6.0
119.08578	44.3
121.10148	32.8
123.08074	2.4
123.11703	19.3
125.05986	27.1
125.09631	2.7
126.10408	7.7
129.07037	3.1
131.08574	12.9
133.10130	42.5
135.11717	18.0
137.13252	7.6
142.26674	2.0
143.08530	8.4
145.10130	13.8
147.08006	2.5
147.11693	27.0
149.09543	3.6
149.13278	12.0
151.11200	2.8
151.14810	5.6
155.08533	3.8
156.09360	2.1
157.10156	9.4
159.11690	19.3
161.09598	4.7
161.13248	22.5
163.11082	2.9
163.14799	5.6
169.10210	3.9
171.06595	3.2
171.11703	9.8
173.13297	19.0
175.14851	19.1
181.08611	5.8
183.11740	4.2
185.13243	5.7
187.14821	6.8
189.16402	5.9
191.17976	4.7
193.12270	5.6
197.13260	5.7
199.14848	5.5
201.16374	6.1
203.17979	14.4
205.19467	3.1
209.11737	20.6
209.13481	3.8
211.14751	3.6
213.16415	3.1
215.14265	4.3
215.17963	3.0
217.19479	17.6
223.13249	5.8
227.17900	4.2
229.19530	6.7
249.14899	3.7
273.25836	3.1
275.16476	6.6
283.24255	3.4
285.25742	18.1
287.16428	7.4
289.18027	4.4
301.17969	5.8
303.19598	3.6
315.19586	3.3
329.21173	5.8
341.20908	3.0
343.22598	6.0
357.24261	2.4
371.25705	5.0
383.25919	4.3
397.27484	9.1
435.32526	15.4
453.33698	100.0
454.33829	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44493	1.4
53.03938	2.2
56.96570	3.3
57.03423	4.8
60.04513	5.1
61.02928	7.3
69.03442	11.3
69.07061	20.9
70.06587	5.8
71.01339	1.8
71.04996	1.9
71.08648	11.1
73.02921	39.9
74.06083	1.9
79.05462	1.9
81.03408	4.9
84.04496	4.3
84.08134	2.7
85.02908	44.2
86.02400	1.6
86.09697	2.5
89.03919	1.7
91.05428	1.7
95.04963	2.3
96.08142	1.9
96.08846	1.6
97.02892	24.8
97.06513	4.5
99.04453	2.6
100.11255	6.8
103.03925	3.2
109.02898	8.4
111.04420	3.1
114.09165	15.6
115.03929	4.6
119.04931	1.8
120.08075	2.6
123.04434	37.6
124.07555	2.8
125.77467	1.6
127.03911	13.9
135.04448	8.7
136.07579	2.7
138.09142	3.5
139.03908	36.0
142.08638	100.0
144.08083	32.5
145.02834	2.3
145.04945	9.9
147.04391	8.4
150.05399	1.7
151.03976	3.4
156.10124	2.0
161.10754	4.3
163.03918	23.7
165.05441	5.0
166.08635	2.3
180.10146	2.0
181.05083	2.3
184.09689	57.1
187.03944	1.6
191.03494	2.2
197.01221	1.6
208.09692	14.9
209.16496	2.5
218.99608	3.7
227.17525	6.8
237.00662	7.1
238.10921	2.4
245.04347	1.9
250.10751	6.8
255.01741	5.3
268.11859	2.8
273.02921	3.7
273.07550	5.5
286.12823	7.1
291.08524	3.9
291.13235	3.2
301.03546	1.7
301.07040	2.2
303.08554	1.8
304.13901	76.1
311.05267	1.7
341.57562	1.7
393.04886	3.8
411.05682	3.0
429.07074	5.4
453.17511	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	453.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01871	2.0
57.99680	0.4
60.70186	0.5
65.03943	0.6
67.05505	1.1
68.99797	1.7
69.03436	0.6
70.06593	0.8
71.09216	0.9
77.03941	0.7
79.05478	2.6
81.03432	1.2
81.07030	0.5
86.09699	0.5
89.03916	1.4
89.05991	0.5
91.05473	2.9
93.03413	1.4
94.82190	0.5
95.04955	1.8
100.11267	1.0
105.03394	0.6
105.07018	0.7
106.10434	0.5
107.04966	4.2
108.69116	0.4
109.02937	0.7
111.04455	0.9
115.05463	1.1
117.03403	2.4
119.04940	6.8
121.02834	0.7
123.04427	54.7
127.03924	0.6
131.04942	1.4
133.06467	0.7
135.04417	13.6
137.02342	26.6
137.03308	1.2
137.05946	0.9
139.03909	3.3
143.04924	2.8
145.02829	3.1
147.04408	19.9
149.05994	1.1
151.03928	0.9
153.01842	1.3
153.05394	0.5
159.04451	0.7
161.02325	0.5
161.05978	7.2
163.03900	30.8
165.01846	4.0
165.05470	12.5
171.04419	0.9
173.05942	0.5
175.03894	1.5
177.01929	0.8
177.05470	1.6
179.03383	2.7
179.07057	3.0
183.02905	1.2
185.05978	0.8
187.03905	2.3
189.01797	0.6
189.05484	2.8
191.03392	100.0
192.03770	1.5
195.02853	0.4
197.06015	0.5
199.03911	0.5
200.16113	0.4
201.05524	0.8
203.03387	6.3
205.04961	3.0
207.02893	1.5
207.06523	8.2
213.05513	1.4
217.04906	1.4
221.04443	4.2
229.04944	0.5
231.06506	0.6
233.04497	2.1
241.05026	1.5
247.06013	1.5
249.07567	0.8
259.05991	6.6
271.05991	4.7
283.06027	0.7
289.06946	0.8
291.08609	0.6
301.07074	20.0
302.07217	0.4
307.06155	0.6
313.07037	13.6
317.06564	5.4
317.10065	1.0
325.07111	1.9
343.08112	43.8
344.08365	1.0
393.09561	1.2
411.10773	7.1
411.16327	0.7
435.10443	2.4
436.10602	0.6
453.11728	3.2
453.34335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52627	1.0
53.03936	2.3
55.01870	4.0
55.05511	6.0
57.03420	1.7
67.05507	6.5
68.99783	1.3
69.03425	2.8
69.07062	2.9
70.06579	4.2
71.04988	1.3
71.38432	1.6
72.08160	1.2
79.05490	4.0
81.03413	5.4
81.07057	6.3
83.04999	2.9
83.08610	3.5
84.08131	3.1
85.02937	2.7
86.09718	6.2
90.14147	1.2
91.05492	6.6
93.07040	4.1
95.04972	4.1
95.08603	4.7
97.02876	1.9
97.10201	1.4
99.04448	1.7
100.11265	11.8
103.05448	3.4
105.03402	1.5
105.07021	3.3
107.04972	5.5
107.08577	2.9
109.02884	5.6
109.10173	2.6
111.04440	4.8
113.07626	1.2
119.04924	4.5
119.08559	3.8
120.08112	1.7
121.10165	3.3
123.04434	70.5
125.05994	1.2
127.03895	3.2
129.07016	1.3
131.04919	7.7
131.08553	1.9
133.06453	1.6
133.10103	2.6
135.04448	10.1
135.11769	1.6
136.07576	1.3
137.02350	4.5
137.05974	9.2
137.09554	1.1
139.03903	12.0
141.07014	1.4
143.04924	2.7
145.10106	2.4
147.03278	1.6
147.04416	20.8
147.11736	1.8
151.03903	42.3
151.07562	3.2
153.05434	4.5
161.06029	5.9
161.13211	1.5
162.36266	1.3
163.03912	10.1
163.07550	3.6
165.05469	13.3
165.09094	3.1
169.05003	3.7
169.06543	2.2
173.05995	3.3
175.03970	1.6
175.07465	1.7
177.05466	4.6
179.07025	3.4
181.04967	2.8
182.15396	4.8
184.07346	4.6
189.05418	2.4
191.03380	6.8
193.04965	13.9
197.06042	2.8
199.11092	1.2
207.06470	7.1
209.16451	2.4
210.14935	4.3
215.07100	3.6
226.19154	1.5
239.07104	1.7
257.07962	2.6
267.06451	1.5
276.72745	1.6
285.07480	8.5
291.15695	2.1
301.07034	3.4
301.10641	3.5
303.08636	100.0
304.08932	2.5
343.30612	1.4
389.81180	2.0
390.39319	1.4
403.09329	1.3
435.33432	1.4
453.16418	6.0
453.34631	6.3
454.33740	2.0
467.29416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01871	2.0
57.99680	0.4
60.70186	0.5
65.03943	0.6
67.05505	1.1
68.99797	1.7
69.03436	0.6
70.06593	0.8
71.09216	0.9
77.03941	0.7
79.05478	2.6
81.03432	1.2
81.07030	0.5
86.09699	0.5
89.03916	1.4
89.05991	0.5
91.05473	2.9
93.03413	1.4
94.82190	0.5
95.04955	1.8
100.11267	1.0
105.03394	0.6
105.07018	0.7
106.10434	0.5
107.04966	4.2
108.69116	0.4
109.02937	0.7
111.04455	0.9
115.05463	1.1
117.03403	2.4
119.04940	6.8
121.02834	0.7
123.04427	54.7
127.03924	0.6
131.04942	1.4
133.06467	0.7
135.04417	13.6
137.02342	26.6
137.03308	1.2
137.05946	0.9
139.03909	3.3
143.04924	2.8
145.02829	3.1
147.04408	19.9
149.05994	1.1
151.03928	0.9
153.01842	1.3
153.05394	0.5
159.04451	0.7
161.02325	0.5
161.05978	7.2
163.03900	30.8
165.01846	4.0
165.05470	12.5
171.04419	0.9
173.05942	0.5
175.03894	1.5
177.01929	0.8
177.05470	1.6
179.03383	2.7
179.07057	3.0
183.02905	1.2
185.05978	0.8
187.03905	2.3
189.01797	0.6
189.05484	2.8
191.03392	100.0
192.03770	1.5
195.02853	0.4
197.06015	0.5
199.03911	0.5
200.16113	0.4
201.05524	0.8
203.03387	6.3
205.04961	3.0
207.02893	1.5
207.06523	8.2
213.05513	1.4
217.04906	1.4
221.04443	4.2
229.04944	0.5
231.06506	0.6
233.04497	2.1
241.05026	1.5
247.06013	1.5
249.07567	0.8
259.05991	6.6
271.05991	4.7
283.06027	0.7
289.06946	0.8
291.08609	0.6
301.07074	20.0
302.07217	0.4
307.06155	0.6
313.07037	13.6
317.06564	5.4
317.10065	1.0
325.07111	1.9
343.08112	43.8
344.08365	1.0
393.09561	1.2
411.10773	7.1
411.16327	0.7
435.10443	2.4
436.10602	0.6
453.11728	3.2
453.34335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23718	0.7
53.03940	1.4
55.01864	2.9
55.05491	1.1
64.06035	0.7
65.03944	1.4
67.05486	2.0
68.99792	2.0
69.03424	1.2
70.06590	8.4
71.38973	1.0
72.08140	1.4
74.06067	0.7
77.03922	1.2
79.05494	3.6
81.03409	2.3
81.07084	1.1
83.08604	1.4
84.04494	0.8
84.08150	3.9
85.02899	1.1
86.06070	0.8
86.09712	3.9
89.03921	1.5
91.05478	4.0
93.03381	4.1
93.06969	0.8
95.01272	1.1
95.04996	3.4
95.08621	1.3
97.02890	1.2
99.78738	0.7
100.11252	4.4
103.05447	0.8
107.04967	4.2
111.04451	1.6
115.05463	1.0
117.03378	2.1
119.04951	8.1
120.08082	1.5
121.02840	0.9
121.10122	1.0
123.04430	65.3
124.04703	1.0
127.03917	1.4
129.10234	2.8
130.06493	1.2
131.04910	2.0
131.08530	0.8
133.06454	0.7
135.04414	14.2
136.07602	1.1
137.02345	38.3
137.03391	2.0
137.05945	2.9
139.03935	4.9
141.01810	1.2
141.07028	1.0
143.04889	2.6
145.02840	3.2
147.04399	21.1
149.05948	0.9
151.03912	1.4
151.07529	1.0
153.01842	1.3
161.06000	8.3
163.03911	34.3
165.01822	4.8
165.05479	14.2
171.04395	1.4
173.05930	1.0
175.03935	1.4
177.01869	1.2
177.05505	1.5
179.03398	3.2
179.07010	3.7
183.02866	1.0
185.05972	1.4
187.03908	2.9
189.01820	1.8
189.05426	2.0
191.03392	100.0
192.03871	0.9
195.02979	1.0
199.03821	0.9
203.03412	7.4
205.05005	3.9
207.02896	1.8
207.06537	9.3
209.16460	1.0
210.14842	1.6
213.05397	2.5
217.04906	1.1
221.04494	3.7
229.04875	0.8
231.06448	1.0
233.04396	1.9
241.04936	1.6
243.06334	1.1
247.06081	3.2
249.07819	1.1
259.06027	7.3
271.06033	6.2
273.07767	1.5
283.05887	1.1
289.06927	1.9
299.21909	0.8
301.07062	32.7
303.08768	1.4
313.07047	21.5
317.06540	9.4
319.51523	0.8
325.07092	1.9
343.08139	41.6
373.38989	0.8
393.09924	1.2
393.17371	1.2
411.10626	9.1
435.10641	3.8
435.33286	1.7
453.11807	3.0
453.16953	1.5
453.34244	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	453.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01873	3.9
55.05511	2.3
60.04521	0.9
65.03966	1.1
66.53351	0.8
67.05496	1.7
68.99799	2.3
69.03433	1.1
70.06599	5.0
70.55551	1.7
70.55918	1.5
72.08151	1.5
79.05483	3.1
81.03413	2.7
81.07054	1.2
82.06592	1.0
83.08606	1.8
84.08150	2.0
85.02902	1.7
86.09695	3.1
89.03921	2.1
91.05479	6.7
93.03405	7.9
95.01321	1.3
95.04967	3.7
100.11263	8.1
101.90797	0.9
105.03377	1.2
105.06992	1.7
107.01315	1.0
107.04955	7.9
109.02869	2.0
111.04446	4.8
112.07701	0.7
115.05452	1.7
117.03384	2.7
117.07009	1.0
119.04952	10.2
120.08135	1.5
121.02843	2.2
123.04431	77.2
124.04721	1.0
124.07706	0.9
127.03946	1.5
131.04988	1.8
133.06511	0.8
135.04420	19.4
136.07562	1.0
137.02351	65.3
137.03401	3.0
137.05957	6.6
138.02727	0.9
139.03909	3.5
139.08725	1.0
143.04901	2.0
145.02811	4.3
146.06061	1.2
147.04413	27.3
149.05980	2.4
151.03906	2.6
151.07520	1.2
153.01855	2.8
159.04407	1.3
161.02306	1.0
161.05977	10.8
163.03905	42.0
165.01866	6.9
165.05476	17.2
167.07013	0.8
171.04427	3.0
173.05969	2.8
175.03957	1.4
175.07578	1.2
177.01822	2.0
177.05464	3.1
179.03403	4.7
179.07059	4.8
182.15411	2.2
183.02924	2.6
185.05875	1.1
187.03928	2.8
189.01833	1.2
189.05527	4.2
189.07019	0.9
189.09061	0.8
190.47446	0.9
191.03398	100.0
192.03825	1.4
195.02914	1.3
197.06139	0.9
199.03870	1.1
201.05495	1.0
203.03423	6.0
203.07011	1.1
205.04938	2.9
207.02922	2.1
207.06516	8.9
209.16461	3.0
210.14928	2.9
213.05522	3.0
217.04932	1.7
221.04416	2.6
229.05067	1.8
233.04442	3.0
241.04985	3.0
247.05986	3.6
253.04982	1.7
259.05994	10.3
271.06024	14.6
281.56293	1.0
283.06024	1.9
301.07071	47.5
303.08759	1.2
313.07065	39.0
314.07581	1.0
317.06616	15.1
325.06796	0.9
343.08115	20.0
393.09610	2.2
411.10846	12.0
435.10968	4.9
435.33246	3.4
453.12000	2.6
453.21060	1.5
453.34406	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	452.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
57.07078	100.0
58.07385	1.2
59.04716	1.7
59.05003	25.1
67.05500	2.1
69.07058	3.8
69.73720	7.3
71.08636	87.6
73.02518	1.8
73.02920	34.7
81.97567	1.5
83.08617	2.6
85.10187	68.6
87.04467	1.9
87.08071	1.8
89.06046	13.3
93.07059	1.7
95.08614	2.5
97.10197	3.1
99.11738	12.8
103.07556	5.2
107.07154	1.3
109.10156	1.5
111.11697	1.5
113.13269	4.0
117.09120	4.9
119.08517	1.3
133.08598	5.2
139.28725	1.3
141.16466	3.2
155.17989	6.2
177.11278	5.8
185.18980	2.9
195.12326	10.0
205.10684	3.6
213.22112	5.0
223.11824	2.0
239.14880	1.7
243.23186	5.0
253.16434	2.0
287.05243	1.6
287.08557	1.3
329.47046	1.4
407.33572	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	452.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.2
57.03424	4.4
57.07077	81.0
57.15045	1.6
59.04721	3.7
59.05003	70.7
67.05502	4.3
69.07056	5.8
69.19257	18.1
71.08633	100.0
73.02909	6.0
74.61935	1.8
81.07044	3.6
83.08598	4.8
85.10186	68.6
86.75098	2.0
87.08076	4.0
89.06033	10.6
93.07021	2.5
95.08612	5.5
97.10141	2.2
99.11772	4.3
101.05954	2.5
101.09659	5.8
103.07553	5.9
103.68666	1.8
106.66776	1.8
108.31307	2.2
117.09136	19.6
121.10091	2.1
124.05439	2.1
127.14828	4.4
133.08569	3.5
150.47940	2.0
155.17941	3.2
161.11743	2.7
161.17845	2.0
175.13345	3.6
185.19009	8.2
199.20552	3.8
222.35237	2.0
239.14835	6.9
243.23186	13.0
257.24680	3.1
259.46573	1.9
308.44345	1.9
435.36621	4.4
453.34244	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	452.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.9
56.96567	2.0
57.03440	16.7
61.02927	15.5
65.03922	2.2
69.03085	2.7
69.03432	29.5
70.06586	3.8
70.40561	5.9
71.01340	4.5
71.04988	1.5
71.20733	1.8
73.02918	100.0
81.03405	10.5
84.04490	2.0
85.02906	63.0
87.04463	5.5
91.05482	3.9
97.02890	44.4
99.04450	1.9
103.03973	3.0
109.02880	59.4
111.04445	3.4
112.60945	2.0
114.68243	1.6
115.03939	28.3
119.04920	5.1
120.05226	3.8
121.06490	2.7
123.04442	5.2
127.03914	25.2
129.05466	4.8
132.06554	1.9
133.02844	4.8
133.04967	33.5
135.04449	4.5
136.07587	10.8
137.06015	2.5
137.07930	5.7
138.05493	5.8
139.03896	4.4
141.05461	51.1
145.04961	26.1
147.04396	7.8
150.07635	7.0
151.07547	2.1
153.05476	9.2
155.03424	2.1
163.03874	4.1
163.05977	8.5
165.05481	7.3
168.99545	2.9
177.05507	10.5
189.05455	1.8
193.04758	1.9
201.02197	20.3
207.06519	7.4
217.06992	2.0
219.06520	9.3
223.05978	4.4
231.06480	2.5
237.07613	17.0
241.07101	3.9
255.08794	4.5
259.08099	5.8
267.08652	6.1
278.07407	1.8
290.06863	6.8
290.09827	2.0
305.08499	4.7
399.42502	1.8
452.17999	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	452.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
55.05502	8.3
55.35442	2.5
57.03427	2.6
57.07079	2.5
64.36344	1.9
67.05499	12.5
69.07051	9.0
71.04997	5.4
71.50374	2.6
79.05482	7.3
81.07047	10.3
83.04972	2.2
83.08615	8.1
85.06523	4.7
86.66637	2.4
88.48150	2.4
91.05477	10.0
93.07040	15.0
95.04987	3.4
95.08617	23.6
97.06534	20.4
97.10137	2.7
99.04448	11.1
99.08106	7.2
105.07027	23.2
107.08591	13.2
109.06506	6.3
109.10136	11.8
111.08089	10.6
117.07042	5.3
119.08593	26.7
121.10143	10.2
123.04446	4.2
123.08062	12.5
129.07008	4.6
131.08559	18.3
133.10136	26.2
135.11661	5.3
137.09607	6.2
143.08586	13.1
144.09236	2.7
145.10115	24.1
147.11673	8.4
149.09631	4.0
155.10677	60.1
156.09375	3.6
157.10109	12.2
158.10965	15.7
159.11623	11.2
161.09697	2.5
161.13272	9.2
163.03941	2.4
163.11211	3.0
165.70668	2.3
171.11742	16.7
173.13264	100.0
175.11098	5.2
175.14891	3.7
185.13278	13.0
187.14845	27.9
189.12770	4.6
201.16377	6.8
210.49474	2.1
217.19649	2.9
227.17957	25.9
245.19000	59.4
263.19986	7.7
280.07327	3.0
281.44684	2.3
424.00906	2.3
452.18234	5.1
453.33395	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58036	2.1
53.03950	4.8
55.05502	9.7
57.07064	5.0
59.04973	2.6
63.29416	2.4
65.03941	3.0
66.17750	2.4
67.05511	16.2
69.03416	4.0
69.07080	4.4
69.36646	6.0
69.37055	13.7
71.04987	8.5
71.73366	2.7
79.05521	17.1
80.50426	2.7
81.07059	28.5
83.04982	6.3
83.08619	4.0
85.02892	2.6
85.06548	5.1
91.05481	26.1
93.07040	37.0
95.04972	18.8
95.08621	16.4
95.76314	2.7
97.06511	7.9
98.20795	5.4
103.05433	3.2
105.07037	50.0
107.04961	4.4
107.08584	28.5
109.06521	100.0
109.10159	4.3
111.04482	3.0
111.08083	6.5
115.05450	4.0
117.07011	11.0
119.04926	3.3
119.08595	33.7
121.06509	12.5
121.10162	15.8
123.04437	5.5
123.08071	21.7
125.05979	3.7
125.09650	4.6
128.06221	6.0
129.07014	10.6
131.08572	25.5
133.06468	8.6
133.10138	22.5
135.04405	3.1
135.08046	15.8
135.11662	6.0
137.05966	11.2
137.09615	10.2
139.07524	3.7
141.06955	3.2
142.07771	11.0
143.08595	20.8
145.10117	24.4
147.08069	12.4
147.11685	7.9
149.09610	11.9
151.07527	15.4
151.11145	3.9
154.07817	3.1
155.08553	11.0
156.09370	9.9
157.10135	24.6
159.08061	9.2
159.11676	7.9
160.08885	3.5
161.09688	14.4
161.13266	3.5
163.07567	4.6
163.11189	19.1
165.06987	3.9
165.09097	7.3
166.07724	2.6
167.07190	4.1
167.08554	5.9
167.10666	7.8
168.09352	4.8
169.10123	12.1
171.11700	18.2
173.09605	10.8
173.13266	7.5
174.10370	4.3
175.07578	4.5
175.11147	11.9
177.09152	2.9
177.12778	2.9
179.08591	5.0
179.10617	2.7
180.09351	4.1
181.10124	8.3
181.12212	3.2
182.10861	6.8
183.11760	15.4
183.87389	2.5
185.09714	6.5
185.13274	7.4
187.11162	7.0
189.12744	9.9
193.08690	21.1
193.10262	5.2
193.12247	11.1
195.11713	8.5
195.13683	4.7
197.09833	2.5
197.13292	15.4
199.11163	7.9
201.12762	11.4
203.10655	7.8
205.10193	2.8
207.11826	5.3
207.13815	11.0
209.13286	8.8
211.11255	4.0
211.14842	6.7
213.12701	8.4
215.14310	28.3
219.13756	3.4
220.12401	3.2
221.13295	5.3
223.13202	5.5
225.12732	6.4
227.14352	5.5
229.12270	4.8
229.16022	3.3
231.11719	4.5
231.13837	22.9
233.15346	3.2
235.13245	4.0
237.14775	16.3
239.14449	3.6
241.15935	6.1
243.13768	4.1
245.11548	3.0
249.14851	24.8
251.14465	3.0
253.15999	4.2
259.16922	5.5
265.16132	2.8
267.17542	4.6
271.16968	3.9
273.18591	4.9
283.17001	5.0
285.18460	12.4
301.06204	3.9
301.18030	17.6
315.19458	4.2
316.20490	3.8
325.21558	3.9
327.19653	4.2
375.23221	2.7
393.24081	3.6
408.26556	7.7
433.27277	8.7
451.28302	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	450.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
57.03422	3.0
57.07077	100.0
59.04718	2.5
59.05001	41.6
71.08636	76.4
71.50081	2.7
71.54726	1.8
74.49902	1.7
83.08603	3.3
85.10185	64.9
87.04475	19.2
92.71151	1.8
97.10163	3.7
99.11755	11.9
101.09630	3.4
113.13280	5.5
117.09122	15.5
155.17966	4.8
172.92119	2.2
191.55638	2.2
213.22098	9.4
217.02791	2.0
271.26346	10.5
300.05777	2.4
417.33490	2.3
450.22641	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	451.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
57.03421	4.7
57.81300	1.6
61.02921	12.3
65.39906	1.9
69.03434	15.0
70.06589	2.1
70.55372	6.1
71.01368	2.4
71.04987	1.5
72.89079	1.7
73.02517	2.9
73.02917	55.9
74.03227	1.7
79.05463	2.4
81.03397	5.0
81.07031	2.1
83.15356	1.8
85.02906	82.0
91.05463	1.6
95.04966	2.1
97.02887	31.8
98.21390	2.2
99.04426	2.9
103.03925	4.2
108.08106	7.5
109.02853	9.3
115.03933	9.0
122.06004	4.2
124.30193	1.5
125.06015	3.8
126.05467	4.9
126.09155	4.7
127.03904	23.3
133.04933	2.1
136.07559	10.8
140.05975	3.4
140.07066	69.7
140.61751	1.6
145.04951	35.6
150.07561	2.4
150.09114	3.9
152.07062	13.8
154.08614	3.9
163.06007	26.5
163.45604	1.7
164.07047	17.7
178.08640	16.1
182.08119	100.0
206.08119	48.6
206.10103	2.3
218.08138	4.4
236.09174	5.3
241.93733	1.5
248.09152	11.3
266.10245	5.8
279.19379	1.5
284.11310	9.7
301.06161	3.0
302.12302	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86295	0.6
53.03925	0.8
55.01850	0.7
57.03421	1.1
65.03913	0.9
67.01851	1.0
67.05499	1.0
69.03406	2.3
70.06580	2.7
71.49857	1.0
72.08134	1.1
79.05473	1.6
81.03416	1.4
81.07040	1.1
84.04482	1.1
84.08128	0.8
85.02888	8.1
86.09694	3.0
89.03873	0.9
91.05448	2.6
93.07036	1.3
95.04939	0.8
96.08119	0.9
97.02869	2.1
103.05463	1.0
106.06576	1.9
106.65547	0.6
108.08096	1.0
109.02872	1.3
111.04401	1.2
117.03344	0.7
118.06551	2.5
119.07333	1.2
120.08098	13.2
121.02838	1.6
122.09637	0.8
123.04414	2.4
124.07571	6.8
126.09106	0.9
127.03882	1.7
131.96260	0.7
134.06029	6.2
135.04359	3.9
136.07559	2.8
137.02289	1.8
137.05940	1.1
138.05463	1.6
139.03880	1.1
145.02840	1.5
145.04964	0.9
146.05969	6.2
147.06790	2.9
148.07562	11.5
150.09155	0.8
151.03838	0.9
153.01819	16.1
154.02122	1.4
154.12206	0.9
163.03911	12.7
164.07063	61.2
165.01822	4.1
166.08638	1.9
171.02962	0.8
177.01817	1.6
179.03418	1.9
183.02922	0.9
187.03961	1.0
189.01778	0.8
191.03416	2.7
195.02893	9.0
205.04965	1.0
215.15446	2.8
216.10231	2.0
219.02896	2.4
228.10211	0.8
229.13437	1.6
231.02831	3.1
243.14932	7.9
245.16536	3.0
249.03801	0.7
253.13298	1.9
254.11771	1.3
261.04007	2.1
271.06128	1.3
271.11539	1.4
271.14410	27.8
287.05505	22.1
288.02618	0.8
288.05832	18.9
289.06198	48.4
289.15448	100.0
290.07047	1.0
290.15811	1.3
299.05704	1.7
300.05914	2.2
301.06635	5.5
313.07013	2.3
329.06534	1.1
330.06674	0.8
331.07239	4.5
355.07770	3.1
367.08041	2.1
385.08298	1.1
397.08398	1.0
415.09552	1.9
433.10263	2.8
451.11353	16.3
451.20822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09851	0.5
55.01871	1.2
55.51078	0.6
56.60632	0.5
61.02925	0.6
67.05495	2.4
69.03429	1.8
70.06574	1.5
71.05003	0.6
71.46956	1.0
72.08160	0.5
73.02926	1.0
74.00665	1.3
81.03409	0.6
81.07054	0.6
83.04977	0.6
84.04500	0.7
84.08121	0.9
85.02911	3.2
88.03979	2.0
91.05521	0.6
92.01698	1.5
93.05523	0.6
93.07063	0.7
95.08614	4.4
97.02894	1.4
98.09692	1.4
102.98513	0.9
105.07031	1.9
105.07722	0.5
108.05721	0.7
109.02885	0.7
120.01180	2.6
120.99559	8.6
121.06506	1.5
123.04456	1.1
123.08067	8.3
127.03938	0.9
135.04387	1.9
137.02344	1.0
138.02203	34.2
138.05565	1.1
139.03891	0.6
145.04999	0.7
151.07545	100.0
152.07855	0.9
154.80299	0.5
157.76965	0.6
163.03926	2.9
165.01909	0.8
167.07056	0.6
232.08237	0.6
270.08099	1.1
288.05902	1.0
288.08954	5.3
292.14026	0.8
299.05469	0.8
300.06009	3.0
301.06787	1.0
329.06583	0.9
330.06879	3.1
354.06924	1.1
382.28381	0.6
384.08121	0.8
414.08820	1.2
419.84836	0.7
432.10059	1.7
450.11078	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3988
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.05514	21.8
57.07074	16.9
67.05508	13.0
68.30035	1.8
69.07068	24.3
70.89960	3.9
70.90314	1.8
71.08640	10.5
79.05495	4.8
81.07040	13.9
83.01321	1.6
83.04975	3.7
83.08618	18.9
85.10179	5.7
91.05461	9.7
93.07028	10.5
93.42503	1.7
94.73341	1.8
95.04970	5.9
95.08606	16.8
97.06526	2.4
97.10168	21.0
105.07040	4.4
106.10383	2.0
107.08579	5.3
109.06541	3.7
109.10160	12.8
111.08060	11.9
111.11717	5.4
119.08585	16.5
121.06544	3.4
121.09321	1.7
121.10143	7.8
123.04422	11.9
123.08071	7.0
123.11689	5.2
125.09649	1.8
133.10130	3.8
135.08052	3.4
135.11707	7.1
137.05971	3.2
137.09604	22.0
137.13255	1.9
139.07532	39.9
139.11182	2.3
141.09212	2.0
147.11678	4.3
149.13254	3.5
151.11189	8.8
153.09142	2.4
161.13246	3.0
165.01839	3.9
165.09126	7.9
165.12714	8.4
166.98027	1.6
167.10681	2.3
179.10678	3.6
179.14310	9.5
183.10088	2.3
193.15910	5.3
207.13857	2.6
207.17439	3.6
208.86835	2.0
221.19052	3.1
235.20642	2.5
254.36865	1.9
266.57336	2.1
287.05554	6.3
297.07751	1.9
299.05359	16.2
300.06171	4.2
325.06830	2.7
329.06598	9.4
347.29431	5.6
353.06604	6.2
385.38623	2.5
395.08090	2.8
403.39349	27.0
413.08878	3.4
431.38858	100.0
449.10779	3.7
449.39914	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	449.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.1
55.05510	38.4
57.07085	35.9
63.90657	6.3
67.05501	29.3
69.06788	6.4
69.07078	66.5
70.68519	17.2
71.08640	33.9
73.62498	6.7
79.05489	16.7
81.07069	60.2
83.08627	40.4
83.09050	6.7
84.65121	6.3
85.06541	9.7
85.10178	10.3
91.05492	12.5
91.51186	6.0
93.07032	25.1
95.04964	8.0
95.08609	87.1
97.10169	38.1
98.20898	6.7
105.03398	9.5
105.07038	11.1
107.08594	22.1
109.02846	6.8
109.10156	57.6
111.08060	14.8
119.08588	25.7
121.10158	30.6
123.08064	7.7
123.11722	15.8
131.08557	8.9
133.10152	21.4
135.11703	25.7
137.09654	30.8
137.13348	10.9
139.07549	28.8
145.11179	6.2
147.08029	7.5
147.11621	12.5
149.13261	18.6
151.07545	8.6
153.09140	7.9
159.11549	7.3
161.13261	9.6
163.14839	11.8
165.01855	21.4
165.12685	6.7
171.07962	6.7
172.96466	6.9
175.14760	7.6
177.16412	9.5
179.08595	6.6
187.07550	40.9
189.16377	8.9
193.15706	6.3
207.10811	7.1
211.07495	20.7
225.09099	100.0
225.11154	9.5
229.18513	6.7
243.37376	6.7
287.05490	44.0
299.05524	87.9
299.24796	7.7
300.06293	18.7
311.05368	14.5
325.07184	12.6
329.06534	67.8
339.08612	13.5
353.06595	31.2
357.34897	9.5
366.18088	7.0
383.07648	8.7
395.07550	15.9
403.39334	20.6
408.13516	6.7
413.08655	15.1
431.09601	18.9
431.38895	86.9
449.33997	24.9
449.39865	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	449.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.3
53.55503	2.0
55.05516	20.1
55.49963	2.5
57.07071	10.1
67.05505	36.4
69.07069	27.4
70.08506	9.7
71.08639	4.6
71.51653	2.2
76.78990	2.6
79.05496	28.1
81.07057	100.0
81.07536	5.0
83.08643	11.3
85.06545	25.7
87.86117	2.3
90.86038	2.0
91.05479	29.3
93.07043	66.7
95.04958	3.8
95.08607	84.0
97.06541	5.2
97.10147	6.2
102.95467	2.2
103.05475	2.5
105.07028	57.6
107.08591	56.9
109.10156	45.0
111.08078	6.3
111.11724	3.1
117.07005	6.2
119.08590	59.0
121.10143	55.4
123.08070	3.2
123.11711	20.8
125.05956	2.6
125.09612	3.3
128.06210	2.8
131.08585	23.6
133.10118	26.6
135.11693	17.2
137.02364	2.7
137.13269	4.4
139.07523	2.5
143.08568	7.0
144.09341	2.8
145.10114	27.2
147.11691	32.2
149.13272	26.8
151.11238	2.5
153.01842	2.6
155.08607	5.3
157.10127	15.1
158.10942	3.4
159.11699	37.2
159.12891	3.7
161.13254	26.9
163.11162	2.7
163.14819	13.4
165.01877	5.1
165.05516	2.7
169.10170	7.4
171.11646	13.9
173.13300	16.1
175.14812	11.8
177.12750	3.5
177.16330	4.3
183.11684	6.8
183.69334	2.1
185.13297	9.7
187.14804	19.2
189.16354	17.5
191.14268	3.6
191.18002	2.9
197.13338	6.1
199.14836	8.5
201.16389	15.5
203.17969	12.1
209.13226	3.9
211.14912	5.1
213.16385	13.6
215.17947	10.6
217.19579	7.4
220.17976	3.0
225.16417	4.0
227.17885	10.9
229.16029	2.5
229.19525	8.8
239.17923	3.1
241.19514	4.5
245.19125	3.1
253.19577	4.5
255.21103	4.9
257.18951	2.4
257.22897	3.8
267.21103	3.4
269.22580	3.4
271.24142	2.2
283.06012	3.1
283.24158	4.2
286.98901	2.4
287.05481	12.3
299.05481	31.8
300.06146	6.5
311.05493	5.4
325.07080	5.3
329.06516	22.5
339.08502	3.7
351.30396	5.5
353.06699	11.7
383.07684	8.9
391.33646	3.1
395.07489	6.3
413.08679	6.9
431.09717	6.7
431.36697	17.1
440.96692	2.5
449.10977	5.6
449.37784	99.6
450.37701	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	449.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.2
56.55219	1.6
57.07077	3.9
63.74543	1.6
65.03912	1.8
67.05507	14.5
69.07067	9.0
71.10550	2.7
71.10894	1.9
72.04516	3.8
79.05495	9.4
81.07056	27.7
81.16711	1.7
83.04984	2.6
83.08601	3.5
85.06532	6.6
91.05480	13.3
93.07042	24.1
95.04947	2.7
95.08602	22.3
96.44469	2.0
97.06506	2.5
105.07027	18.4
107.08589	15.6
109.06521	3.3
109.10142	9.7
111.08017	2.1
116.58518	1.8
117.06995	4.1
119.08591	15.8
121.06487	2.6
121.10153	9.8
121.27633	1.8
123.08054	12.1
123.11688	3.3
131.08595	8.2
133.10138	10.9
135.08049	4.7
135.11676	4.7
137.02370	2.0
137.06001	2.1
143.08571	4.8
145.10141	9.4
147.11707	8.7
149.13264	4.5
151.07542	100.0
151.11060	2.8
155.08556	3.9
156.09375	1.8
157.10153	4.9
159.11708	10.4
161.09665	2.0
161.13254	4.0
163.14833	1.9
165.01855	3.4
165.09097	7.4
169.10214	3.7
171.11697	6.1
173.09660	1.8
173.13274	4.9
175.07516	3.5
175.11172	2.7
175.14841	3.0
177.09137	7.2
177.12744	3.0
181.10074	1.6
183.11725	2.9
185.13229	6.2
187.14796	4.4
188.08281	2.6
189.09018	8.2
189.16490	2.2
191.10687	11.0
195.11708	2.2
197.13373	2.2
199.14857	4.1
201.09079	4.4
201.16415	3.5
203.10699	9.0
205.12350	3.0
213.16354	3.5
215.10658	8.2
217.12231	6.8
225.09105	2.4
227.10675	2.7
227.17957	3.1
229.12236	4.8
239.10690	3.5
240.11406	3.8
241.12325	3.4
241.19617	2.2
243.13829	4.0
253.12383	2.3
255.13794	3.6
257.15295	2.4
269.15292	2.4
271.16837	3.1
281.22714	2.1
287.05548	6.6
295.16995	2.1
297.18436	1.8
299.05472	18.2
299.23672	3.0
300.06122	2.4
325.06931	2.1
325.21497	3.6
329.06531	13.9
333.59116	2.1
339.08603	2.7
349.21591	2.5
353.06561	4.5
383.07391	2.7
395.07364	3.2
403.10544	2.0
431.09839	2.7
431.29471	9.0
431.36664	1.8
444.35434	2.0
449.10864	3.6
449.30447	41.5
449.36642	2.1
450.30887	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	449.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.3
55.01873	4.2
55.05517	22.9
57.03437	13.9
57.07072	3.8
65.03940	3.4
67.05505	100.0
68.05828	1.5
69.03424	1.8
69.07069	25.2
69.07428	2.5
71.01353	4.3
71.04977	8.6
79.05496	73.9
81.03421	9.2
81.07056	82.1
83.04985	14.9
83.08617	12.7
85.02910	2.2
85.06553	7.2
88.24950	1.6
91.05477	43.2
91.06018	2.4
93.07044	94.0
95.04986	11.1
95.08607	27.1
97.06537	20.0
97.10173	9.2
99.04471	1.8
99.08114	4.4
99.58085	1.4
105.04531	2.7
105.07042	14.4
107.04952	5.2
107.08592	50.4
109.06510	4.0
109.10161	9.9
111.04433	1.8
111.08061	8.9
117.06994	9.0
119.08560	10.7
121.06562	3.0
121.10147	21.0
123.08086	1.9
123.11700	2.8
124.18924	1.5
125.09653	3.0
129.07036	2.8
131.08522	7.5
133.10141	10.4
135.04385	4.2
135.08086	3.2
135.11693	47.5
137.02377	7.3
137.09619	1.7
139.11205	1.7
142.10654	2.1
145.10109	10.0
147.11691	4.4
149.02322	3.1
149.13251	29.4
149.14365	1.8
151.11237	2.9
159.11685	13.2
163.11125	7.4
165.01814	12.7
167.03453	2.9
171.11760	1.9
177.12805	4.7
181.12267	8.6
183.02895	2.7
195.13815	9.9
213.14792	1.9
249.18372	1.8
255.06525	1.7
269.17313	1.8
271.06152	2.6
272.06857	2.9
283.06149	6.5
286.04761	2.2
287.05527	29.6
291.43704	1.7
292.00555	1.6
297.07697	5.3
299.05499	71.2
300.06174	10.9
311.05624	7.2
313.07111	4.5
325.07031	15.2
329.06534	49.6
330.06882	2.4
337.06873	1.7
339.05341	1.8
339.08734	9.6
339.23138	1.6
349.07043	2.3
353.06552	22.9
357.24249	2.3
365.06598	9.0
367.08115	2.5
377.06686	4.6
383.07645	12.7
395.07556	11.3
413.08737	17.2
431.09769	12.3
431.27924	2.7
442.19586	1.7
449.11017	12.6
449.29092	70.5
450.29156	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	449.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.3
55.01873	4.2
55.05517	22.9
57.03437	13.9
57.07072	3.8
65.03940	3.4
67.05505	100.0
68.05828	1.5
69.03424	1.8
69.07069	25.2
69.07428	2.5
71.01353	4.3
71.04977	8.6
79.05496	73.9
81.03421	9.2
81.07056	82.1
83.04985	14.9
83.08617	12.7
85.02910	2.2
85.06553	7.2
88.24950	1.6
91.05477	43.2
91.06018	2.4
93.07044	94.0
95.04986	11.1
95.08607	27.1
97.06537	20.0
97.10173	9.2
99.04471	1.8
99.08114	4.4
99.58085	1.4
105.04531	2.7
105.07042	14.4
107.04952	5.2
107.08592	50.4
109.06510	4.0
109.10161	9.9
111.04433	1.8
111.08061	8.9
117.06994	9.0
119.08560	10.7
121.06562	3.0
121.10147	21.0
123.08086	1.9
123.11700	2.8
124.18924	1.5
125.09653	3.0
129.07036	2.8
131.08522	7.5
133.10141	10.4
135.04385	4.2
135.08086	3.2
135.11693	47.5
137.02377	7.3
137.09619	1.7
139.11205	1.7
142.10654	2.1
145.10109	10.0
147.11691	4.4
149.02322	3.1
149.13251	29.4
149.14365	1.8
151.11237	2.9
159.11685	13.2
163.11125	7.4
165.01814	12.7
167.03453	2.9
171.11760	1.9
177.12805	4.7
181.12267	8.6
183.02895	2.7
195.13815	9.9
213.14792	1.9
249.18372	1.8
255.06525	1.7
269.17313	1.8
271.06152	2.6
272.06857	2.9
283.06149	6.5
286.04761	2.2
287.05527	29.6
291.43704	1.7
292.00555	1.6
297.07697	5.3
299.05499	71.2
300.06174	10.9
311.05624	7.2
313.07111	4.5
325.07031	15.2
329.06534	49.6
330.06882	2.4
337.06873	1.7
339.05341	1.8
339.08734	9.6
339.23138	1.6
349.07043	2.3
353.06552	22.9
357.24249	2.3
365.06598	9.0
367.08115	2.5
377.06686	4.6
383.07645	12.7
395.07556	11.3
413.08737	17.2
431.09769	12.3
431.27924	2.7
442.19586	1.7
449.11017	12.6
449.29092	70.5
450.29156	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	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
67.01852	0.6
68.99792	0.4
69.96564	0.8
84.40203	0.1
85.02921	0.1
107.04916	0.1
111.00790	0.2
130.11357	0.1
135.04410	2.0
136.93561	0.1
137.02330	0.6
153.01816	5.3
161.02322	0.6
171.02878	0.3
179.03418	0.3
213.05379	0.3
241.04953	0.5
269.04330	0.5
286.04645	0.2
287.05478	100.0
288.05795	2.5
299.05576	1.0
329.06412	0.7
353.06516	0.5
377.06790	0.2
383.07742	0.2
395.07379	0.2
413.08688	0.2
431.09216	0.2
449.10803	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	449.123
Annotation	Artonin P
Peak:m/z	Relative Intensity
55.01873	1.2
55.05497	1.0
57.03419	0.7
60.70937	0.5
64.05263	0.5
65.03941	1.1
66.29237	0.5
67.05495	1.5
68.99790	1.3
69.03431	0.7
69.07053	0.8
70.06598	0.7
70.78532	1.1
70.78870	0.6
71.04980	0.9
79.05475	1.9
81.03424	1.7
81.07071	2.8
81.29827	0.6
83.04969	0.9
83.68223	0.6
86.09696	1.2
91.05470	4.7
93.07046	2.2
95.04951	1.5
95.08615	1.9
97.06517	1.0
97.10149	0.6
103.05443	0.7
105.04522	0.6
105.07009	1.6
107.04991	1.4
107.08621	1.0
109.02888	0.8
109.06544	0.7
109.10153	1.0
110.03715	0.6
115.05387	0.7
117.03422	0.7
118.04153	0.8
119.04916	1.7
119.08588	1.5
121.02908	1.6
121.06528	1.0
121.10168	0.9
121.18979	0.6
123.04379	0.8
124.05156	0.6
130.04138	0.8
131.04971	0.6
131.08580	0.8
131.25652	0.6
133.10144	1.1
135.04440	3.4
136.05199	1.1
136.07584	0.7
137.02336	10.2
137.05986	1.1
141.01874	0.8
145.06500	0.8
145.10132	0.8
146.03610	5.7
147.04419	2.6
147.11700	0.6
148.05170	1.4
149.02371	1.4
153.01857	0.9
157.06483	0.8
161.02347	2.3
161.06003	4.7
161.09660	0.7
163.03932	2.1
165.01836	7.3
167.03398	1.2
183.02890	2.0
183.04431	0.7
185.06058	1.0
187.03877	5.3
190.33647	0.7
195.02896	0.8
203.03372	1.1
213.05441	6.3
225.05466	1.1
226.06238	14.5
237.05408	3.8
239.07045	0.7
241.04944	57.3
242.05713	21.7
243.06323	1.0
253.04970	2.3
254.05731	2.2
255.06514	2.6
267.06744	1.1
269.04428	10.0
270.05222	36.5
271.05988	22.1
272.06754	1.5
279.06702	0.9
281.04449	7.0
283.05957	5.5
286.04803	1.6
287.05481	14.8
295.05869	1.0
297.07501	3.0
299.05505	41.9
300.06149	7.5
301.06833	1.1
311.05530	6.1
311.08774	1.0
313.07068	2.5
321.07642	1.2
324.06384	0.9
325.03461	1.0
325.07001	8.1
326.07541	0.9
329.06540	29.8
330.07077	0.7
337.06955	1.1
339.04810	1.1
339.08612	8.1
349.07172	1.3
353.06525	15.2
357.24274	1.1
365.06540	4.7
367.08008	1.1
371.08911	0.8
373.07071	0.8
375.08975	0.8
377.06662	3.1
383.07642	8.6
387.08685	1.9
395.07584	7.2
399.09009	0.9
413.08649	9.4
416.09055	2.7
419.11206	6.7
431.11002	24.8
431.27573	1.1
449.12289	100.0
449.29065	1.8
450.12314	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	449.1076
Annotation	Homoorientin
Peak:m/z	Relative Intensity
51.85483	0.8
55.01866	0.9
60.70489	0.8
67.01859	0.8
68.99786	1.3
69.49147	0.9
69.61906	1.3
69.62320	3.1
97.02885	1.1
121.02815	1.7
135.04390	3.1
137.02365	5.7
137.03258	1.1
149.02315	2.1
161.02324	3.8
163.03856	2.9
165.00571	1.3
165.01849	17.1
167.03435	2.2
177.01775	2.5
181.05045	0.9
183.02864	3.6
187.03958	1.6
189.01935	0.9
191.03372	1.8
203.03424	1.1
255.06508	1.3
261.03854	1.0
283.06064	8.3
286.04681	2.8
287.05487	5.5
295.05914	2.4
297.07486	7.0
299.05508	100.0
300.06223	8.5
311.05591	12.1
311.09134	2.4
313.07001	2.8
321.07468	2.6
323.05396	1.7
324.06253	1.8
325.03314	2.5
325.06998	21.4
328.29727	0.9
329.06531	67.0
337.07013	2.7
339.08670	15.4
349.06931	3.6
351.05045	1.6
353.06577	37.9
354.06714	1.0
365.06561	11.2
367.08035	3.8
377.06537	8.3
383.07544	18.1
395.02838	1.7
395.07620	19.8
413.08707	17.7
431.09906	7.0
449.10468	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	449.1079
Annotation	Homoorientin
Peak:m/z	Relative Intensity
55.01847	1.2
57.03430	1.2
68.99794	3.1
69.15648	9.7
71.85786	0.9
79.01855	2.0
81.03399	1.9
85.02895	3.7
89.03905	1.4
97.02904	0.9
109.02884	2.8
114.08616	1.0
121.02826	1.8
123.04439	1.4
135.04411	5.9
137.02345	30.9
137.03348	1.2
141.01814	1.2
149.02336	2.8
153.01776	2.3
161.02324	3.1
163.03886	3.8
165.01831	16.8
165.05516	1.3
167.03426	2.8
177.01802	4.4
179.03325	5.1
183.02888	3.8
187.03909	2.8
191.03427	3.0
195.02878	4.5
203.03499	2.0
205.05000	2.9
215.03394	1.4
217.04932	2.5
219.02907	4.6
227.06949	1.3
229.05035	3.0
235.06078	1.3
243.02811	1.6
249.03882	1.2
255.06644	1.5
259.06192	2.4
261.03973	3.7
271.06027	4.2
272.06839	3.7
279.05051	1.2
283.05930	5.2
286.04614	2.5
287.05545	7.6
297.07480	3.4
299.05505	100.0
300.06259	25.5
301.07053	1.8
311.05478	16.9
311.08878	2.0
313.06992	9.1
321.07504	1.2
323.05554	2.5
324.06421	2.3
325.03491	1.5
325.07043	15.6
327.05057	2.4
329.06558	95.1
330.06845	2.7
337.06998	2.0
339.05072	1.5
339.08630	21.1
341.06607	3.1
349.07013	1.9
353.06552	30.6
359.07520	2.8
365.06552	7.5
367.08090	4.1
371.07590	2.2
377.06577	4.7
383.07632	21.8
395.07605	13.6
413.08682	25.8
414.08914	1.2
431.09781	28.2
432.09995	2.0
449.10803	38.7
450.11169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Homoorientin
Peak:m/z	Relative Intensity
51.22455	0.8
55.01865	1.3
67.53122	0.8
70.90406	2.4
71.98872	0.8
76.97552	0.8
79.01847	2.7
81.03410	1.3
85.02901	2.6
102.54087	0.9
102.82367	1.0
109.02872	1.6
110.50533	0.9
113.98461	0.8
121.02909	1.5
127.05386	1.0
135.04436	3.6
136.05148	1.4
137.02345	17.7
137.03423	2.1
147.04395	1.3
149.02344	0.9
153.01886	1.6
161.02370	3.1
163.03978	1.4
165.01808	10.6
167.03404	1.6
170.38550	0.8
171.94833	0.9
177.01872	2.4
179.03471	1.7
183.02919	1.5
187.03856	1.1
191.03389	2.2
203.03474	1.8
213.05545	0.8
215.03416	1.2
217.04944	2.9
227.07062	1.4
229.05026	2.4
236.41240	1.0
243.02789	2.5
243.06583	1.4
254.05734	1.1
259.06100	2.5
261.03900	1.2
269.04614	1.2
271.06015	7.4
272.06741	7.5
280.09665	1.2
283.06143	2.5
284.06750	1.1
286.04599	1.2
287.05453	4.4
295.06021	1.8
297.07599	2.2
299.05493	88.9
300.06259	33.8
301.07162	1.6
311.05463	14.4
313.06998	16.2
323.05502	2.2
324.06235	3.2
325.03485	1.5
325.07013	9.4
327.05045	2.4
329.06534	100.0
330.06900	2.4
337.06982	1.2
339.05084	1.6
339.08624	21.2
341.06540	4.9
343.08224	1.3
349.07010	2.1
353.06564	27.1
354.06976	1.3
359.07678	6.1
365.06549	4.8
367.08023	5.2
371.07483	1.2
377.06494	3.1
383.07605	20.8
395.07620	14.4
413.08643	34.2
431.03656	1.7
431.09711	44.9
449.10806	63.0
450.11154	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	448.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.8
57.07059	4.7
58.18916	1.5
67.05495	7.9
68.05828	2.3
69.07056	7.6
70.07399	2.2
71.08625	3.9
81.07059	9.4
83.08618	4.6
83.20819	1.9
84.08961	2.9
92.05809	1.9
93.07031	5.2
95.08605	7.4
96.08926	2.3
105.07034	2.6
107.08571	3.9
109.10139	7.4
111.11806	1.8
119.08584	5.0
120.08915	2.3
121.06510	6.0
123.08083	4.1
123.11732	1.7
131.08669	2.4
135.08058	3.2
136.08893	4.0
137.09691	11.1
138.09991	9.4
145.42198	1.7
149.02354	1.6
149.09645	2.9
150.09985	2.8
151.07529	4.7
160.12007	2.1
164.08374	10.1
165.09126	100.0
166.09477	72.1
167.09657	16.0
189.09155	1.9
192.72780	1.7
205.12256	3.1
214.67674	1.7
242.19073	2.3
285.66382	2.1
287.05600	3.5
299.05417	8.7
329.06744	6.0
353.06915	2.4
430.37268	8.1
448.22256	1.9
448.38269	73.7
449.30655	2.6
449.38739	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	449.1079
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
57.03431	0.2
60.51514	0.2
62.52792	0.2
67.01865	0.4
68.99789	0.3
69.03413	0.5
70.06570	0.4
70.80437	0.4
70.80779	0.5
75.51220	0.2
75.98472	0.2
85.02894	0.4
86.09674	0.3
97.02856	0.3
109.02879	0.2
120.08069	0.7
135.04428	2.1
137.02351	1.3
139.01666	0.3
149.02362	0.2
153.01828	5.0
161.02333	0.8
165.01816	0.8
167.03442	0.3
179.03355	0.3
203.56070	0.2
205.05090	0.2
206.70953	0.2
241.04961	0.5
259.06024	0.3
269.04480	0.4
272.06860	0.4
283.05948	0.3
286.04526	0.5
287.05493	100.0
288.05927	2.0
297.07831	0.3
299.05521	6.7
300.06284	1.5
301.06909	0.3
311.05334	0.6
313.07114	0.6
325.07019	1.3
327.04819	0.3
329.06555	5.2
339.08667	0.9
349.06879	0.3
353.06616	1.8
365.06665	0.3
367.07932	0.3
377.06708	0.3
383.07559	1.4
395.07565	1.1
413.08618	1.7
431.09677	1.6
449.10797	21.8
450.11032	0.5
474.56326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
56.05023	1.5
60.05637	0.8
61.30490	0.6
67.05476	0.9
70.06590	0.9
70.62038	1.2
82.20071	0.6
83.06097	1.7
95.04965	1.1
105.03395	2.3
105.05798	1.3
111.04442	1.0
111.05559	5.5
113.07178	0.8
120.04462	13.3
123.05560	0.9
124.05109	0.6
126.06632	10.4
127.07449	1.0
132.04457	22.8
132.08038	1.2
133.05103	0.8
133.23825	0.6
134.06018	9.6
137.04700	2.1
140.08179	1.1
140.26122	0.6
145.04016	1.1
146.02391	0.9
151.06165	9.0
168.08836	3.0
185.07152	1.0
202.09729	14.2
216.11343	2.7
230.09216	10.3
231.12357	1.3
232.10841	4.8
242.09270	4.1
257.10339	5.2
259.11899	74.1
260.12335	1.1
277.13028	1.6
284.11380	8.3
287.05557	0.9
299.05646	1.6
301.14108	8.8
302.12473	28.3
319.15112	2.6
329.06564	1.0
362.18488	1.4
406.17197	14.5
430.18295	1.4
431.10138	0.8
431.16797	1.3
448.19397	100.0
449.19553	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	448.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
57.07084	7.7
58.06580	2.2
60.04539	0.6
67.05488	2.2
69.07043	1.2
70.06216	1.1
70.06592	18.9
71.08639	3.3
72.08125	0.8
73.16830	0.5
79.05490	0.6
81.07047	1.1
85.10172	1.0
88.07635	22.6
91.05479	2.8
93.07053	1.2
97.06499	0.6
98.20746	1.3
98.62379	0.5
102.09186	16.0
104.02573	2.5
105.06980	1.0
107.08556	0.9
112.51491	0.5
118.04103	0.8
119.04950	2.4
128.82692	0.5
132.01151	0.9
132.02066	8.7
136.00621	0.8
136.01561	7.5
137.02385	0.8
147.04417	30.2
148.05161	2.6
149.02339	2.1
165.01894	0.7
175.03911	49.5
176.04695	2.6
180.02650	0.8
180.04179	10.9
191.07036	3.0
193.04941	1.6
212.23769	0.8
219.06532	91.9
220.06860	1.5
256.26358	54.3
257.26614	0.9
284.91061	0.6
287.05496	1.8
299.05539	6.0
300.06229	1.0
311.05664	0.9
325.07022	1.2
329.06516	5.1
339.08569	0.7
353.06519	2.2
365.06912	0.6
383.07602	1.4
395.07324	0.6
413.08609	1.7
422.19431	0.5
431.09665	1.0
448.30606	100.0
449.10968	1.1
449.30930	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3836
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03942	3.6
55.05510	45.0
57.07078	68.8
67.05500	9.3
69.07070	93.8
69.21030	22.4
71.08635	48.9
73.06579	2.3
74.71397	2.3
79.05499	7.2
81.07052	25.6
83.08621	55.0
85.06543	5.5
85.10186	26.4
88.99442	2.6
91.05482	9.4
93.07044	11.6
95.04951	3.1
95.08614	18.6
97.10165	57.8
98.20600	2.2
99.11723	3.3
100.48602	2.1
105.07016	8.4
107.08614	20.4
109.10159	12.4
110.35870	2.3
111.11714	39.1
119.08602	10.4
121.06510	6.8
121.10165	8.6
123.08087	6.3
123.11701	3.4
125.09594	2.8
125.13278	16.3
131.08542	3.5
133.10104	3.8
135.08070	20.1
135.11691	4.5
137.09596	16.3
138.06764	4.6
139.07538	26.0
139.14790	4.3
145.10158	5.6
147.11720	2.4
149.02373	6.0
149.09584	13.4
149.94528	2.2
151.07559	18.1
153.09077	18.0
157.10110	3.5
159.11681	5.2
163.07579	7.0
163.11211	10.5
165.09114	100.0
166.06238	3.9
166.09447	3.3
167.07074	3.9
169.08618	20.4
173.09622	2.4
173.13272	3.1
175.11209	4.0
177.09125	10.4
179.10774	3.1
181.08612	31.8
188.19424	2.4
189.12875	3.3
191.10672	9.4
203.10599	2.7
205.12282	7.7
219.13907	4.7
222.39578	2.5
248.85910	2.4
405.37506	2.6
429.37262	36.1
447.38416	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	448.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39088	1.1
53.03937	2.8
55.01854	4.0
56.58517	1.1
56.71589	0.9
57.03420	2.8
58.86558	1.0
60.27825	1.1
66.68157	1.0
69.03100	1.4
69.03433	15.7
70.06573	2.3
71.01351	1.2
71.48629	1.4
73.02914	1.8
78.03451	7.7
79.24728	1.3
80.05009	2.4
81.03441	9.1
82.85168	1.1
83.04968	2.9
84.04492	1.3
84.08103	2.2
85.02908	20.3
95.04949	1.9
96.04474	2.6
97.02882	5.8
99.04441	1.6
103.05490	1.5
105.07035	57.6
106.02243	1.8
106.02923	30.4
109.02185	1.4
109.02860	6.3
111.04456	1.3
112.04809	1.7
119.04990	2.0
122.09669	25.2
124.03956	100.0
127.03915	14.7
132.04440	1.1
136.07558	2.7
139.03871	1.2
145.04948	4.2
147.04442	1.9
149.02313	2.2
163.03967	2.4
165.01674	1.5
165.09070	2.0
198.05717	1.2
232.06052	1.7
250.07166	11.1
257.04407	1.3
259.11923	4.8
268.08160	15.8
286.09229	71.0
287.05466	1.3
287.09543	1.9
299.05573	1.9
302.12396	1.7
329.06528	1.6
353.31046	1.5
389.14551	2.2
394.11502	2.0
406.17081	2.4
448.14365	9.9
448.19592	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	447.3836
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
51.94942	1.5
53.03936	2.3
55.01854	1.6
55.05505	12.0
57.07080	10.4
63.27599	1.9
67.05505	2.5
69.07066	6.1
71.08643	8.6
71.50721	1.7
79.05495	2.1
81.07052	6.1
83.04982	31.6
83.08620	4.1
85.10197	3.8
90.16698	1.6
91.05494	4.5
93.07040	9.2
95.08597	4.4
97.06524	2.7
97.10176	2.7
105.07011	2.0
107.08600	6.3
109.06534	3.8
109.10149	2.7
111.08096	4.3
117.07027	2.9
119.08566	2.1
121.06517	21.9
121.10171	2.0
123.08111	3.2
123.11665	2.1
125.05996	2.1
127.07626	7.4
135.08070	9.4
137.05983	2.3
137.09671	4.6
139.07544	57.5
149.02335	3.0
149.09547	2.5
153.09100	6.3
157.78479	1.5
163.07570	10.5
165.09061	3.3
169.08682	2.5
174.32019	1.5
177.12753	1.6
181.08594	13.8
191.10643	1.7
192.27747	1.5
195.10358	1.7
210.72644	1.8
251.16519	2.5
294.85013	1.8
429.37149	2.1
447.38351	100.0
448.38916	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	447.3834
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03928	1.4
55.01858	1.3
55.05514	11.8
57.07085	9.0
65.03918	0.7
67.05494	1.9
69.07072	5.4
71.08639	6.9
79.05494	1.9
81.07050	5.0
83.01344	1.2
83.04982	30.7
83.08627	4.9
85.10180	3.9
91.05499	3.3
93.07048	8.7
95.04959	0.9
95.08603	5.7
97.06505	0.9
97.10162	1.9
99.08105	2.0
105.07027	1.5
107.08607	4.0
109.06527	2.2
109.10170	1.8
110.06727	0.7
111.08091	4.0
111.11735	1.1
117.07018	1.0
119.08537	0.7
121.06512	20.7
121.10143	2.0
123.04425	1.3
123.08071	2.6
125.06018	1.3
127.07558	8.5
131.08536	1.0
133.10172	1.6
135.08052	8.2
135.11662	0.8
137.05978	1.8
137.09615	5.7
138.06561	0.9
139.07542	50.1
145.06587	0.8
145.10117	1.6
149.02327	2.5
149.09618	2.7
149.13264	0.8
151.07536	1.9
153.09125	6.3
159.11702	1.2
163.07524	9.4
163.11188	1.5
165.09131	3.1
165.12756	0.8
167.10724	1.8
169.08600	2.1
173.13329	0.9
177.09117	1.6
177.12706	1.3
179.07027	0.9
179.10722	1.0
180.07745	1.9
181.08598	11.6
181.12216	1.8
191.10757	1.1
195.10178	1.6
203.28415	0.6
205.12267	1.2
209.11783	1.5
223.13281	1.6
227.27029	0.7
229.05115	0.7
237.14871	2.1
251.16476	1.9
265.17987	1.0
279.19385	1.1
301.33292	0.7
307.22714	1.3
335.25848	0.9
387.36157	0.7
389.95990	0.7
390.18768	0.6
391.32312	0.8
391.59427	0.7
405.37082	1.0
429.37396	3.7
447.38324	100.0
448.38593	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	447.3834
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
50.50112	0.5
53.03935	1.5
55.05243	0.6
55.05511	10.3
57.06824	0.7
57.07078	7.5
58.07400	0.5
67.05496	2.3
69.03428	0.9
69.07073	5.3
71.08636	4.8
71.49980	0.5
71.50415	0.5
72.17973	0.5
73.07529	0.4
75.83953	0.4
79.05496	2.3
81.07052	4.6
83.04980	29.6
83.08615	3.9
85.10178	3.4
91.05466	3.8
93.07047	8.1
95.04968	1.2
95.08610	5.3
97.06506	0.9
97.10181	2.2
99.08095	1.1
105.07041	1.7
107.08596	3.9
109.06514	2.2
109.10182	2.6
111.08077	3.9
111.11755	0.9
117.07012	0.8
119.08576	1.5
121.06506	17.4
121.10138	2.0
123.08112	2.9
123.11724	1.2
125.06013	1.0
127.07543	7.3
129.06992	0.5
131.08548	1.2
133.10120	1.0
135.08069	8.1
135.11690	1.1
137.05988	1.1
137.09616	3.9
138.06760	0.9
139.07542	45.0
145.10139	1.0
147.11679	0.7
147.51556	0.5
149.02303	0.9
149.09631	2.6
149.13318	0.9
151.07581	2.3
153.09117	4.3
159.11740	1.4
161.09705	0.6
163.07541	8.0
163.11174	1.2
165.09097	3.2
167.07056	3.2
167.10692	1.9
169.08612	2.1
173.09636	0.5
173.13261	0.6
177.09111	0.9
177.12756	1.4
181.08588	11.1
181.12267	1.8
187.14827	0.9
191.10712	1.3
191.14339	0.8
195.10098	1.1
203.80939	0.5
205.12254	0.9
209.11714	1.2
209.15459	0.6
212.74316	0.5
223.13263	0.9
237.14888	1.7
251.16411	2.2
265.18002	0.8
279.19559	0.8
293.21182	0.8
303.66074	0.5
307.22699	0.9
320.89188	0.5
335.25842	0.8
349.27475	1.0
377.30591	0.7
387.36249	0.8
401.37885	0.5
405.37512	1.6
429.37201	1.6
447.38373	100.0
448.38760	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19063	1.7
53.03941	8.7
55.01859	7.2
55.05273	1.9
55.05513	26.2
57.03437	10.6
57.07066	2.1
65.03938	2.8
67.05507	62.3
69.03416	4.7
69.07072	16.7
70.02008	2.9
70.02399	3.5
71.01349	5.6
71.04986	5.8
75.38227	1.6
77.03937	2.0
79.05499	62.2
81.03424	90.8
81.06594	2.5
81.07058	41.1
83.04987	10.6
83.08228	1.8
83.08620	19.8
85.02899	2.3
85.06556	3.9
91.04904	2.9
91.05482	58.7
92.39775	1.7
93.07046	49.6
95.04381	2.6
95.04971	49.2
95.08607	13.9
97.02887	3.3
97.06531	12.1
97.10172	14.7
99.04465	2.7
103.05474	1.6
103.35027	1.6
105.04577	2.1
105.07030	29.4
107.04949	15.6
107.08591	35.2
109.06558	7.5
109.10176	9.4
111.04443	3.4
111.08089	10.4
115.05453	4.6
117.07021	18.0
119.05002	2.5
119.08579	23.7
121.06509	13.0
121.10159	11.8
123.08044	3.7
125.09583	10.4
128.06197	2.0
129.07007	15.9
131.04872	2.4
131.08577	21.0
133.06494	7.4
133.10147	14.7
135.08047	5.8
135.10687	3.1
135.11693	39.5
137.05933	1.6
137.09593	3.6
141.07005	4.1
142.07771	4.2
143.08563	5.4
145.06509	8.1
145.10132	16.2
147.08038	10.3
147.11661	7.4
149.02336	2.6
149.09605	8.3
151.07593	2.7
155.08521	3.6
157.10107	10.6
159.08066	4.4
159.11694	5.8
161.09596	4.4
163.11197	12.5
165.12735	2.5
167.08562	1.7
169.10121	4.4
171.10133	1.8
171.11790	2.2
173.09549	1.7
173.13216	2.4
175.11230	8.9
175.14998	2.0
181.10097	2.0
181.12242	5.9
183.11620	3.3
185.13260	4.3
187.11266	4.2
189.11224	3.9
193.12244	30.1
194.01756	1.5
195.11768	3.3
197.13329	1.9
201.12772	1.9
203.10730	1.9
203.14401	3.9
205.12231	2.9
209.13246	1.8
213.12582	1.9
219.13921	2.9
223.13187	2.3
225.12909	1.8
227.12830	3.5
231.13748	1.8
243.13838	2.5
249.14880	3.6
250.22742	1.6
257.15488	2.7
262.88019	1.9
269.04337	1.9
299.05325	2.6
327.23322	2.2
329.21109	9.2
337.21561	7.9
343.11853	1.9
347.22281	1.9
355.22687	21.9
373.23721	9.2
391.24866	2.1
403.24722	8.9
411.25122	2.1
429.26218	10.8
447.27429	100.0
448.27768	3.8
454.60883	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	3.4
53.03955	5.1
55.01862	3.8
55.05508	12.1
56.05041	1.0
56.52602	0.8
57.03428	2.0
58.55018	0.8
60.04523	4.3
65.03940	24.2
67.05508	43.4
68.99783	3.5
69.03433	24.9
69.07091	1.9
69.28741	5.2
69.29150	2.5
70.06578	3.0
71.01355	3.1
71.59651	0.9
72.08150	2.2
73.02926	2.0
73.04714	1.2
74.08138	1.0
77.03918	0.9
79.16163	0.9
81.03400	1.6
83.04983	88.9
84.04540	1.7
84.08152	1.7
85.02909	16.7
86.09703	42.3
87.00849	2.3
87.04488	1.3
91.05804	0.8
93.03405	28.2
95.04967	69.2
97.02894	4.7
99.00816	19.0
101.02368	1.6
101.06014	3.0
105.04514	3.4
111.04443	100.0
113.02354	1.1
115.03934	2.5
117.01858	2.5
121.02855	14.8
123.87608	0.8
129.05484	36.2
132.04446	1.7
134.04471	3.1
138.05463	0.9
139.03900	44.6
144.08134	1.1
147.06511	4.2
149.02310	1.5
157.04971	36.5
159.72255	0.9
161.95502	1.0
163.03911	1.7
173.12866	2.1
175.05989	6.9
180.06458	1.0
187.14561	0.9
192.35808	1.0
199.18057	10.3
201.12378	1.1
202.09767	1.4
203.06604	1.8
209.04410	4.6
221.07666	7.1
227.05481	10.6
227.17587	6.2
230.09245	1.6
245.06453	1.3
255.05080	2.6
259.12012	4.4
273.06036	21.9
273.08841	1.4
291.07126	0.9
302.12485	2.0
315.04919	3.9
383.09625	1.2
401.10699	8.0
411.07266	1.4
429.10321	9.0
429.23083	1.0
447.11380	22.5
447.17908	2.2
448.19302	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	446.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
58.91650	0.6
60.17841	0.7
60.62105	0.8
61.19279	0.7
67.05486	2.7
69.07067	3.9
70.74870	1.5
70.75211	0.7
81.07052	1.6
83.08628	1.3
91.05531	0.7
93.07044	1.1
95.08604	1.4
97.10181	0.7
109.10140	5.0
119.08561	1.6
121.06520	7.6
122.07251	1.2
127.01345	0.7
136.08842	11.7
137.09622	11.9
149.09651	1.6
152.08310	0.9
163.11174	1.2
164.06914	0.9
164.08344	33.7
165.09120	100.0
166.09465	5.0
177.09090	1.9
191.10722	1.4
203.10709	1.6
205.12268	8.9
285.00742	0.7
296.84973	0.7
375.57724	0.7
385.34903	0.8
387.16055	1.5
388.16293	1.5
389.17670	1.1
402.18387	1.1
403.18930	1.8
416.15887	1.9
417.16962	1.7
418.21326	1.3
419.22189	1.5
428.36508	95.9
429.37030	3.8
431.18103	3.5
446.20648	20.8
446.37064	0.9
447.21588	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	446.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.05509	2.5
56.05838	0.6
57.07076	0.6
67.05518	3.6
69.07068	3.0
69.91636	0.8
69.92032	1.1
70.07386	1.0
71.08604	0.5
76.09733	0.4
81.07048	2.0
82.07333	0.5
83.04961	0.7
83.08601	1.3
83.32111	0.5
84.08926	0.4
91.05452	1.1
93.07025	1.5
95.04949	0.5
95.08588	1.5
97.10155	0.7
100.08003	0.4
103.05486	0.5
109.10163	5.6
112.11979	0.4
113.12345	0.4
119.08572	3.2
121.05676	0.8
121.06504	11.2
121.07378	0.5
122.07269	1.8
125.05934	0.5
135.08031	1.2
136.08847	12.0
137.09622	12.2
138.10168	0.4
140.40764	0.4
149.09628	2.9
150.09996	0.5
151.07538	0.8
152.08278	1.2
163.11232	1.1
164.08337	31.0
165.09117	100.0
166.09453	8.1
177.09132	1.8
177.12718	0.4
187.11189	0.8
189.09106	1.6
190.09872	0.8
191.10674	1.0
192.11220	0.5
203.10667	0.9
204.11296	0.5
205.12253	7.9
409.66479	0.4
428.36496	15.6
446.37546	64.3
447.37726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.4
58.36634	1.1
59.05004	94.2
61.02899	1.5
69.03425	3.6
69.70913	3.1
69.71323	4.8
70.06590	5.5
70.33241	1.2
72.08157	2.2
73.02868	1.5
73.04763	1.3
84.08150	1.6
85.02899	11.0
86.09726	7.0
87.04469	1.9
89.06035	69.9
90.05544	2.9
97.02881	3.1
103.07566	3.5
106.47498	1.2
107.07069	2.6
110.06056	1.7
117.09139	13.3
119.04926	2.6
123.04344	1.3
124.07605	1.2
127.03931	1.7
133.08612	19.8
136.07661	1.3
138.05525	22.1
147.04361	1.7
151.03934	1.6
151.09663	73.8
153.01785	1.2
161.11745	2.2
165.01819	2.0
191.03447	1.8
191.12836	2.5
193.25691	1.3
209.13872	23.9
267.18048	100.0
268.18225	1.5
282.09708	4.3
315.05038	7.5
341.06683	2.9
355.08115	1.4
369.05911	2.5
393.06015	1.3
399.07224	1.6
411.07037	2.9
429.08014	3.1
446.13800	6.8
446.27026	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	446.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
56.05021	1.6
59.04997	5.0
62.23961	0.8
66.68307	0.8
69.07084	1.5
70.06592	8.6
71.06932	1.0
72.08144	3.1
72.65647	0.9
73.04741	1.1
73.06564	1.1
77.06037	0.9
84.04501	1.1
84.08160	2.6
86.09708	12.5
87.04471	30.0
87.10025	1.5
88.03967	1.0
89.06031	71.3
91.05869	1.1
96.04420	1.0
98.21597	3.2
103.03942	100.0
103.07584	3.7
104.04292	1.2
107.72926	0.9
114.80613	0.9
119.07072	1.2
120.08115	1.6
121.02850	0.9
121.08612	1.3
129.10318	1.1
131.07036	8.7
133.08600	43.6
138.05548	2.7
147.04427	1.8
147.06517	10.7
163.09674	3.1
165.05405	1.4
175.09677	6.5
177.11224	15.5
191.09195	6.9
207.12279	3.4
219.12283	1.5
221.13864	3.6
230.34334	1.1
235.11711	5.4
242.32364	1.0
252.70724	1.1
263.15012	0.9
279.14401	1.6
299.05640	1.5
327.20361	1.5
383.22906	1.2
429.23511	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	445.4038
Annotation	CHEBI:69206
Peak:m/z	Relative Intensity
51.18144	1.3
53.03927	3.4
55.05509	22.7
57.07078	14.5
67.05503	30.5
67.69631	1.3
69.03431	10.7
69.07066	52.3
71.04994	8.7
71.08623	6.4
71.21804	2.6
79.05491	15.2
81.07053	61.8
83.04971	1.8
83.08616	20.3
85.06535	6.3
85.10165	2.5
86.63638	1.3
91.05434	7.9
93.07045	25.2
95.08604	100.0
96.08921	1.7
97.06525	15.0
97.10162	14.3
99.08072	4.6
105.04521	1.3
105.06517	1.2
105.07047	15.3
107.08592	33.5
109.06503	3.9
109.10154	73.6
111.08053	7.3
111.11720	16.0
115.07180	1.3
116.11533	1.5
119.08579	14.6
121.10139	33.4
123.08074	4.8
123.10831	2.7
123.11700	42.6
125.09637	4.2
125.13251	2.3
127.11168	1.5
130.33205	1.3
131.08582	2.1
133.10149	10.3
135.08032	1.6
135.11694	21.5
137.05931	2.0
137.09647	6.9
137.13245	22.5
139.07516	2.5
139.11215	3.7
145.10146	4.7
147.11687	10.4
149.09630	3.3
149.13254	20.9
151.07535	3.7
151.11185	2.7
151.14793	9.5
153.12733	1.5
161.09674	2.0
161.13220	8.6
163.14792	16.1
165.09125	14.1
165.16420	1.7
167.14325	2.5
171.11659	2.0
173.13243	1.4
175.11153	2.8
175.14853	6.6
177.16386	17.7
179.17844	2.6
181.15878	3.5
187.14836	1.6
189.16345	5.2
191.10620	1.5
191.17949	10.0
193.15845	2.2
193.19461	2.9
199.17000	1.7
201.16492	1.5
202.09898	2.6
203.10666	1.7
203.17941	7.3
205.12344	1.7
205.19505	20.8
209.18941	1.9
217.19470	3.4
219.21106	5.0
221.18990	2.8
231.21021	2.6
233.22548	3.5
235.20549	2.1
245.22581	1.9
249.22282	1.8
275.23767	1.9
331.29971	1.9
359.32788	2.4
371.33029	2.1
422.43927	1.6
427.39676	3.0
445.40796	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.05511	21.7
57.07076	15.8
61.35859	1.3
67.05504	12.1
69.07068	41.7
71.08628	7.5
71.08963	1.3
71.50099	2.2
71.61124	1.4
77.03930	1.8
79.05488	6.3
81.07051	22.9
83.04967	1.9
83.08621	22.3
85.10174	3.4
91.05487	5.6
93.07029	11.0
93.93394	1.4
95.04964	1.7
95.08606	23.1
95.38368	1.2
96.08956	1.9
97.10176	11.1
105.07015	7.8
107.08582	13.2
109.06524	2.5
109.09450	2.3
109.10156	16.5
110.10467	2.2
111.08085	1.7
111.11720	6.6
117.54041	1.3
119.08585	10.7
121.06493	2.7
121.10146	9.3
122.07312	1.3
123.08056	2.0
123.11711	7.7
124.81921	1.4
125.13325	1.5
131.08551	6.3
133.10085	7.5
135.08047	3.9
135.11717	6.8
136.11995	1.8
137.05948	4.7
137.09645	7.9
137.13249	2.6
137.58685	1.5
139.07535	6.1
143.08530	2.0
145.10167	7.5
147.08040	2.1
147.11696	3.7
149.09616	11.7
149.13240	3.0
151.07532	3.4
157.10153	3.8
159.11713	4.2
161.09642	3.4
161.13280	3.0
163.11171	7.1
163.14792	3.0
164.08308	2.1
165.09119	100.0
170.10944	1.3
171.11694	1.6
173.13190	2.4
175.11183	5.1
175.14803	2.0
177.09073	11.7
177.12660	2.6
179.07010	3.6
180.24379	1.4
181.08606	3.7
185.13235	2.1
187.11105	2.6
189.09085	3.4
189.12718	3.8
190.09822	1.6
191.10704	8.3
191.14409	1.6
193.08617	1.5
193.12193	1.4
201.12688	1.7
201.16399	1.7
203.10686	8.9
203.14311	3.9
205.12257	12.9
213.16339	2.0
217.12172	2.3
219.13814	5.4
231.13846	5.0
345.27942	1.7
409.34293	1.9
413.30298	3.2
427.35626	16.8
428.36697	1.7
445.36536	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	25.8
57.07083	12.7
59.48733	2.3
61.19043	2.1
62.30906	2.2
63.48620	2.0
66.71698	2.3
67.05501	15.0
69.07069	58.1
71.05002	6.0
71.08612	6.4
71.50050	2.2
79.05492	7.2
79.64082	2.5
81.03414	3.1
81.07060	30.2
83.08617	29.8
85.10160	2.3
91.05463	5.4
93.07034	11.6
95.08608	30.1
96.08914	3.4
96.15153	2.1
97.10182	17.1
105.07024	9.9
107.08618	13.6
109.10162	19.8
111.08111	3.7
111.11717	10.3
119.08561	7.5
121.10131	6.9
123.11695	7.4
125.05951	2.3
125.13316	4.5
131.08591	4.3
133.10144	6.4
135.08041	5.3
135.11685	8.1
137.09595	7.9
137.13254	5.1
139.07539	9.2
145.10136	4.3
145.65230	2.1
147.11668	4.0
149.09627	15.4
149.13260	3.5
151.07561	6.2
153.09061	4.6
159.11708	2.8
161.13239	4.9
163.11179	5.5
163.14857	3.6
165.09122	100.0
165.10521	5.4
168.89249	2.6
173.09521	2.6
173.13219	4.2
175.11259	4.4
175.14786	2.1
177.09099	8.3
181.08588	9.5
189.09183	2.6
189.12726	3.1
191.10727	7.0
201.12729	3.5
203.10672	7.8
205.12236	16.6
234.37727	2.8
257.17502	3.0
275.19653	3.1
286.39502	2.3
330.95969	2.4
421.13492	2.3
427.35370	17.9
445.24686	3.1
445.31628	4.6
445.36523	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
54.55173	1.5
55.01855	7.8
55.05513	47.7
57.07077	48.4
65.03915	3.0
67.05503	27.0
69.03413	6.3
69.07069	96.5
71.04979	2.4
71.08631	29.2
73.04754	2.3
79.05488	22.5
79.11264	1.7
79.50976	1.7
81.07055	81.7
83.04962	6.6
83.08620	53.0
85.06566	3.5
85.10197	13.6
91.05459	12.3
93.06488	2.5
93.07041	34.1
95.04962	2.1
95.08607	79.4
97.06537	13.8
97.10173	37.3
98.21527	4.8
99.08086	2.5
99.11697	1.7
105.07020	8.7
107.08593	40.3
109.06501	6.9
109.10158	47.8
111.08087	14.7
111.11709	22.1
119.08585	8.7
121.06480	6.7
121.10145	30.3
123.08044	7.3
123.11703	25.3
124.05182	5.2
125.09592	5.4
125.13284	9.8
133.10123	6.0
135.11699	25.2
137.05965	11.1
137.09575	5.9
137.13242	10.4
139.07542	100.0
139.11166	3.3
139.14813	3.5
145.10112	5.3
147.11658	6.5
149.09579	6.9
149.13263	21.9
151.07506	11.3
151.14775	8.9
153.09015	2.3
159.11659	2.5
161.09622	1.8
161.13261	6.9
163.11244	2.2
163.14828	22.5
165.05449	16.5
165.09114	25.2
165.16385	2.4
167.07008	3.7
167.14334	2.1
171.11655	2.7
175.11118	4.3
175.14832	3.4
177.09114	5.7
177.16359	12.0
179.17845	3.5
181.08635	3.6
181.15865	2.6
185.13222	2.1
189.12770	4.3
189.16396	2.9
191.17949	4.2
193.08658	15.1
193.19501	2.3
195.17444	2.7
201.16313	1.9
203.10670	5.9
203.14297	2.6
203.17972	2.4
205.19540	10.4
217.12206	5.9
219.21001	3.8
221.11726	5.4
231.13766	3.3
233.22508	2.9
235.13255	2.0
249.15030	2.0
289.28952	17.9
307.29932	20.2
333.24216	2.3
371.32907	1.9
399.36197	2.8
417.37021	5.7
425.26212	2.2
427.35669	6.7
445.36298	40.7
446.37094	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	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32497	2.1
53.03938	3.6
53.76113	2.1
55.01866	2.7
55.05509	13.3
57.03422	7.6
57.18495	2.0
57.38562	1.9
65.03926	2.3
66.29891	2.1
67.05174	3.2
67.05507	38.8
68.04550	2.3
69.03425	3.7
69.07064	11.0
69.94117	3.1
69.94510	7.8
71.04975	7.5
76.33643	2.2
79.05072	3.1
79.05492	37.5
81.03396	6.3
81.07057	35.6
83.04974	2.9
83.08615	6.8
84.08128	2.4
85.06539	7.0
86.09693	2.6
91.05466	50.2
93.07048	40.8
95.04969	6.2
95.08622	22.5
97.06526	5.5
97.10147	4.3
103.05488	2.2
105.07027	38.8
107.08594	20.1
109.10139	9.5
111.08067	2.6
114.07243	2.1
115.05464	2.6
117.07011	21.7
119.08578	35.9
121.10141	21.0
123.11720	3.7
125.09592	3.2
128.06236	6.4
129.07004	24.5
131.08571	43.2
133.10126	18.1
135.08054	6.1
135.11679	9.4
141.06956	15.8
142.07744	3.4
143.08571	18.3
145.10133	30.0
147.08064	3.8
147.11655	7.9
149.09615	15.5
151.11192	3.1
153.12758	2.2
154.07758	3.0
155.08553	17.2
157.10123	24.5
159.11661	14.3
161.09590	4.1
163.11252	10.6
167.08563	7.2
169.10118	26.1
171.11691	26.5
173.09596	2.4
173.13251	9.6
175.11151	3.3
177.12733	3.0
179.08504	3.4
181.10139	20.5
182.10895	2.7
183.11720	16.0
185.09723	2.6
185.11823	2.2
185.13243	13.5
187.11232	4.3
187.14798	5.3
193.10008	3.0
195.11659	17.5
197.13239	17.4
199.11203	7.3
199.14787	7.0
201.16429	3.5
203.14362	2.8
207.11749	3.5
209.13260	12.4
211.14825	15.9
213.16399	3.1
221.13312	5.3
223.14746	7.4
225.16400	7.4
227.14418	3.8
235.14926	3.5
241.15790	5.4
243.17599	3.0
251.17987	3.4
255.17406	3.3
259.17035	3.0
265.18039	2.5
269.18985	7.1
277.18051	2.9
279.19666	3.0
311.23694	3.1
317.22580	4.0
325.21652	2.7
325.25299	4.3
335.23630	31.4
349.12439	2.5
353.21259	3.2
353.24768	80.8
353.29074	4.9
359.02969	4.4
361.23901	3.3
371.25775	6.6
389.26294	2.6
427.28445	43.8
445.23483	5.5
445.29471	100.0
446.29965	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	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
53.05476	1.9
53.57071	1.8
55.01865	3.2
55.05515	17.9
55.57822	1.6
57.03426	3.7
65.03924	3.3
67.05506	46.9
69.03423	2.4
69.07069	15.1
71.04967	4.7
71.50644	2.3
73.04731	2.0
79.05489	40.9
80.33172	1.6
81.03423	4.3
81.06595	2.8
81.07059	44.8
82.19463	1.6
83.04972	7.1
83.08608	7.7
85.06566	4.4
91.05470	60.2
93.06481	3.3
93.07044	44.8
95.04961	11.0
95.08064	2.6
95.08609	28.8
97.06521	5.3
97.10149	4.8
105.07037	56.8
107.04950	3.3
107.08620	19.3
109.06533	6.8
109.10146	13.4
111.08079	5.1
115.05444	3.8
116.06207	2.0
117.06346	2.3
117.07031	24.9
119.08578	34.6
121.06513	7.5
121.10157	14.4
123.08054	5.7
123.11714	4.5
125.09618	2.1
128.06241	3.1
129.07007	22.0
131.08566	41.7
132.54494	1.9
133.06448	2.4
133.10132	21.3
135.08058	5.1
135.11684	8.2
137.09593	2.4
141.06987	5.8
143.08554	17.9
145.06534	4.6
145.10106	24.3
147.08057	3.0
147.11659	10.5
149.09651	3.5
149.13252	2.6
155.08592	9.5
157.10152	14.1
159.11667	11.4
161.13251	2.5
163.11133	3.7
167.05577	2.4
167.08565	4.0
169.10086	8.6
171.11676	9.1
173.13280	4.0
175.11229	2.1
175.14836	2.2
181.10124	3.8
183.11720	6.4
184.07419	3.7
185.09576	2.2
185.13260	4.0
187.14847	4.5
195.11745	3.2
197.13319	4.3
199.14818	4.0
201.16431	2.6
207.13878	2.2
209.13268	2.7
211.14909	4.1
217.15956	2.2
223.14873	3.3
229.15886	2.4
233.15349	2.5
247.17049	4.5
259.16922	2.6
261.18652	2.9
291.08032	1.8
325.25214	3.1
335.23773	4.8
343.26398	6.5
353.24701	22.8
356.97345	1.8
359.02945	2.4
359.44736	1.7
371.25888	20.8
389.26874	19.5
427.28436	4.8
445.29550	100.0
446.29700	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	445.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01861	3.4
55.05273	1.3
55.05510	12.8
56.55745	1.0
57.03418	3.5
59.04996	1.2
63.64374	1.0
65.03941	2.4
65.88180	1.0
67.05508	35.2
69.03423	1.8
69.07050	4.4
70.06585	1.8
70.66898	2.8
71.04977	3.3
73.04742	2.3
79.05088	1.8
79.05498	25.5
79.34195	1.0
81.03422	52.0
81.07056	20.1
83.04957	4.8
83.08608	12.3
85.02892	1.5
85.06529	1.7
86.09673	1.3
91.05477	94.9
93.07047	16.8
94.45658	1.2
95.04980	23.1
95.08605	7.7
97.02875	3.3
97.06512	1.7
97.10159	5.5
99.08097	1.3
105.07030	43.8
107.04956	6.8
107.08600	11.7
109.02853	1.2
109.06480	4.0
109.10143	3.8
111.04433	2.8
111.08086	5.6
115.05427	2.8
117.07019	10.6
117.64440	1.0
119.07800	1.9
119.08582	20.9
121.06467	4.1
121.10151	7.6
123.08038	1.8
125.09609	4.7
127.03834	1.2
128.06209	5.1
129.07021	10.3
131.04884	1.5
131.08562	18.4
133.06468	3.5
133.10133	100.0
135.08028	2.5
135.11674	5.4
137.09624	1.6
141.06985	2.9
142.07773	2.2
143.08563	9.3
145.06497	3.3
145.10103	5.4
145.19801	1.1
147.08052	4.3
147.11639	4.1
149.09616	4.0
151.07513	1.9
151.11147	7.1
155.08524	2.7
156.76277	1.1
157.10117	7.3
159.08026	3.1
159.11720	2.0
161.09636	19.2
163.11247	2.3
165.09018	1.7
167.08479	1.4
169.10095	3.0
171.11673	3.5
173.09627	1.7
175.11189	6.0
179.10634	3.4
181.10172	2.5
183.11696	2.5
185.09583	2.7
187.11218	2.5
189.11195	1.6
191.10733	1.3
193.12245	15.0
195.11659	1.1
197.11713	3.0
199.11053	2.4
201.12752	3.2
205.12297	2.4
219.13759	6.3
223.13127	2.2
227.12718	1.2
239.06935	1.2
249.14899	1.5
289.17960	2.0
307.20563	1.5
311.14844	3.0
325.21667	3.6
335.19986	3.2
343.22638	4.8
353.21045	17.6
359.02817	2.7
362.70654	1.3
371.22015	3.7
389.23206	6.3
427.24774	5.0
429.26520	1.2
445.25754	78.3
446.26132	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	445.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
54.41261	3.2
55.01862	7.3
55.05510	21.2
57.03447	18.4
59.04993	15.4
61.02922	4.1
66.92642	3.2
67.05508	64.7
69.03438	23.0
69.07063	16.4
70.06600	23.5
71.04995	100.0
71.08687	6.8
73.04754	12.6
79.05503	30.2
81.03419	44.1
81.07057	73.9
83.04990	13.4
83.08617	9.3
84.08131	9.0
85.02909	15.9
85.06544	13.9
86.09707	23.4
87.04461	4.5
89.06032	8.1
91.05431	48.8
93.07030	30.8
95.04972	21.3
95.08585	21.7
97.02896	36.9
97.06535	11.8
99.08122	3.4
103.04002	4.0
105.07032	30.8
107.04942	8.4
107.08602	29.8
109.02869	15.3
109.06545	11.3
109.10157	23.1
110.07195	5.3
111.04483	6.6
117.07026	9.9
119.08592	11.2
120.08138	6.3
121.06476	6.1
121.10139	11.3
123.04491	3.6
123.08123	3.9
123.11665	16.8
125.05951	6.3
125.09632	6.4
127.03922	9.0
129.05443	4.2
131.08560	13.8
133.08603	6.0
133.10144	43.7
135.08058	4.8
135.11696	11.5
137.05981	9.2
145.10197	8.4
147.11665	6.4
149.09572	4.4
149.13258	12.6
151.07532	6.7
151.11157	22.5
157.10066	3.9
159.11713	7.7
161.09666	7.8
163.11302	4.2
165.09111	7.5
167.05542	9.1
167.06976	4.0
169.12315	3.7
173.04478	13.1
175.11214	4.0
177.11243	4.1
177.12772	8.2
183.13811	8.0
187.13283	28.4
191.10634	3.5
193.12335	5.7
201.13118	4.6
201.14848	18.1
223.07654	3.5
243.16008	6.9
255.11340	7.2
257.17493	62.4
283.19211	4.9
301.20047	13.3
325.07120	7.8
353.21057	8.6
359.02762	15.5
373.27777	3.9
413.21722	8.3
445.17892	5.5
445.24524	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	444.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	1.3
62.41867	1.1
67.05495	2.9
69.07047	1.2
70.06593	10.4
71.16241	2.7
79.05494	2.0
81.07068	3.1
83.08598	1.7
86.09702	3.8
91.05477	2.5
93.08546	1.3
95.08611	2.7
98.21186	1.7
105.07026	2.5
107.08588	2.0
118.06863	3.5
119.08577	1.5
132.81538	1.4
133.10208	1.5
135.22180	1.5
140.04945	4.0
154.06544	1.4
155.06049	16.3
157.07494	1.3
165.09131	10.3
166.09467	3.3
167.06049	3.7
168.06743	2.6
168.92886	1.5
169.07614	31.7
170.06021	2.4
179.06033	10.0
181.07585	3.2
182.05984	1.5
182.08440	1.8
183.05573	14.2
183.09227	3.0
184.07617	2.2
185.07166	8.5
193.07666	9.6
195.05547	23.8
195.10260	1.5
196.06297	14.3
197.07111	23.4
198.05510	4.3
200.67012	1.2
207.05519	6.3
209.07129	3.8
211.05104	3.9
211.08694	4.6
213.06621	20.7
221.07103	18.5
223.05121	1.6
225.06581	41.3
227.08138	2.3
229.06096	16.4
237.06641	4.5
238.07414	4.1
239.04521	2.3
239.08180	22.6
241.06097	2.9
243.07689	6.1
249.06650	9.3
253.06139	11.6
255.07706	1.7
256.08469	1.5
257.05664	4.2
265.06177	2.0
267.07623	11.5
269.05722	2.4
271.07117	23.8
277.06085	9.5
285.08704	29.9
295.07138	31.5
313.08188	31.9
331.09274	8.4
338.14969	4.8
358.51422	1.4
380.16019	11.1
384.15555	43.8
398.17032	20.7
426.16623	38.4
444.17697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69073	0.3
57.03447	0.5
62.27507	0.4
65.03938	1.6
69.29026	3.2
70.06591	0.9
71.01342	0.5
72.08168	0.4
73.02910	0.5
73.04758	0.4
75.48501	0.3
84.08131	0.4
85.02899	2.9
86.09725	0.5
87.50288	0.4
92.05009	2.0
93.03388	1.0
95.01315	1.3
105.07029	1.1
105.78789	0.4
110.06051	0.3
110.09631	0.4
113.02357	0.8
116.07070	0.4
120.04443	1.1
122.09658	0.8
129.26494	0.3
138.05476	0.7
141.01834	2.2
148.03961	1.8
150.05530	1.1
159.02951	0.5
163.02682	0.9
166.04996	1.6
176.03430	100.0
177.03760	1.2
181.75826	0.4
183.08914	0.4
194.04480	4.6
218.62283	0.4
223.92831	0.4
250.07101	5.3
268.08173	36.7
269.08542	0.7
339.92978	0.4
406.37360	0.4
445.13208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03199	2.2
57.03440	26.2
59.50437	1.8
62.82704	1.7
70.02941	3.4
70.06590	13.0
70.39751	3.9
70.40105	3.3
71.04988	26.7
72.08145	2.8
73.04746	3.6
75.04482	23.0
85.02885	6.2
86.09689	3.1
91.05762	4.3
93.05516	38.1
95.01310	6.6
103.03871	2.0
105.07039	14.9
107.04905	2.4
113.02318	2.4
113.05991	4.9
117.05483	8.7
122.09660	7.2
131.07050	29.5
138.05554	2.3
139.42558	2.0
141.01781	7.7
141.05470	4.5
147.04422	3.7
148.07547	2.2
163.03859	4.2
167.05460	2.1
175.36984	1.9
176.01997	3.5
176.03426	39.7
177.03766	2.1
187.09637	40.2
194.04439	3.1
213.25600	1.8
215.09143	12.8
225.04236	2.2
233.10201	100.0
250.07135	4.8
268.08176	18.4
297.05319	3.1
354.83850	2.0
359.02750	4.4
409.90140	2.0
427.21558	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
55.05269	3.3
55.05511	37.4
57.07082	13.6
67.05506	28.0
69.03432	2.6
69.07069	39.6
71.08619	10.6
71.27894	3.7
71.28228	2.4
73.02914	5.2
76.79029	2.2
79.05497	15.4
81.06593	3.6
81.07059	55.5
83.08611	30.9
85.06537	3.1
85.10174	3.1
91.05476	10.0
93.07049	31.3
95.08605	68.5
97.06526	3.2
97.10160	14.6
99.04403	2.6
103.35310	2.1
105.07040	21.4
107.08601	48.8
109.10163	62.6
111.08087	4.0
111.11721	6.4
119.08582	26.6
121.10141	44.2
123.08057	3.1
123.11699	28.5
131.08594	4.4
133.10127	19.0
135.11684	31.0
137.09644	5.5
137.13261	16.7
145.10147	8.1
147.11670	18.5
149.09663	2.8
149.13281	22.6
151.11194	6.0
151.14850	8.2
159.11681	6.0
161.13261	15.9
163.11227	3.2
163.14833	14.5
165.16389	4.3
173.13295	7.0
175.14845	7.3
177.16441	10.3
181.12285	5.7
187.14859	4.0
189.16405	8.8
191.17935	8.3
193.12151	3.2
194.80489	2.5
195.13870	5.5
201.16318	3.4
203.14558	2.5
203.18053	3.7
205.19550	8.0
207.13783	3.4
209.15463	3.6
215.17947	3.0
219.21007	2.2
223.16817	2.2
235.16707	2.2
244.81149	2.4
249.18481	3.3
261.25873	5.4
263.20172	6.1
275.20203	7.6
277.21655	4.3
291.23203	3.5
317.24747	3.1
359.29788	2.5
361.30988	4.3
425.37991	6.7
443.33716	5.3
443.38882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.95859	2.2
54.32451	2.1
55.01856	2.8
55.05518	17.2
57.03431	2.2
57.07059	8.1
60.12638	2.3
65.03891	2.6
67.05509	31.2
69.03425	2.8
69.07060	24.9
69.34644	17.6
71.04987	3.2
73.02908	6.1
79.05491	16.4
81.07057	59.2
83.08625	15.9
85.06532	8.7
88.09211	2.5
91.05461	11.8
93.07041	33.7
95.08611	100.0
97.02917	2.4
97.06499	3.0
97.10171	8.5
99.08106	8.5
105.07030	28.6
107.08607	64.3
109.10159	84.8
111.08054	3.3
111.11724	5.7
117.05506	2.4
117.06952	2.6
119.08588	37.5
119.09389	4.3
121.09331	4.1
121.10146	47.1
123.08041	4.8
123.11721	28.4
127.11166	3.1
129.07114	2.8
131.08572	5.9
133.10138	27.5
135.11694	41.1
137.09674	5.9
137.13260	9.3
139.11205	3.1
145.10118	9.1
147.11674	25.4
149.09682	3.0
149.13254	22.7
159.11687	10.8
161.13258	20.3
163.14845	19.7
165.09108	6.5
173.13303	7.2
175.14865	9.6
177.16382	9.1
179.14284	11.1
187.14876	7.4
189.16374	15.1
190.35431	2.6
191.17943	34.5
199.14946	5.2
201.16243	5.5
203.17941	21.6
205.19466	8.7
207.17442	5.9
215.17850	4.6
217.19521	15.6
231.21220	3.2
235.20625	5.9
243.21126	3.0
245.22708	3.5
343.33621	2.6
407.36786	4.0
425.38135	28.9
443.39157	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	Epigermanidiol
Peak:m/z	Relative Intensity
53.03975	4.0
55.05518	43.1
56.17263	2.5
57.07069	15.2
57.43769	2.9
60.11632	2.4
67.05506	34.5
69.07074	57.3
70.74826	4.4
70.75171	5.9
71.04974	2.8
71.08639	13.3
73.02937	7.9
75.04354	2.6
79.05503	14.4
81.07063	58.8
83.08628	34.5
85.06552	4.1
85.10225	2.9
91.05508	9.5
93.07049	40.8
95.08612	91.5
97.06478	2.6
97.10175	13.9
105.07048	15.2
107.08592	61.0
108.84448	2.8
109.10158	77.8
111.11732	10.7
119.08580	21.2
121.10145	57.3
123.11700	33.7
125.09656	4.1
127.11260	3.0
129.09093	4.3
131.08566	3.7
133.10132	25.3
135.08069	3.4
135.11688	38.6
137.09616	5.8
137.13266	25.5
145.10173	8.6
147.08090	2.5
147.11676	17.2
149.13263	43.6
151.11191	3.8
151.14827	9.8
153.12872	3.6
159.11693	4.5
161.13251	15.1
163.14862	17.9
165.16447	5.6
173.13219	5.5
175.11255	3.0
175.14949	7.9
177.16426	11.5
179.14273	4.6
185.13435	2.9
187.11220	2.8
187.14906	4.4
189.12744	4.3
189.16422	10.2
191.18021	9.4
193.12282	5.0
195.13884	7.1
203.18053	5.1
205.12309	4.1
205.19638	12.6
209.15366	6.0
217.19579	6.3
219.21140	7.4
221.22812	2.9
223.17023	6.4
247.24298	5.1
249.18582	5.9
261.25912	5.7
263.20200	7.5
272.06216	2.9
272.09900	2.6
275.20163	3.8
277.21753	5.2
287.27417	6.4
289.21768	5.6
291.23190	4.3
303.23248	4.4
317.24887	3.7
373.31122	5.7
425.38126	7.4
443.34109	6.9
443.38995	100.0
444.39606	4.5
456.31213	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	443.3885
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
55.05518	19.5
56.87086	3.3
57.03446	4.2
57.07069	8.1
58.56257	3.6
67.05242	3.2
67.05507	31.3
69.03401	3.9
69.07072	36.5
69.84029	5.1
69.84307	20.7
79.05470	10.7
81.07050	54.9
83.04977	3.9
83.08608	18.1
84.66511	4.0
85.06568	5.6
88.08989	3.5
91.05463	11.2
93.07056	32.6
95.08608	100.0
96.43384	4.0
97.10187	10.0
99.08129	3.7
105.07047	22.7
107.08603	53.3
109.09490	4.7
109.10162	70.0
111.08039	4.4
111.11679	7.0
119.08595	29.3
121.10145	39.3
123.11709	37.0
125.09654	4.0
127.11188	6.6
131.08553	4.9
133.10121	14.9
135.08073	4.6
135.11679	24.8
137.13220	19.0
138.71643	4.2
145.10088	10.1
147.11650	15.4
149.13248	23.9
157.10170	5.8
159.11681	15.8
161.13213	9.5
163.14822	20.8
165.09122	5.9
165.16428	4.5
171.11606	4.8
173.13251	4.6
175.14851	5.7
177.16402	10.2
189.16322	8.8
190.72092	3.7
191.17926	13.9
191.68840	4.1
201.16351	8.2
203.17935	10.7
205.19519	24.9
205.98776	4.2
215.17932	8.5
217.19492	6.9
219.21222	4.0
227.18015	3.8
243.21236	4.6
243.65555	3.6
343.29770	4.2
425.37979	28.7
443.34274	5.6
443.39023	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.03932	2.5
55.05515	43.0
57.07075	19.1
59.76906	2.4
61.88156	1.9
67.05508	32.1
69.07071	58.7
69.63244	14.5
71.04997	2.9
71.08633	9.7
79.05488	15.5
81.07056	64.2
83.08624	39.0
85.06538	4.2
85.10181	7.9
91.02012	2.0
91.05475	12.2
93.07040	41.6
95.08610	90.1
95.27783	2.1
97.06552	2.1
97.10181	19.2
99.56853	2.2
101.06000	2.4
105.07038	23.5
107.08600	63.9
109.10161	72.1
111.08094	2.8
111.11727	11.0
119.08582	24.4
121.10143	63.2
123.08015	3.9
123.11704	44.1
131.08653	3.1
133.10115	23.1
135.11699	40.3
137.09624	3.6
137.13245	24.9
145.10170	6.4
147.11690	20.1
149.09636	4.8
149.13257	27.3
151.14844	8.9
153.09125	3.1
159.11736	8.1
161.13249	16.8
163.11180	3.8
163.14859	16.6
165.09070	3.3
167.10722	3.7
173.13260	5.5
175.11293	3.1
175.14890	8.3
177.12778	2.2
177.16415	13.3
179.14285	2.4
181.12321	6.6
187.14868	3.3
189.12730	2.6
189.16402	5.1
191.17961	6.3
193.12274	3.7
193.19543	3.4
195.13797	4.4
203.18051	4.6
205.19542	6.8
207.13881	6.9
207.21075	3.8
209.15413	10.4
217.19504	4.0
219.21014	5.4
221.15422	3.9
223.16914	5.3
231.21118	2.8
237.18683	5.1
247.24300	6.8
249.18585	6.5
261.25803	12.5
263.20087	8.9
273.25568	2.7
275.20154	5.6
277.21707	7.6
287.27274	3.6
291.23050	2.8
305.24710	2.8
317.24747	4.2
324.80606	2.2
331.26453	3.4
373.30963	3.2
425.38107	6.0
443.38940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	Epigermanidiol
Peak:m/z	Relative Intensity
55.01859	2.5
55.05518	5.8
57.07073	1.6
67.05502	14.7
69.03441	1.2
69.07072	18.3
71.00346	2.4
71.04996	2.7
73.02914	17.9
73.76225	1.1
79.05488	7.2
81.07059	32.3
83.04977	1.6
83.08622	4.8
85.06501	1.3
91.05473	5.2
93.07037	14.3
95.08608	63.2
97.10186	4.6
103.52387	1.2
105.07050	10.1
107.08591	24.5
109.10159	49.3
111.11726	5.3
117.07075	1.4
118.35319	1.4
119.08576	5.5
121.10144	18.2
123.11705	22.4
125.09651	3.7
133.10135	8.2
135.11690	16.8
137.09702	2.1
137.13254	11.3
145.10155	2.9
147.11697	3.9
149.13272	18.1
151.11168	14.2
151.14825	6.3
153.12721	7.1
155.22675	1.3
159.11729	3.1
161.13254	4.4
163.11159	1.3
163.14813	10.6
165.16339	2.3
167.10716	2.0
167.14302	1.8
169.12302	1.9
173.13335	1.4
175.14877	3.4
176.59390	1.2
177.16414	6.9
179.14253	2.1
189.16444	3.6
191.17931	5.9
201.16319	1.9
203.17993	4.2
205.19527	30.9
207.17555	1.9
215.17982	2.3
217.19618	4.1
219.17479	1.7
219.21140	4.5
221.18890	1.8
225.18498	2.9
231.21161	1.8
233.19078	2.2
245.22783	2.0
259.24316	1.4
369.35214	2.9
407.36780	1.6
425.37726	8.3
443.38901	100.0
444.39328	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	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	20.3
57.07074	10.3
59.26658	2.9
67.05508	33.3
69.03419	18.1
69.07072	38.2
71.04991	17.0
71.08643	3.5
71.15475	6.1
71.15807	4.7
79.05487	18.7
81.07058	76.2
83.08622	13.8
85.06539	23.6
91.05490	9.1
91.35110	3.0
93.07050	40.1
95.04949	4.9
95.08608	100.0
95.09181	5.8
97.06539	27.5
97.10181	8.0
98.71188	3.6
99.08093	7.7
103.03113	3.2
105.07046	19.8
107.08593	43.9
109.10153	87.8
111.08082	12.3
111.11721	15.0
119.08569	22.9
121.10137	45.0
123.08090	5.4
123.11701	57.6
125.09639	6.8
131.08595	8.7
133.10081	16.4
135.08073	4.4
135.11707	29.8
137.09625	12.9
137.13237	18.4
139.11162	8.5
145.10094	14.7
147.11693	15.2
149.13275	23.6
151.11215	4.4
151.14883	3.5
153.12718	4.8
159.11690	10.9
161.13269	12.7
163.14824	31.1
171.11613	4.6
173.13266	5.6
175.14844	11.3
177.16405	13.3
187.14775	8.9
189.16435	5.5
191.14284	5.0
191.17950	9.9
193.15851	4.9
201.16432	5.1
201.43265	3.6
203.18004	5.5
205.16023	3.4
205.19550	19.2
217.19624	6.0
218.43004	3.4
219.17471	7.8
219.21114	17.3
223.16780	3.7
233.18987	4.5
237.18553	4.0
278.44424	3.4
425.37839	12.8
443.33469	4.2
443.38791	21.3
443.89032	3.6
446.07773	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	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.9
57.07072	7.0
65.80270	3.1
67.05508	33.9
69.03418	9.6
69.07069	41.0
71.04989	11.8
71.08620	4.7
71.10294	4.2
79.05481	18.6
81.06595	4.6
81.07059	61.3
83.08604	15.2
84.68206	3.7
85.06551	33.0
91.05452	7.6
93.07043	31.4
95.08611	100.0
97.06538	19.0
97.10156	10.6
99.08099	8.7
105.07031	21.1
107.08595	36.9
109.06503	3.8
109.10156	85.8
109.10854	7.3
111.08076	10.2
111.11720	13.9
119.08588	17.7
120.18943	3.4
121.10152	37.4
123.08064	7.1
123.11711	43.7
125.09622	9.7
131.08548	8.9
133.10121	19.5
133.84235	3.2
135.11676	27.0
137.05936	4.2
137.09586	6.0
137.13231	20.2
139.11194	7.1
145.10123	16.7
147.11682	12.7
149.13300	18.8
149.72101	3.1
151.14879	3.4
153.12732	6.2
159.11699	12.1
161.13228	6.7
163.11165	4.5
163.14845	19.8
165.12791	3.6
173.09541	3.4
173.13356	7.3
175.14888	6.8
177.16399	10.3
187.14803	7.6
189.16478	3.8
191.14157	4.9
191.17957	15.5
193.15672	3.2
201.16367	6.8
203.17917	8.9
205.19554	29.9
215.18011	4.0
217.19485	4.4
219.17401	7.9
219.20969	17.0
231.21254	3.7
235.47321	4.1
237.18561	4.8
243.21022	4.8
261.22156	4.6
279.23013	4.1
425.37689	15.6
443.33658	18.8
443.39145	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	443.3885
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.16764	3.9
55.05514	35.1
57.07069	17.5
64.42326	3.7
67.05510	46.6
69.07067	49.1
69.62437	10.5
69.62859	17.2
71.05017	5.2
71.08612	4.6
79.05089	4.7
79.05481	26.2
81.07055	68.9
83.08622	25.0
85.06551	31.8
91.05483	22.5
92.43703	4.1
93.07053	48.4
95.08609	100.0
95.09187	8.1
96.95308	4.2
97.04553	4.0
97.06534	16.0
97.10163	14.3
99.08134	5.4
105.07026	38.4
107.08604	78.4
109.10162	82.3
111.08083	12.8
111.11742	9.9
116.55476	4.5
119.08577	41.2
121.10162	51.8
123.08051	7.6
123.11690	46.8
125.09630	10.0
127.11195	5.0
127.48424	4.0
128.61951	4.1
131.08563	9.3
133.10139	32.6
135.08078	6.6
135.11722	51.6
137.13274	17.0
145.10159	22.8
147.11664	27.7
149.13260	33.5
156.68390	5.4
159.11703	39.3
161.13245	22.5
163.14853	16.0
165.09103	15.7
171.11682	5.8
173.13289	17.7
175.14847	11.0
177.16425	10.1
187.14767	8.1
189.16403	21.4
191.17957	13.3
199.14810	5.0
201.16434	24.4
203.17993	14.7
205.15851	6.9
205.19518	14.5
207.17203	5.5
213.16382	3.9
215.17964	10.0
217.19521	8.6
219.21112	5.0
221.18993	7.0
230.42244	4.6
315.26865	4.2
425.38031	42.9
443.33325	47.2
443.38843	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	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.70983	2.5
53.03947	3.8
55.05513	19.7
57.03432	5.8
57.07072	6.6
59.04997	3.9
67.05505	35.0
69.07076	30.5
71.04996	3.1
79.05502	17.7
81.07057	63.6
83.04968	4.9
83.08612	10.9
85.06533	4.9
89.44693	2.8
91.05478	18.6
93.07040	44.7
95.04993	3.8
95.08610	100.0
97.06544	7.4
97.10178	8.8
99.08094	4.4
105.07036	28.0
107.08601	58.8
109.10159	97.1
111.11686	5.5
117.07008	3.5
119.08592	42.1
121.10144	55.9
123.08081	3.7
123.11694	28.5
125.09604	7.7
127.11197	7.3
131.08568	6.8
133.10135	32.7
134.07031	2.7
135.11694	46.7
137.13264	8.4
139.11230	5.3
143.08511	3.3
145.10135	10.9
147.11678	27.1
149.13272	27.8
151.14893	2.9
157.10175	3.1
157.30249	2.9
159.11726	13.6
161.13235	26.3
163.14825	23.2
165.09088	6.2
165.12856	3.4
171.11655	3.7
173.13202	5.3
175.14841	10.4
177.16403	10.7
179.14322	13.6
187.14818	6.3
189.16382	17.8
191.17950	43.5
198.64220	2.7
201.16437	7.5
203.17979	18.2
205.19496	5.3
207.17484	12.0
215.18019	6.5
217.19510	26.0
219.17477	3.3
221.19028	6.0
229.19530	5.1
231.21118	4.3
233.18990	3.9
235.20622	6.7
243.21046	4.0
245.22815	4.8
297.25800	3.2
315.26981	4.1
319.96457	2.8
320.67709	2.6
407.36722	5.1
425.37927	39.6
443.19312	9.9
443.39154	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	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03937	1.2
55.01863	1.5
55.05510	6.2
57.03435	0.8
57.07071	3.4
67.05175	1.2
67.05505	13.3
69.03420	0.9
69.07067	13.5
70.95353	1.6
70.98684	0.7
71.04996	1.4
74.78841	0.7
77.30096	0.8
79.05486	8.0
81.03416	1.9
81.07053	21.7
83.04985	1.2
83.08616	9.5
85.06547	1.2
91.05483	7.2
93.07041	17.1
95.01324	2.1
95.04991	1.9
95.08607	33.3
97.06528	2.2
97.10159	3.3
99.08060	0.9
101.77626	0.7
103.05489	1.0
105.07040	10.2
107.04986	1.3
107.08588	24.3
109.06521	0.9
109.10155	28.4
111.08092	2.3
111.11700	1.0
117.06985	2.0
119.07723	1.0
119.08572	15.8
120.98186	0.6
121.06487	0.8
121.10135	19.2
123.08054	1.9
123.11705	12.5
125.09637	1.4
127.11174	1.3
129.06996	1.3
131.08553	3.0
133.10127	16.6
135.11694	19.3
137.13271	4.6
139.11157	0.8
141.01822	0.7
145.10136	4.7
147.11707	12.1
149.05884	1.1
149.09642	1.1
149.13251	10.8
151.03993	1.0
151.11272	1.1
151.14891	0.7
153.12819	1.4
157.10168	1.7
159.11682	4.8
161.13263	9.2
163.14828	7.2
165.09068	4.8
165.12712	1.2
165.16411	0.8
171.11693	1.4
173.13277	2.4
175.11174	1.4
175.14845	4.3
177.12868	1.1
177.16379	4.2
179.14377	1.4
179.17978	0.7
185.13277	1.1
187.11235	0.9
187.14821	3.1
189.16364	9.9
191.17963	9.1
193.12268	1.0
201.16441	2.5
203.17966	6.7
205.12317	1.2
205.19482	2.3
207.17450	7.6
213.16473	0.8
215.17982	2.1
217.19508	4.9
219.20950	1.4
221.19012	3.5
227.17952	1.0
229.19550	2.2
231.21036	1.1
235.20599	1.0
245.11954	0.7
245.22595	0.9
247.20679	0.7
249.14671	0.7
271.24060	0.9
275.23602	0.8
285.26013	1.0
307.31732	0.7
325.29156	1.1
333.13330	1.2
351.14456	7.3
407.36499	1.7
425.37750	8.1
443.19153	3.6
443.38882	100.0
444.39014	3.7
453.10324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01857	9.3
55.05509	37.4
57.07079	29.3
66.53243	2.8
67.05508	26.6
69.03394	2.9
69.07068	82.3
69.36479	13.3
69.36905	9.4
71.08618	10.8
79.05486	21.0
79.88876	4.2
81.07055	83.8
83.05006	5.8
83.08620	45.7
83.59143	2.6
85.06549	4.2
85.10186	5.5
86.88545	2.5
91.05472	18.1
93.07037	29.3
95.04979	5.2
95.08604	82.9
97.06551	4.9
97.10166	26.8
99.04471	3.5
104.70723	2.8
105.07032	23.6
107.08593	25.7
109.06511	28.6
109.10161	46.4
111.08042	4.1
111.11697	18.8
119.08597	14.0
121.06463	4.6
121.10146	20.9
123.08076	12.4
123.11710	23.1
125.05978	28.6
125.09678	2.9
125.13294	7.6
131.08568	3.7
133.06506	14.9
133.10118	14.3
135.08041	7.4
135.11691	15.2
137.05981	78.6
137.09586	6.5
137.13254	8.3
139.07527	44.0
139.83073	2.9
143.08591	2.9
145.10103	5.9
147.11681	13.6
149.05978	3.6
149.09625	8.4
149.13258	10.3
151.07565	40.6
151.14832	4.0
152.94991	2.7
153.09016	3.3
159.11725	6.7
161.05984	12.9
161.09598	4.1
161.13252	11.1
163.14793	8.9
165.05455	7.6
165.09116	23.1
165.16391	3.3
167.07011	7.7
169.11499	3.1
173.13220	3.0
175.11121	5.8
175.14836	2.8
177.09032	6.9
177.16440	4.2
179.07034	100.0
179.10452	3.3
187.11223	4.4
189.09122	3.8
189.12694	3.4
189.16301	4.1
191.17920	4.0
193.08589	10.8
199.14995	3.5
201.12701	5.0
203.10710	5.4
203.14268	3.2
205.12323	6.2
213.16461	3.1
217.12181	6.2
219.13832	3.5
221.11688	7.1
229.12384	4.7
235.13287	5.1
247.12994	3.1
254.77258	2.7
287.27319	9.3
300.27997	3.0
305.21146	3.7
305.28406	9.0
397.34579	6.8
415.35754	16.1
425.34109	11.6
443.34592	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	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88351	0.4
55.05514	2.7
56.99223	0.4
57.07063	1.9
57.23544	0.4
59.05012	0.5
64.20466	0.4
67.05500	6.9
69.03418	0.7
69.07071	4.0
71.04984	1.6
71.08620	0.7
79.05482	2.5
81.03392	0.4
81.07062	7.7
83.04951	0.7
83.08599	2.0
85.06528	1.3
87.04468	11.7
88.04785	2.2
91.05457	2.0
93.07053	3.6
95.04975	0.5
95.08607	10.0
97.06522	0.9
97.10179	1.1
99.08090	0.7
105.07024	3.2
107.08591	6.2
109.10155	11.4
109.49422	0.4
111.08056	1.1
111.11720	0.9
117.07053	0.5
119.08580	5.1
121.06471	0.6
121.10159	3.3
122.07278	1.3
123.08065	0.7
123.11697	4.1
125.09630	0.6
127.11180	0.6
131.08559	1.0
133.10112	2.7
134.89034	0.5
135.11691	3.2
137.09613	9.5
137.13235	2.2
145.10092	1.6
147.11699	1.9
149.09608	0.7
149.13252	2.0
151.07532	0.6
151.11145	0.7
151.14763	0.7
157.10088	0.7
159.11647	1.3
161.13251	1.4
163.14836	1.6
165.09111	100.0
166.09387	2.4
173.13260	1.0
175.14836	0.9
177.09077	0.6
177.16449	0.9
179.07019	4.9
185.13387	0.8
189.16365	1.0
191.17986	0.6
196.27931	0.5
201.16371	0.5
203.14264	0.5
203.17986	0.7
205.12151	0.7
205.19481	0.7
217.19510	0.9
229.19531	0.8
231.13824	0.6
231.21155	1.0
291.26834	0.8
343.29626	0.5
351.14548	0.6
425.37997	1.1
443.33527	4.9
443.38879	7.3
454.56149	0.5
464.70117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90440	0.4
52.46484	0.3
55.00325	0.4
55.05520	0.4
56.05040	0.5
58.06592	0.4
60.05373	0.5
60.05652	6.5
61.54528	0.4
69.07069	8.4
69.21541	3.7
70.06593	20.1
71.04984	0.4
72.04524	0.4
72.08160	1.5
72.93755	0.5
84.08160	0.5
86.09706	100.0
87.10005	0.7
105.06927	0.4
109.06546	1.3
112.08721	4.4
113.07187	0.7
114.10288	1.0
115.08692	3.9
116.06361	0.6
116.07098	7.0
121.10142	0.6
128.10718	16.8
128.11674	0.8
130.09744	2.8
132.95798	0.5
133.09724	0.9
143.61169	0.4
144.95802	0.5
156.10173	1.3
156.11328	6.8
158.09270	7.1
158.97433	0.8
175.11902	17.6
185.10307	0.4
199.18111	0.4
216.98010	0.8
218.92706	0.4
223.04059	0.5
234.99051	1.8
253.16499	0.6
269.18588	0.9
271.17636	8.1
281.08252	0.8
286.16949	0.4
288.20245	0.6
299.09338	0.5
336.13950	0.5
401.27344	0.5
425.12585	2.4
425.28732	0.7
443.13464	3.8
443.29788	82.9
444.30008	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	443.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	0.3
70.06593	2.0
71.49306	0.3
71.49688	0.2
72.08147	0.6
75.31428	0.2
83.26994	0.2
84.08147	0.4
85.02900	0.3
86.09683	0.6
89.06024	0.6
91.05457	0.3
95.12867	0.2
97.60003	0.2
103.05476	0.2
107.08595	0.3
110.06013	0.2
110.07150	0.2
115.05468	0.6
116.07056	0.2
117.06978	1.7
119.04960	0.2
132.33130	0.2
133.08548	0.3
143.07304	0.7
144.08086	100.0
145.08414	1.7
146.06009	0.7
147.04405	0.2
155.06039	0.3
159.08136	0.2
161.10744	18.3
169.13339	0.2
183.14903	0.2
211.14409	0.2
283.17484	0.5
345.25696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.0
55.01880	11.4
55.02139	4.8
55.05516	36.7
57.03444	31.5
59.04999	18.4
61.02929	45.7
65.03946	6.7
67.05505	71.3
68.23772	4.3
69.03429	41.6
69.07059	22.9
70.03172	10.8
70.06592	55.9
71.05000	8.9
72.08144	7.5
73.02922	24.7
77.03898	6.7
79.05501	100.0
81.03416	39.2
81.07052	58.8
83.04987	29.4
83.08624	16.0
84.04470	4.8
84.08165	8.0
85.02907	68.1
86.09712	13.5
87.04465	15.6
89.06021	10.8
91.03963	32.8
91.05478	73.4
92.29004	5.2
93.07050	97.3
95.04951	26.2
95.08601	48.7
97.02889	47.3
97.06529	10.8
97.10184	8.3
98.03240	7.4
98.21501	7.1
99.04467	10.0
101.02383	9.4
104.78264	5.4
105.07035	57.5
105.27144	5.4
107.04933	11.1
107.08598	27.3
109.02884	17.1
109.06506	12.0
109.10156	21.3
110.07170	6.1
111.04453	6.0
115.03922	12.1
115.05531	6.2
117.07012	20.5
118.06882	16.5
119.08583	46.5
121.06458	9.1
121.10138	17.3
123.08057	8.1
125.09622	7.2
127.03925	28.3
128.06253	9.3
129.07008	29.7
129.10202	7.4
131.08562	16.9
133.08649	5.5
133.10107	22.9
135.08119	7.6
137.06078	5.8
137.09615	6.5
143.08580	18.1
145.04967	13.1
145.06351	4.9
145.10129	25.9
147.08014	10.3
147.11688	46.5
149.09624	13.3
151.07547	16.7
159.11702	8.4
161.09682	13.0
161.13274	21.4
164.12396	5.3
165.09103	64.1
167.07077	5.6
169.10051	7.9
171.11697	50.1
176.35419	4.6
182.30133	4.7
189.12755	21.1
191.10733	7.4
205.12202	9.6
207.13760	41.3
264.23309	5.6
281.17438	63.0
287.16458	9.7
323.18439	5.4
369.23331	4.9
435.68512	5.4
443.26990	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	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01876	5.2
57.03437	13.7
58.04257	0.9
59.04996	1.7
61.02927	15.6
69.03429	26.9
69.37016	6.7
71.01357	2.8
71.04996	2.0
73.02919	64.7
81.03403	5.5
85.02906	100.0
87.04469	4.0
91.03963	4.0
97.02896	48.6
98.21559	2.0
99.04465	3.5
101.89837	1.1
103.03925	3.1
107.08601	1.2
109.02882	9.2
115.03932	25.1
123.04362	1.0
127.03922	29.3
129.34268	0.9
133.04971	32.0
133.67067	0.9
145.04961	52.8
150.07600	1.7
163.06021	17.7
165.09111	2.4
193.05013	0.9
199.06029	1.3
217.07111	1.4
223.06079	5.3
241.07036	5.2
248.37993	1.0
259.08179	5.2
293.19565	1.5
311.78970	1.0
323.29684	1.0
442.82150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01870	5.5
55.05502	14.5
57.03439	20.4
59.04995	12.5
61.02924	14.1
67.05509	16.7
69.03433	55.5
69.07080	7.6
69.41172	25.4
70.06592	12.0
71.04974	4.4
72.08170	3.8
73.02924	25.0
78.35059	3.7
79.05486	19.7
81.03403	14.9
81.07055	24.4
83.04980	7.8
84.04468	4.9
84.08126	10.4
85.02908	100.0
86.09694	8.7
87.04468	36.1
88.13741	3.3
89.06023	4.0
91.03967	7.1
91.05484	19.4
93.07049	23.0
95.04952	5.7
95.08614	10.2
97.02892	69.1
97.06535	3.7
97.10201	6.1
98.10505	3.6
99.04495	6.4
105.07041	13.8
107.04964	6.2
107.08595	10.0
109.02882	12.6
109.10190	5.4
115.03938	71.2
117.07018	4.3
117.40494	4.0
119.08603	8.3
123.08051	4.7
126.10025	4.0
127.03953	29.6
129.07005	5.7
129.10254	4.2
131.08534	5.0
133.04959	64.9
133.08615	5.2
133.10225	7.5
137.06030	3.8
143.08553	4.4
145.04968	41.1
145.06123	4.1
145.06487	3.3
147.04420	7.3
147.11697	10.5
150.07626	7.8
161.09653	6.0
163.06012	13.7
165.09137	7.1
171.11707	10.8
189.12767	4.9
196.20412	3.4
198.82504	3.8
207.13809	6.4
241.07082	4.8
259.08124	6.2
281.17560	12.9
363.12213	4.6
368.22552	4.1
384.64325	3.7
442.25848	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	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.8
57.03437	15.1
59.04982	1.9
61.02926	16.1
69.03432	36.4
69.35676	1.5
70.06565	2.6
70.62694	2.9
70.63026	1.8
71.01340	3.6
71.05033	1.4
72.62948	1.4
73.02919	73.3
76.10881	1.5
80.67838	1.5
80.72868	1.5
81.03416	7.4
85.02907	100.0
87.04474	4.2
91.03944	5.4
91.97604	1.4
97.02896	54.6
99.04454	4.8
103.03967	1.7
109.02853	9.0
115.03939	26.9
116.25362	1.5
120.09660	2.1
121.06437	1.6
123.04231	1.4
124.61799	1.5
127.03922	32.7
133.04959	32.2
145.04968	54.8
150.07639	2.5
161.73068	1.5
163.06012	17.7
223.05995	4.5
227.16275	2.6
241.07106	5.3
259.08182	4.8
293.19818	2.1
343.72806	1.8
356.22501	1.7
433.49475	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	441.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05357	2.4
53.47745	2.3
55.05515	60.3
57.03444	19.9
57.07080	56.7
59.05003	3.0
65.58057	2.4
67.05509	30.5
69.03440	21.1
69.07074	83.2
71.05010	2.8
71.08631	36.2
79.05501	13.7
81.07064	48.0
83.04969	4.6
83.08626	51.8
85.06546	54.0
85.10188	21.8
87.04494	3.4
91.05491	5.8
93.07047	29.0
95.08614	46.7
97.06553	8.5
97.10165	30.5
98.20733	5.8
99.08106	2.8
99.11758	3.5
102.22938	2.6
105.07052	7.3
107.08601	29.3
109.10157	35.9
111.08086	81.3
111.11759	11.6
112.67784	3.0
117.06989	3.0
119.08569	13.8
121.10181	22.9
123.11742	15.1
125.09621	13.7
125.13318	3.0
131.08578	3.1
133.10168	6.7
135.11700	21.0
137.13300	6.1
137.43712	3.2
139.11226	4.3
145.10199	4.9
147.11722	9.1
149.13287	14.6
151.14804	3.3
153.12790	6.4
157.87688	2.8
159.11755	5.3
161.13275	5.1
163.14865	8.6
177.16403	5.2
181.15974	4.2
183.16124	2.7
189.16463	3.0
191.18007	5.6
201.16338	3.4
203.18025	3.4
219.21303	2.8
289.98148	2.9
331.33725	4.3
349.34793	13.5
414.56696	2.6
423.38553	19.2
441.30350	4.2
441.32770	4.6
441.39465	100.0
442.39435	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	441.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66608	1.0
52.82374	1.1
53.03956	1.2
55.05513	44.9
57.03441	17.3
57.07080	48.5
67.05506	25.1
69.07069	57.9
69.36638	8.6
71.04997	1.5
71.08636	28.6
75.04469	1.5
76.34555	1.3
79.05496	7.6
81.07060	34.2
83.04988	3.6
83.08621	38.9
85.06572	2.7
85.10186	18.9
91.05493	5.2
93.07050	14.1
95.08606	34.3
95.09174	2.2
97.06521	7.3
97.10173	29.5
99.08140	1.5
99.11787	2.5
101.01795	1.1
101.06066	2.8
105.07017	5.8
107.08595	15.0
109.10162	20.5
109.10851	1.9
111.08075	5.3
111.11720	9.3
115.07590	1.4
119.08551	6.1
121.10151	19.0
123.11714	9.5
125.09656	6.7
125.13288	2.9
127.11221	2.0
128.49330	1.1
129.09140	3.1
133.10117	8.2
135.11699	18.0
137.09610	1.4
137.13275	4.3
139.11198	5.5
139.14865	1.3
143.08633	1.1
143.10670	1.7
145.10156	2.4
147.11722	6.1
149.13252	9.9
151.14903	1.9
153.12790	3.6
157.12270	1.8
159.11722	2.6
161.13312	3.9
163.14818	7.4
163.36349	1.3
167.14328	2.5
171.13863	1.9
173.13307	2.2
175.14848	2.2
177.16432	5.0
181.12358	1.2
181.15904	2.7
185.15405	1.3
187.14877	2.5
189.16435	1.4
191.17975	2.8
195.17535	4.2
201.16374	1.7
203.17978	2.5
205.19672	1.8
209.18976	1.8
215.17996	1.8
217.19504	2.0
219.21135	2.0
223.20674	1.9
247.24356	1.3
259.24237	1.3
285.25391	1.2
331.33704	5.0
349.34650	14.8
418.89169	1.2
423.38489	15.5
441.39474	100.0
442.39676	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	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05521	21.8
55.78104	2.6
56.19616	2.5
57.03445	4.6
57.07079	21.0
60.65483	2.8
67.05239	3.2
67.05508	34.2
69.03421	3.4
69.07073	38.0
69.21762	16.9
69.22186	12.5
71.08624	12.8
79.05499	21.0
81.07057	70.4
83.04974	8.1
83.08614	14.0
84.00661	3.1
85.05019	3.1
85.06543	9.2
85.10192	10.6
89.06039	20.3
91.05468	15.8
93.07049	43.0
95.04962	6.8
95.08612	100.0
97.06526	7.3
97.10165	10.5
98.23975	3.7
99.08117	5.8
102.14397	3.1
105.07047	36.9
107.08597	68.1
109.06495	5.0
109.10162	99.2
111.08075	4.9
111.11730	4.0
117.07009	4.6
119.08578	43.1
121.09351	4.6
121.10155	57.6
123.08068	8.6
123.11701	37.0
125.09620	14.4
127.11202	3.1
131.08556	5.5
133.08591	14.0
133.10118	35.5
135.11711	36.5
137.13214	14.4
139.11214	4.8
143.08549	3.6
145.10126	25.0
147.11674	30.3
149.13266	22.2
151.11113	3.7
151.14818	4.8
157.10168	4.9
159.11687	27.9
161.13249	28.7
163.11122	4.1
163.14799	16.5
165.12761	3.8
171.11705	5.4
173.13260	20.8
175.14822	14.9
176.23187	2.9
177.11299	5.7
177.16386	11.4
185.13272	7.3
187.14812	12.8
189.16444	17.5
191.17934	15.7
199.14874	6.2
201.16383	13.5
203.17946	16.3
205.15858	5.3
205.19466	5.1
211.14813	4.9
213.16388	3.3
215.17961	9.6
217.19490	16.4
219.17476	4.0
229.19533	5.2
231.20943	4.1
241.19550	4.5
243.20807	3.6
245.18817	3.3
255.21170	4.2
263.19949	3.1
289.21701	4.7
297.25568	4.1
315.23273	4.3
315.26694	4.1
329.24710	8.0
343.39185	3.1
367.33630	10.1
423.36298	19.4
441.37518	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	441.3727
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03943	6.4
55.05285	3.2
55.05511	29.7
55.88111	3.4
57.01994	3.9
57.07054	11.5
65.03918	4.9
67.05504	53.2
69.03410	11.9
69.07068	56.5
70.80286	5.6
70.80605	6.7
71.04996	19.4
79.05495	33.8
81.07055	93.5
83.04967	11.4
83.08620	19.3
85.06541	26.5
91.05478	27.2
93.07047	59.6
95.04948	4.3
95.08612	88.5
97.06523	16.0
97.10161	11.2
99.08076	11.5
105.07034	48.1
107.08585	84.6
109.06535	5.2
109.10162	100.0
111.08051	11.3
113.09631	8.0
117.07008	7.2
119.08575	60.6
121.10151	59.7
123.08038	8.8
123.11721	34.1
125.09639	17.3
127.11162	12.3
131.08546	17.1
133.10129	46.0
135.11685	39.4
137.09613	8.6
137.13225	8.5
139.11205	20.9
143.08606	9.2
145.10136	34.9
147.11673	36.4
149.09624	8.7
149.13240	30.1
151.11206	6.8
153.12744	4.6
157.10132	17.2
159.11708	33.9
161.13257	34.4
163.11243	6.5
163.14812	13.1
165.09123	14.2
165.12733	8.1
167.14400	5.4
169.10081	6.4
171.11662	12.8
173.13289	25.3
175.14830	32.2
177.12833	6.1
177.16362	10.2
179.14345	5.3
183.11688	6.5
185.13242	16.4
187.14786	21.3
189.16429	20.7
191.14339	8.9
191.17924	14.8
193.15897	15.0
197.13281	5.1
201.16379	16.4
203.17978	9.4
205.15845	4.9
207.17476	4.3
211.14714	5.2
213.16307	10.9
215.17973	10.9
217.15889	3.7
217.19574	5.3
227.18016	8.6
229.19540	7.9
231.17450	4.4
231.20963	8.8
239.17946	5.1
241.19475	4.9
245.18954	13.6
247.20477	5.2
249.22189	5.4
257.22781	4.2
273.22232	4.1
297.25690	9.7
299.23520	4.5
301.25034	4.7
313.25580	4.0
315.26996	4.5
349.21088	4.4
355.29886	5.8
381.31512	4.7
423.36227	35.4
441.37564	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05513	18.1
57.07082	6.2
65.03941	3.3
67.05509	38.9
69.07069	37.5
71.50560	4.5
72.14493	3.3
79.05478	14.0
81.06588	5.4
81.07056	65.8
83.08611	12.3
85.06556	3.5
91.05461	16.1
93.07056	39.5
95.04964	4.0
95.08612	100.0
97.06565	3.3
97.10152	7.3
97.72620	2.5
105.07036	34.7
107.08601	65.3
109.06509	4.0
109.10163	95.8
110.10479	3.2
111.08060	3.9
111.11730	6.6
117.06999	4.6
119.08588	48.6
120.57962	2.8
121.06523	3.2
121.10152	66.7
123.08047	3.9
123.11707	39.7
131.08589	9.9
133.10147	34.9
135.08040	3.9
135.11688	33.1
137.09650	4.7
137.13261	19.2
143.08560	4.9
145.10118	12.9
147.11700	28.0
149.09586	6.4
149.13290	20.8
151.11189	5.4
157.10146	9.4
159.11682	15.1
161.09628	3.7
161.13242	31.6
163.11174	3.2
163.14847	11.9
165.09129	8.7
169.10117	4.0
169.42896	3.3
171.11681	5.3
173.13255	11.0
173.61307	2.6
175.14833	16.4
177.12743	3.6
177.16399	20.0
185.13155	3.3
187.14845	11.9
189.16383	11.3
191.17935	19.8
193.19620	3.7
199.14864	2.8
201.16397	10.8
203.17982	19.2
205.15845	20.3
205.19537	14.7
207.17557	2.9
213.16518	5.5
215.18002	7.8
217.19487	17.9
223.16986	8.6
227.17915	4.9
229.19444	3.8
231.17426	6.6
231.21078	8.6
245.18958	4.5
245.22713	8.7
249.18469	5.0
254.80026	2.8
259.24490	5.4
269.22589	3.7
271.24088	5.4
285.25800	3.4
405.35608	3.9
423.36139	21.6
441.37515	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	441.3729
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.84094	2.5
55.05511	18.1
57.07056	8.0
61.68439	2.5
67.05517	28.5
69.07072	37.2
69.98972	12.0
70.01852	2.6
71.04969	5.5
71.08607	3.7
73.11917	2.5
79.05491	14.7
81.07056	50.5
83.08627	14.6
85.06551	23.7
91.05457	10.9
93.07044	37.8
95.08611	100.0
97.06541	5.9
97.10159	8.9
102.40650	3.0
105.07036	22.3
106.63232	2.4
107.08591	47.0
109.10159	75.1
111.08081	13.7
111.11717	12.8
117.61171	2.3
119.08567	26.0
121.10152	48.9
123.08057	36.3
123.11687	29.1
131.08556	7.1
133.10121	25.2
135.11700	28.3
137.09511	4.1
137.13232	11.9
142.07681	3.6
145.10135	12.7
147.11702	20.0
149.13254	24.0
151.11172	8.6
151.14845	3.0
157.10223	6.3
159.11697	12.5
161.13234	17.3
163.11160	5.0
163.14798	14.1
165.12778	4.2
167.10614	15.0
171.11696	7.0
172.56787	2.4
173.13211	10.3
175.11150	3.4
175.14810	9.4
177.12720	4.7
177.16371	12.5
179.14346	6.5
187.14848	5.1
189.16399	7.1
191.14368	12.0
191.17975	18.9
199.14893	4.9
201.16353	7.9
203.14371	3.8
203.17929	9.0
205.15823	3.6
205.19543	16.7
213.16374	3.0
215.17984	5.0
217.19499	6.1
219.17384	3.0
219.21014	3.2
223.16908	5.1
228.14339	2.6
229.19525	4.5
231.21037	3.6
235.16989	5.4
243.20923	2.8
245.19225	3.0
263.19974	3.9
308.70648	2.6
349.35068	2.6
353.32004	5.2
369.31570	22.2
423.36151	17.4
426.27072	3.2
441.29608	8.3
441.37192	56.0
453.78906	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	441.3727
Annotation	Polasterol A
Peak:m/z	Relative Intensity
55.05512	12.8
57.03445	2.7
57.07082	11.7
57.56665	2.3
63.58090	2.0
65.03949	3.3
67.05503	32.9
69.07069	29.9
70.89520	3.8
71.04958	3.1
71.08613	7.6
79.05496	17.3
81.07061	56.5
83.08634	11.6
85.06528	5.8
85.10184	4.4
91.05478	14.1
93.07040	34.3
93.51935	1.8
95.08607	70.4
96.08860	2.5
96.45207	2.1
97.06500	3.1
97.10178	7.6
105.07041	28.3
107.08604	59.4
109.06451	2.3
109.10161	100.0
111.08130	3.1
111.11753	3.4
119.08583	28.9
121.10153	47.1
123.08070	3.1
123.11716	28.8
125.13251	2.1
125.35145	2.1
131.08542	7.5
133.10135	25.4
135.11702	31.7
137.13258	17.7
139.11159	4.7
143.08524	3.7
145.10141	10.1
147.11667	23.7
149.13252	21.9
151.11131	4.0
151.14842	6.5
157.10150	4.6
159.11707	14.2
161.09552	2.6
161.13239	16.9
161.62663	2.2
163.14828	13.3
165.16397	4.4
171.11761	4.3
173.13245	11.4
175.11171	2.5
175.14818	14.2
177.12729	5.5
177.16403	8.7
179.10683	2.2
179.18022	3.3
185.13217	5.2
187.14832	6.4
189.12703	2.5
189.16377	7.2
191.17950	2.6
193.15778	2.2
193.19530	4.5
199.14832	2.8
201.16437	7.0
203.14232	2.7
203.18040	11.5
203.19673	2.2
205.19582	5.7
213.16397	2.6
215.17992	3.6
217.19525	7.9
219.21092	10.9
221.15424	2.4
229.19507	4.4
231.21036	2.5
233.22464	2.4
245.22537	2.3
247.24207	2.9
257.22607	3.0
259.24432	3.0
261.25888	2.7
273.25739	3.8
297.22177	3.7
311.23669	2.3
315.23105	7.2
329.24762	12.9
367.33578	3.3
371.29080	3.0
385.30750	2.5
405.35025	2.3
423.36081	7.6
441.37418	62.4
442.37210	3.8
452.72751	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	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05514	21.3
57.07072	15.7
67.05505	29.8
69.07073	45.7
70.68482	10.8
71.08640	4.3
73.44701	3.0
78.59135	3.4
79.05484	13.6
81.07061	54.4
83.08619	24.7
87.04448	3.2
91.05474	13.2
93.07056	39.6
95.07997	5.1
95.08610	100.0
97.10171	16.2
99.04457	3.8
105.07027	18.6
107.08598	59.0
109.10154	87.6
111.11707	5.5
119.08586	27.9
121.10141	55.0
123.08042	4.8
123.11684	32.4
128.59547	3.3
131.08524	8.8
133.10118	27.7
135.08124	3.4
135.11684	37.3
136.59540	3.9
137.13286	16.9
143.10680	6.5
145.10103	6.7
147.11690	22.0
149.09631	5.6
149.13257	23.0
153.09058	8.0
157.10114	4.0
159.11661	8.5
161.13271	18.3
163.11279	3.8
163.14876	15.8
167.10658	20.1
173.13170	4.4
175.14822	13.7
177.16409	8.1
185.26314	3.5
189.16342	10.2
191.17960	17.0
195.13846	5.0
201.16428	5.6
203.17923	22.0
205.19513	26.7
209.15315	8.4
215.17976	8.0
217.19525	28.6
223.16992	6.9
231.21098	9.9
237.18442	4.5
245.22632	15.5
249.18459	9.7
299.27328	4.9
371.29276	4.9
423.36227	4.2
441.31674	4.8
441.37393	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	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05512	17.4
57.03426	12.1
57.07071	5.4
66.85540	3.9
67.05507	33.6
68.59492	3.4
69.03423	9.3
69.07074	31.4
69.85217	15.8
71.05004	5.7
75.62442	3.3
79.05500	25.2
81.07057	59.2
83.04963	4.7
83.08617	14.0
85.06532	3.7
91.05478	13.5
93.07045	56.7
94.53349	4.0
95.07996	5.6
95.08607	100.0
97.06528	9.8
97.10159	7.8
105.07029	30.9
107.08594	87.8
109.06553	4.9
109.10160	60.7
111.08074	8.0
119.08595	50.9
121.10136	51.6
123.08062	5.2
123.11720	32.8
123.57422	3.5
125.09608	12.0
127.11172	4.3
131.08572	14.9
133.10132	41.9
135.08037	7.3
135.11681	49.8
137.13245	12.2
143.08530	4.0
144.09253	3.9
145.10107	27.9
147.11703	36.8
149.09612	21.3
149.13283	26.9
151.14796	4.5
157.10120	5.1
158.09625	3.8
159.11697	33.0
161.13251	22.2
163.11185	4.7
163.14844	13.6
165.09061	6.5
171.11668	7.0
173.13283	13.2
175.14848	13.7
177.16377	9.9
185.13287	5.7
187.14803	16.0
189.16360	16.7
191.17931	14.8
199.14734	4.9
201.16373	25.3
203.14221	4.5
203.17938	13.0
205.19533	5.2
215.17941	9.9
217.16023	5.0
217.19528	10.0
231.17386	6.2
281.34772	3.5
323.94720	3.5
423.36334	27.3
441.37430	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	441.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
54.79436	2.8
55.01888	3.9
55.05512	14.7
57.03460	6.5
58.28935	2.9
59.04993	4.2
66.33578	3.1
67.05502	24.1
68.99794	4.5
69.03431	31.5
69.07066	13.2
69.51084	21.8
70.06596	16.0
71.05002	10.5
72.08159	4.3
79.05481	9.1
81.03419	37.8
81.07065	41.9
83.04987	12.0
83.08618	10.5
84.08167	7.0
85.02905	25.5
85.06552	4.8
86.09715	20.2
87.00822	3.9
91.05490	13.7
93.07056	19.5
95.05007	3.2
95.08604	38.7
97.02905	10.2
97.06559	3.8
99.04461	11.8
99.08102	5.1
103.73775	2.9
105.01888	3.2
105.07030	12.2
107.04958	3.7
107.08600	30.4
109.02898	33.4
109.06528	7.8
109.10159	99.8
110.07179	3.9
111.04454	3.1
111.08094	4.2
119.08588	50.1
120.08112	8.8
121.10155	15.7
123.04410	7.1
123.08056	16.4
123.11718	8.4
125.00018	3.6
127.03925	64.3
133.10120	24.8
135.08107	3.9
135.11690	100.0
136.07521	3.5
137.09636	18.4
139.03917	6.8
139.11118	4.4
143.08565	3.5
145.10121	7.6
147.11646	9.0
149.09616	3.6
149.13261	12.3
151.03870	5.7
151.07506	8.5
151.11229	6.1
151.14827	8.0
159.11693	5.5
161.13263	3.9
165.09091	20.3
173.13298	6.0
175.14832	35.0
183.34691	3.3
184.07376	5.7
187.06029	9.6
193.15891	65.2
205.12292	3.2
211.16946	38.9
213.03922	31.3
215.14359	3.1
228.29771	3.0
301.17993	7.9
319.18835	5.2
397.18286	10.2
423.20099	4.2
441.16464	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
54.79530	1.8
55.01873	8.4
55.05508	13.4
57.03439	18.7
59.09259	1.9
61.02929	15.3
67.05501	5.5
69.03429	36.5
69.07067	57.5
70.06580	6.9
71.01340	3.9
71.04979	3.6
71.29842	3.2
72.08146	2.0
73.02914	79.7
79.05499	6.4
81.03431	10.1
81.07042	8.1
83.04973	2.2
83.08604	2.9
84.04478	2.0
84.08144	4.4
85.02904	100.0
86.09699	13.1
87.04465	6.6
91.03947	3.9
91.05482	6.3
93.07032	3.3
95.04952	2.9
95.08598	3.4
97.02895	62.8
97.06512	2.0
98.29586	1.7
99.04454	4.7
103.03940	3.8
104.10748	2.3
105.07024	4.7
107.08611	3.3
109.02884	10.7
109.10130	3.1
111.11717	17.8
115.03944	30.4
116.07106	2.4
119.08566	3.7
120.08114	4.8
121.06557	2.1
121.10129	2.7
122.06039	2.4
123.04437	2.8
125.00011	2.9
127.03918	30.9
131.08556	1.9
133.04958	34.2
133.10127	2.3
145.04958	42.0
147.11757	2.7
150.07622	2.5
159.10138	1.7
163.06006	14.5
165.09016	1.8
182.15416	2.1
184.07370	13.2
193.04866	2.9
207.13872	2.0
211.75027	1.9
223.06032	7.2
225.14894	3.5
237.14890	1.9
241.07016	11.2
259.08163	11.0
266.13828	1.7
267.55637	1.9
288.22299	2.0
295.10251	3.7
440.23062	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96793	1.2
57.07077	56.6
59.05006	17.1
62.67488	1.5
68.24795	1.4
68.49434	1.3
69.07060	4.6
69.54441	1.2
69.57227	2.9
69.57632	5.8
71.08635	100.0
72.07452	1.2
72.08941	1.8
79.05466	1.2
81.07052	1.8
85.10188	55.9
87.04459	2.8
87.47980	1.2
89.06031	58.1
93.07066	1.9
95.08617	3.1
98.21318	3.7
100.94529	1.6
103.07576	5.1
109.10183	2.4
127.14858	8.1
133.08609	56.7
164.09671	1.4
177.11256	11.1
185.19058	12.3
195.12347	1.8
221.13855	5.4
229.21625	4.8
239.14868	25.6
244.95912	1.5
279.18018	2.9
283.17441	6.5
326.50641	1.4
341.26627	1.5
422.51492	1.2
423.33313	7.6
440.35910	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	441.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
54.26426	0.9
57.03414	1.1
61.02914	0.9
69.03424	3.1
69.75637	2.7
69.76040	1.8
70.06592	64.4
71.04977	1.5
76.65188	0.9
81.03405	3.1
84.04481	0.8
84.08134	1.4
85.02908	9.1
86.09698	2.0
86.85757	0.9
87.04443	0.8
91.05482	30.3
97.02888	5.1
98.00863	1.0
98.06119	1.0
98.21526	1.1
98.97561	3.7
99.04441	1.2
107.04938	2.3
108.95892	1.1
109.02856	2.0
109.06550	0.9
110.07178	1.2
114.05527	6.6
116.07092	99.5
116.98632	1.1
118.06531	1.2
119.04938	19.7
121.06497	4.6
123.04440	2.0
127.03914	2.1
131.02853	1.0
132.95801	2.0
136.07579	100.0
143.03432	1.1
144.06505	1.2
145.04883	1.3
147.04362	6.5
150.05478	4.4
151.05875	1.0
158.97357	2.4
162.96841	1.6
170.99828	0.9
176.98552	1.1
177.00644	0.9
178.08623	3.5
188.98459	1.1
189.04303	1.4
204.39442	1.0
219.01797	1.5
234.11208	1.6
234.99026	1.6
245.04709	1.0
262.10727	7.7
264.17950	1.0
265.03561	1.3
267.01627	1.5
279.13391	55.8
287.46875	0.9
292.10394	1.1
298.12808	7.9
309.02448	1.1
309.08691	0.9
321.14340	2.7
335.04166	2.8
441.09451	2.9
441.18561	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	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	7.2
55.05495	1.6
57.03435	15.0
59.04986	1.9
61.02929	12.5
63.77824	1.3
69.03431	33.3
69.07064	9.1
69.20113	1.2
70.06572	8.2
70.80437	3.5
71.01354	3.1
71.04990	2.7
72.08157	1.3
73.02917	64.0
79.05520	1.4
81.03401	7.1
81.07051	1.3
84.04514	1.8
84.08123	3.9
85.02905	100.0
86.09698	5.2
87.04471	5.0
91.03955	3.4
91.05480	1.7
93.07065	1.5
97.02891	47.0
98.20831	1.2
99.04440	5.2
103.03918	2.5
105.07034	1.9
109.02884	9.7
110.07168	2.2
111.11729	10.3
115.03934	21.6
119.04906	1.7
119.17642	1.2
120.08118	4.1
123.04412	2.9
127.03914	28.5
129.10214	2.7
133.04958	38.5
136.07587	1.6
145.04958	50.9
147.04420	1.6
150.05553	1.5
163.06018	29.1
167.07065	2.1
192.06297	1.4
193.05002	1.7
199.06020	1.6
217.07034	2.0
223.06010	4.8
241.07057	7.5
243.15884	1.9
248.39796	1.2
259.08182	10.4
277.09207	2.9
291.17990	7.4
295.10184	4.1
440.18878	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03954	3.2
55.05510	16.0
57.07065	6.2
59.04995	2.8
65.03947	2.4
66.69743	1.7
67.05507	32.4
69.03421	7.4
69.07064	18.5
69.73087	8.2
69.73499	2.8
71.05008	4.0
77.94314	1.8
79.05491	19.1
81.03406	1.9
81.07059	41.8
83.04981	7.0
83.08623	9.4
85.06529	5.5
86.09698	2.2
91.05473	21.9
93.07055	38.6
95.04993	5.1
95.08611	54.0
97.06513	3.4
97.10178	7.8
98.21487	3.8
105.07030	37.9
107.08601	51.1
109.06501	3.2
109.10165	48.0
111.08084	7.4
113.09679	2.0
117.07028	7.8
119.08589	41.8
121.10152	33.9
123.08090	5.5
123.11707	13.5
125.09633	9.7
127.11186	3.6
128.06213	2.5
129.07018	7.5
131.08592	18.2
133.10133	35.3
135.08055	3.2
135.11681	27.6
137.09636	4.3
137.13315	2.6
139.11153	2.3
143.08528	9.7
144.09323	2.5
145.10124	29.2
147.11682	26.4
149.09639	6.6
149.13248	14.7
150.07790	2.0
151.11205	8.5
155.08586	3.9
156.09419	2.8
157.10103	10.3
159.11725	24.1
160.12413	2.0
161.13280	22.4
163.11205	5.5
163.14861	8.1
165.12749	3.2
169.10168	5.3
171.11684	12.4
173.13266	22.1
175.11157	3.2
175.14868	14.7
177.12752	3.5
177.16423	5.7
179.14287	2.8
181.10214	2.4
183.11725	2.8
184.07397	1.9
185.13280	11.2
187.14815	22.2
189.12808	3.5
189.16408	11.5
191.17950	4.5
193.12299	2.5
193.15916	3.6
197.13313	6.0
199.14825	11.1
201.16409	15.1
203.18004	9.0
205.15860	5.4
207.17480	3.8
211.14908	3.3
213.16382	13.0
215.17989	8.0
217.15924	3.2
217.19522	2.6
223.14799	2.1
225.16335	3.3
227.17940	9.1
229.19554	6.1
231.17403	3.1
233.19104	2.3
237.16234	2.1
239.18040	3.5
241.19492	6.3
243.21210	2.0
245.19078	5.9
253.19653	4.4
255.21106	2.8
259.20566	2.9
279.20993	3.5
281.22766	3.1
283.24240	2.4
295.24240	2.8
297.25974	5.1
299.23947	2.4
309.25708	2.2
313.25308	4.6
315.27057	3.3
321.25778	2.4
325.25299	2.9
335.27444	2.5
339.26917	6.7
347.27060	2.4
357.27878	2.6
367.17709	2.2
372.81140	2.4
403.33594	4.5
421.34702	29.7
439.35794	100.0
440.36069	3.3
452.37537	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	440.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98873	0.2
53.03956	0.4
57.01709	0.2
59.75803	0.2
65.03945	0.3
65.31408	0.2
67.05510	2.8
69.84412	1.3
69.84695	0.3
79.05531	0.4
84.08186	0.3
88.94075	0.3
94.06573	9.8
102.09432	0.3
106.06559	3.1
109.71560	0.2
110.06039	0.3
122.06030	7.2
123.04407	0.3
138.05492	0.9
139.03917	0.9
143.65302	0.3
147.04478	0.3
150.05510	100.0
151.05870	1.2
160.07565	0.7
168.06557	1.3
174.05533	0.5
214.08989	0.3
230.43669	0.3
270.07669	0.4
288.08679	5.1
362.39746	0.3
440.13507	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	440.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47953	0.2
53.03941	0.5
53.90597	0.2
65.03925	0.4
67.05501	2.7
69.82941	0.2
71.38366	0.3
79.05494	0.4
82.16142	0.2
94.06565	10.8
95.04891	0.2
106.06551	3.7
110.06045	0.3
116.46706	0.2
122.06026	7.4
123.04414	0.3
138.05502	0.8
139.03932	1.2
147.04475	0.3
150.05496	100.0
151.05859	1.3
160.07591	0.6
162.05450	0.3
168.06566	1.6
174.05490	0.4
208.10597	0.2
242.08133	0.5
270.07651	0.7
288.08636	4.1
440.13275	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03949	3.8
55.05513	15.2
57.03442	3.6
57.07071	6.2
58.32652	2.4
60.97355	2.1
67.05512	39.9
69.03436	3.6
69.07069	33.4
70.74781	7.4
79.05486	20.3
81.07056	57.6
83.04987	4.7
83.08627	7.8
85.06544	4.6
91.05478	19.2
93.07041	43.7
93.12999	2.6
95.08608	57.0
97.06512	5.4
97.10170	3.6
98.21011	4.3
105.07035	35.4
107.08600	57.0
109.06538	3.4
109.10158	85.1
111.08090	9.4
111.11717	3.2
117.07049	5.4
119.08591	41.5
121.10140	50.5
123.08081	3.5
123.11716	20.2
125.09653	10.3
127.11180	4.0
129.07036	4.2
131.08582	14.7
133.10139	43.0
135.08087	5.7
135.11690	29.9
137.09644	5.9
137.13295	5.1
139.11203	4.0
143.08569	8.5
145.10117	28.8
147.11693	36.1
149.09642	5.0
149.13255	15.7
151.11240	2.8
151.14888	2.5
157.10184	9.9
159.11696	26.5
161.13240	32.1
163.11209	6.7
163.14854	8.0
165.09123	3.9
165.12779	3.4
169.10136	5.1
171.11696	11.0
173.13283	20.8
175.11212	5.0
175.14896	12.1
177.16444	6.7
179.14365	9.4
181.15916	3.4
183.11679	4.0
185.13324	12.0
187.14803	15.7
189.12788	3.0
189.16405	16.3
191.14334	8.4
191.17999	7.8
193.15854	3.4
197.13336	3.0
199.14867	11.7
201.16400	16.2
203.14313	4.4
203.17990	13.0
205.15851	3.4
207.13864	2.6
207.17569	4.8
209.13278	3.6
211.14847	5.3
212.15352	2.8
213.16431	9.8
215.17935	14.1
217.15939	8.1
217.19580	9.3
223.14862	3.3
225.16469	7.5
227.17876	5.0
229.19498	7.8
239.18149	2.7
241.19595	5.2
243.17393	4.3
243.21066	3.2
253.19543	2.9
255.21159	3.9
257.22659	4.3
261.18582	6.3
269.22873	3.3
271.20657	3.0
281.22696	5.1
295.24387	4.8
297.22116	4.6
299.23785	7.1
311.23529	3.4
313.25244	5.1
327.26935	4.0
329.24875	4.7
339.27008	3.2
357.27856	19.2
365.28506	5.2
383.29672	6.7
393.35666	4.2
403.33710	3.0
409.34842	4.8
421.34674	34.1
439.35800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.28828	2.8
55.05495	11.4
57.07064	6.3
67.05190	2.9
67.05505	38.8
69.07069	38.6
69.48948	22.2
79.05489	17.8
81.07055	59.3
83.08619	15.8
85.02935	3.7
85.06487	3.1
91.05465	14.9
93.07051	35.7
95.07988	4.4
95.08601	66.8
97.06472	4.2
97.10168	7.0
98.20802	5.4
105.07014	18.6
107.07899	3.8
107.08595	57.3
109.06464	3.7
109.10160	100.0
111.08052	6.9
111.11671	3.8
115.70014	2.7
117.06962	3.4
119.08561	33.1
121.06512	3.0
121.10146	40.8
123.08068	4.6
123.11703	28.2
125.09617	3.6
131.08566	10.0
133.10135	21.6
135.11705	27.0
136.92430	3.2
137.09616	7.9
137.13249	13.2
143.08553	5.6
145.10141	18.1
147.11693	28.0
149.09637	4.9
149.13254	22.9
151.14789	5.2
157.10162	13.6
159.11729	21.6
161.09584	3.4
161.13223	16.5
163.14789	7.4
169.10013	3.7
171.11687	9.5
173.13333	15.1
175.14799	11.5
177.12798	3.1
177.16368	14.0
183.11681	3.8
185.13264	7.2
187.14803	9.6
189.12775	4.3
189.16347	8.0
191.17827	4.4
197.13321	4.4
199.14822	6.9
201.16400	6.7
203.18011	5.8
209.13156	2.9
213.16374	3.8
215.17915	5.2
217.12320	3.6
217.15938	6.5
217.19496	7.7
223.21228	2.8
225.16330	4.7
227.17906	6.9
227.77129	2.9
229.15904	5.6
230.68002	3.3
235.16998	4.0
241.19435	3.3
243.17419	5.3
255.17342	3.5
261.18497	12.5
271.20450	3.4
287.20068	5.0
315.23120	6.3
323.27249	4.2
339.26758	3.2
421.34647	12.7
439.36041	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05272	2.8
55.05505	18.6
57.07088	15.4
58.31897	3.3
59.04991	3.5
67.05509	37.0
69.06731	5.3
69.07072	68.1
69.99619	11.3
71.04999	4.8
76.01416	3.4
79.05488	19.3
81.07056	68.1
83.04949	5.7
83.08630	18.1
85.06542	3.6
89.06023	5.8
91.05482	18.1
93.07043	41.7
95.07989	4.1
95.08610	78.7
97.10134	5.8
105.07043	33.2
107.08598	60.2
109.10155	100.0
111.08070	4.8
111.11726	5.9
117.06989	8.1
119.08591	48.8
121.06481	3.6
121.10153	56.6
123.08067	3.5
123.11721	22.4
125.09625	5.7
125.68958	2.9
130.07802	3.6
131.08591	15.9
133.10130	44.6
135.08087	3.9
135.11702	30.0
137.13240	12.5
142.98549	3.4
143.08554	10.9
145.10115	35.1
147.11671	34.9
149.09584	7.6
149.13231	17.7
151.11131	4.8
151.14832	10.5
153.38818	3.0
157.10168	19.3
159.11679	44.8
161.13232	27.0
163.11153	6.3
163.14804	12.7
169.10101	8.4
171.11699	17.6
173.13283	25.3
175.11192	5.7
175.14832	44.7
177.16411	8.5
183.11722	10.1
185.13303	17.3
187.11122	4.3
187.14833	19.2
189.12691	5.4
189.16383	14.3
191.14343	7.6
191.17992	9.1
197.13266	11.3
199.14822	17.3
201.12773	6.2
201.16371	8.6
203.14305	22.9
203.17924	10.3
211.14821	9.5
213.16435	7.2
215.14294	6.9
215.17934	12.3
217.15845	7.3
217.19473	19.6
219.13809	3.6
219.21065	6.1
221.15341	9.6
223.14952	3.4
225.16336	7.5
227.14342	3.5
227.17929	6.0
229.19495	6.7
233.15483	4.0
239.18076	6.8
241.19531	8.5
243.17487	7.2
243.21088	3.6
251.17847	6.2
253.19554	4.0
255.17290	4.3
255.20975	3.4
257.19003	4.1
261.18478	8.8
267.17383	4.0
267.20993	5.5
269.18948	4.4
277.19629	7.5
281.22644	3.7
283.20621	3.7
283.24142	6.1
293.22647	4.5
295.20590	8.7
297.22137	6.1
300.61234	3.2
310.22992	5.0
311.23804	6.5
311.27310	5.4
329.24619	4.0
335.77444	3.5
357.27777	5.5
393.31210	10.4
393.35678	21.5
403.33432	8.7
411.36160	5.9
421.34677	96.9
428.69257	3.2
439.35721	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05506	20.9
59.04993	5.2
64.46651	4.6
65.64413	4.4
67.05510	36.6
69.07071	50.5
69.81432	7.3
69.81712	25.1
71.04980	4.4
79.05498	22.4
81.06651	6.3
81.07062	63.6
83.08624	21.0
88.23872	4.3
88.40071	4.4
91.05499	20.5
93.07042	54.7
95.04975	5.4
95.08611	89.1
95.70079	4.5
96.25443	4.0
97.06517	8.7
97.10225	6.4
105.07036	52.3
107.08598	82.8
109.06467	7.6
109.10161	76.9
109.27637	4.3
111.08086	7.0
117.06998	6.2
119.08588	84.7
121.10156	54.2
123.11723	28.2
125.09660	7.0
131.08531	22.0
133.10135	56.2
135.08081	5.5
135.11665	40.6
137.09616	17.9
137.13275	12.8
140.74390	4.4
142.07764	5.9
143.08551	12.2
145.10120	31.3
147.11693	59.4
149.09683	5.2
149.13275	23.5
151.14870	5.8
156.09323	4.4
157.10161	15.4
159.11705	37.4
161.09589	6.1
161.13268	32.8
163.11188	8.2
163.14830	11.1
165.09122	11.9
165.16414	4.3
171.11703	17.4
173.13313	18.9
175.14848	20.7
177.16519	8.9
185.13257	14.6
187.11246	5.8
187.14807	13.7
189.12801	4.7
189.16428	42.6
191.17993	22.1
199.14818	19.8
201.16386	17.2
203.14281	11.5
203.17944	28.0
205.15877	6.1
205.19569	9.9
211.14838	6.9
213.16356	6.5
215.18028	8.4
217.15938	28.7
217.19577	20.9
221.15392	11.2
225.16380	9.8
227.18083	6.7
229.19601	4.4
235.16850	27.6
241.15782	3.9
245.19046	7.4
257.18994	4.4
261.18484	5.8
289.21365	5.6
295.11472	4.9
297.21942	5.0
302.35901	4.3
302.40341	5.0
311.23666	12.6
329.24667	23.2
358.45898	4.9
393.35602	5.8
400.39316	5.1
421.34735	44.7
439.35876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50183	0.8
53.03951	1.0
54.64765	0.9
55.01854	1.0
55.05509	3.0
56.91631	0.9
60.99989	0.8
67.05511	4.5
69.03426	6.7
69.07059	2.7
70.06593	2.7
71.05001	1.0
71.50059	0.9
72.08139	1.7
79.05493	6.4
81.03417	2.0
81.07063	4.6
83.04982	3.7
83.08617	1.0
84.08140	2.7
85.02889	2.6
86.09692	1.8
87.00818	0.9
91.05482	7.1
93.07043	5.5
95.04950	3.8
95.08604	3.2
97.02905	1.6
97.06513	1.0
97.59814	0.7
99.04405	0.9
105.07035	9.5
107.04950	4.9
107.08588	18.4
109.02855	2.0
109.06528	1.9
109.10163	9.1
111.04447	1.3
115.05416	0.8
117.07007	2.2
119.08565	3.4
120.08086	0.7
121.06490	2.4
121.10139	12.9
121.10961	1.4
122.07289	6.1
123.04440	1.5
123.08073	1.6
125.06034	1.1
127.03916	3.9
129.10268	1.0
131.08583	2.8
131.60934	0.8
133.10130	100.0
134.10449	0.9
135.08026	7.1
135.11659	1.7
137.09613	53.6
139.13974	0.7
142.24661	0.8
145.10135	1.5
147.11713	3.0
149.09607	6.6
149.13260	8.0
151.11195	1.3
157.10075	1.0
159.11703	1.8
161.13205	0.9
163.14822	1.4
165.08942	0.8
173.13271	6.0
175.11226	1.1
175.14725	1.0
185.13290	0.9
189.12932	1.5
191.14304	36.0
203.14349	0.8
207.13901	1.0
213.03972	0.9
213.12831	0.9
335.18484	1.3
403.17450	0.9
421.18097	1.0
439.19360	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	439.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16802	1.2
53.33751	1.5
55.05504	4.2
57.03446	1.8
57.07077	100.0
57.59376	1.4
59.05001	31.5
67.05509	2.7
69.07056	5.9
71.08633	85.5
71.84382	1.6
79.05519	1.4
79.69260	1.5
80.03889	1.3
80.70086	1.4
81.07043	5.9
83.08617	4.0
85.06576	1.9
85.10182	64.1
87.04491	2.8
89.06033	7.2
90.01910	6.7
90.06373	1.9
90.32017	1.4
91.05482	1.9
93.07033	4.2
95.08624	7.6
97.10163	4.8
98.21520	4.1
99.11723	14.0
101.09696	1.3
105.07006	2.2
107.08585	6.2
109.10152	3.8
113.13326	2.0
117.09151	7.0
119.08543	4.7
121.10133	4.1
123.11684	1.8
133.08592	1.9
133.10156	3.9
135.11739	2.3
135.22168	1.3
145.10136	2.0
147.11665	1.6
149.13257	2.5
155.17902	4.7
159.11699	3.9
161.13254	1.7
173.13277	1.6
187.11111	2.1
187.14871	2.1
190.72432	1.5
199.20537	3.3
205.32138	1.4
213.22095	4.5
222.00520	1.6
234.16174	1.7
239.14848	2.7
240.15204	1.7
257.24622	2.4
271.26227	2.8
308.93143	1.6
401.22485	1.5
425.26706	7.1
439.35721	6.5
440.29297	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	439.1579
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
67.05508	0.9
69.24081	0.8
69.60307	4.5
70.06591	2.1
84.08165	1.0
88.07626	0.8
94.06574	5.0
98.21445	1.6
101.34515	0.9
106.06554	2.3
107.04975	0.9
120.08137	1.7
122.06039	3.3
123.04429	5.4
127.03934	2.2
135.04395	1.1
139.03903	5.2
142.68317	0.8
147.04472	1.3
150.05513	50.5
151.03891	0.9
151.05829	1.4
156.75829	0.9
163.03932	2.3
168.06499	1.2
175.03868	1.2
185.21545	0.8
203.03369	1.5
245.04361	1.0
269.04541	1.1
271.06073	1.7
277.11856	1.0
283.06171	1.3
287.05643	2.8
288.08655	2.2
299.05496	1.8
407.17761	1.0
421.09256	1.5
439.15787	100.0
440.16089	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01879	0.8
55.05508	4.1
56.05025	1.0
57.03413	0.9
59.31205	0.7
60.04518	0.7
65.03948	1.2
65.87605	0.7
66.48748	0.8
67.05501	4.4
69.03429	7.1
69.07071	3.8
69.52548	3.3
69.52951	1.8
70.06592	7.8
71.04990	0.9
71.18842	0.7
72.08149	3.8
76.96599	0.6
79.05499	6.6
81.03416	2.9
81.07046	7.3
83.04966	2.4
83.08610	1.5
84.04510	1.1
84.08141	4.6
85.02914	3.4
86.09711	5.4
87.00829	2.5
91.05477	8.2
93.07034	5.7
95.04456	0.7
95.04949	4.1
95.08605	3.8
97.02892	2.8
97.06532	0.9
99.04451	1.2
100.11280	1.0
102.54736	0.9
103.05442	1.2
105.01878	1.2
105.06400	0.9
105.07037	9.8
107.04981	3.9
107.08590	19.4
109.02866	2.1
109.06507	3.0
109.10160	7.4
115.05465	1.5
117.07035	1.9
119.04839	1.0
119.08595	4.4
120.08139	2.3
121.06510	2.8
121.10146	12.4
122.07292	5.4
123.04430	1.7
123.08059	1.7
124.07603	0.7
127.03917	3.0
129.10269	2.3
131.08568	3.0
133.10132	100.0
135.08066	5.2
135.11668	1.6
136.07610	1.2
137.06013	1.2
137.09618	52.6
143.08577	1.6
145.04955	1.2
145.10153	3.3
146.55322	0.7
147.04434	1.3
147.08032	1.3
147.11691	2.2
149.09567	5.9
149.12166	1.2
149.13249	9.2
151.03943	0.7
151.11147	1.1
157.10123	0.9
158.10901	1.3
159.11659	1.3
161.06009	1.3
161.13203	0.8
163.14810	2.5
165.08954	0.7
166.05318	1.1
167.07198	0.8
173.13240	5.5
185.13187	0.9
185.16524	1.5
191.03423	1.1
191.14313	38.2
192.14714	1.0
193.12379	0.7
199.63647	0.9
203.14427	0.9
225.18727	0.8
255.10905	0.7
277.13132	1.0
295.06207	0.7
439.19730	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	438.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
57.07077	100.0
59.04999	27.8
69.07036	2.5
70.53595	1.7
70.63004	5.1
71.08632	76.1
81.28426	1.6
85.10187	60.8
89.06034	26.5
99.11208	1.7
99.11745	14.6
101.09613	2.3
103.07554	3.6
107.07001	2.1
110.42322	1.9
113.13287	5.2
117.09103	6.2
129.07146	1.8
132.08191	1.7
133.08600	22.0
146.17068	2.1
151.09650	6.4
155.17953	5.5
191.12775	6.5
209.13786	6.3
213.22180	13.6
239.14964	12.5
266.02606	1.9
271.26376	5.2
421.35574	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	437.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45300	1.9
52.97956	2.0
53.03948	5.3
54.08111	1.8
55.01864	9.0
55.05233	3.2
55.05510	62.8
57.03434	3.7
57.07054	3.1
59.05001	4.9
61.94168	1.8
67.05505	39.2
69.03427	8.2
69.07074	14.2
69.41708	16.2
70.06599	4.8
71.04997	2.8
74.61651	2.2
76.86514	2.1
79.05062	3.8
79.05492	38.9
81.03418	100.0
81.07054	32.7
83.04988	11.4
83.08619	51.4
84.08160	4.9
85.06567	2.3
86.09698	4.1
91.05486	32.6
93.07048	25.2
95.04967	27.2
95.08604	11.3
97.02895	3.5
97.06540	3.1
97.10175	72.9
105.07034	24.3
107.04951	8.3
107.08587	26.8
109.02905	2.5
109.06525	2.8
109.10144	10.2
111.04428	3.2
111.08090	11.4
111.60057	2.1
117.07056	7.9
119.04902	2.1
119.08583	17.1
121.06490	3.3
121.10139	9.0
123.04435	4.3
123.08089	3.3
125.09628	62.0
129.07024	8.4
131.08617	14.4
133.06502	3.2
133.10136	8.0
135.04407	2.5
135.08063	6.9
135.11734	6.6
137.09636	4.4
142.07787	5.2
143.10661	4.1
144.97093	2.1
145.10127	8.9
147.08002	3.2
147.11674	7.0
149.09633	8.0
153.09151	13.7
155.08446	2.1
157.10152	10.9
159.11693	2.9
163.11176	5.2
171.10158	5.1
175.11179	9.7
189.11214	51.5
193.12248	71.4
209.11734	2.2
227.12810	31.9
249.14926	4.4
270.17859	2.3
283.08618	2.6
317.21109	4.9
345.20636	7.4
363.21783	2.7
400.70786	2.0
419.24274	8.6
437.25360	71.5
437.31085	3.8
438.24954	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	437.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45713	0.4
55.05504	0.4
56.05024	0.3
57.03429	0.3
59.54284	0.3
60.04531	3.5
66.01931	0.3
68.99747	0.4
69.07073	0.7
70.02937	0.5
70.06592	2.1
70.06925	0.3
71.08343	0.8
72.08139	1.0
77.03927	0.3
79.05510	0.4
81.03422	0.4
81.07053	0.5
83.06110	1.9
84.08147	1.2
85.02900	1.0
86.06059	0.7
86.09709	100.0
87.05610	1.1
87.10033	0.5
91.05487	0.5
97.02924	0.5
98.02408	0.7
103.05473	0.5
105.07063	0.4
107.04960	17.4
109.02885	0.4
110.09695	0.6
113.07124	1.2
119.04925	0.5
120.08108	10.8
123.04448	1.2
128.10750	0.9
129.10278	0.8
131.04947	0.6
131.08163	3.6
135.04442	0.5
139.03841	0.5
141.06587	3.1
147.04401	0.6
151.03911	0.9
152.07227	0.4
155.11823	1.0
159.07652	2.6
163.03935	0.7
165.05464	0.4
166.08638	5.1
173.12868	6.2
181.04990	0.9
181.09848	0.4
183.11334	0.6
187.03838	0.3
189.05424	0.5
189.09145	0.4
191.03467	0.8
193.05038	1.2
201.12335	2.8
203.14085	0.3
207.06540	0.5
211.06085	1.3
226.15530	1.5
227.14027	0.6
235.05981	1.3
247.06093	0.6
254.15002	15.3
255.15213	0.4
259.06137	0.5
272.16037	1.9
275.09128	0.7
279.17038	13.4
285.06677	0.5
287.09280	0.5
288.49921	0.4
296.73151	0.3
297.73801	0.3
305.05615	0.6
315.08078	0.4
317.10544	0.6
333.35318	0.4
341.10306	1.4
353.10141	1.4
365.10458	0.7
366.20255	0.6
376.18726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1998
Annotation	Ambiguine E isonitrile
Peak:m/z	Relative Intensity
56.07966	0.3
58.07347	0.4
70.06589	0.8
71.48386	0.4
71.48779	0.5
81.03380	0.3
112.66142	0.3
123.04450	0.4
124.07634	0.4
127.03841	0.4
130.04642	0.3
135.04411	0.6
144.08101	1.4
150.05493	0.5
163.03900	1.2
257.13077	0.4
275.14645	13.6
347.49261	0.4
437.19952	100.0
438.20447	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	437.1446
Annotation	SCHEMBL110262
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	1.6
55.05513	2.2
65.03932	1.4
67.05502	2.4
69.03423	1.8
69.07079	1.6
70.06588	6.6
71.49941	2.0
72.08157	3.3
75.10049	1.1
77.82951	1.1
79.05495	4.4
81.03426	2.8
81.07053	3.8
83.08572	1.1
84.04510	1.9
84.08139	4.6
85.02910	6.6
86.09706	6.3
89.06026	1.2
91.05489	4.4
93.07052	4.7
94.26621	1.2
95.04977	2.8
95.08625	2.1
97.02882	2.6
101.07153	1.2
103.05471	1.2
105.07011	3.2
107.04958	100.0
107.08602	1.9
109.02856	2.4
109.10200	1.5
110.07147	1.7
111.04465	1.5
119.04939	2.3
119.08630	1.6
120.08118	3.5
121.02853	2.8
121.06528	2.9
123.04427	16.6
125.09628	1.6
127.03934	2.7
129.06970	1.7
129.10222	4.0
131.04930	4.6
131.08563	1.9
133.06441	1.6
133.10103	2.0
135.04407	2.8
135.11714	1.6
137.06004	3.2
139.03951	1.3
145.04861	1.2
147.04425	10.4
147.11687	1.8
149.05998	9.8
151.03897	4.2
153.01834	2.0
155.14255	1.7
161.05952	3.5
163.03877	6.7
165.01802	2.3
165.05481	4.3
165.09073	5.0
165.25443	1.2
167.07007	2.4
169.04982	4.6
170.51994	1.2
173.06006	4.0
179.03366	1.5
179.07065	1.6
179.08519	1.3
181.04921	3.1
183.02856	1.9
189.05377	1.5
189.08975	1.3
191.03410	28.0
192.03653	1.5
193.04982	4.7
194.19928	1.2
197.06081	1.3
203.03308	1.3
207.06534	3.3
211.05984	2.3
215.07173	1.9
235.05995	3.6
243.06519	3.8
247.06001	1.5
259.05963	2.4
275.09131	7.9
277.07098	1.5
285.07526	6.7
287.09158	4.0
299.09152	2.7
301.06982	2.1
317.06619	4.2
317.10190	5.7
325.07858	1.2
341.10184	5.9
343.08084	5.1
353.10190	4.8
365.10144	1.8
395.11334	4.9
437.14087	15.3
437.21091	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	437.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
54.48407	0.6
55.01863	1.7
55.05501	1.4
61.66481	0.5
65.03946	1.3
66.51652	0.5
67.05496	2.3
68.99789	1.4
69.03423	1.1
69.07074	0.9
69.15668	6.0
70.06595	1.7
72.08142	1.0
79.05492	4.2
81.03454	1.2
81.07052	1.8
83.01311	0.6
83.08628	0.9
84.04491	0.7
84.08146	1.1
85.02905	1.2
86.09731	1.1
88.02193	1.4
91.05483	3.9
93.03413	0.8
93.07047	1.6
94.79736	0.6
95.04973	2.3
95.08603	1.7
97.02869	0.7
98.43748	0.6
103.05451	0.6
105.03426	0.6
105.07034	2.1
107.04979	5.7
107.08598	1.4
109.06505	0.7
109.10166	1.5
111.04429	0.8
115.05519	0.6
116.05286	2.2
119.04942	7.3
119.08559	1.1
120.08102	1.3
121.02882	9.9
121.03798	1.0
121.06512	0.7
121.10124	0.8
123.04436	34.0
126.20558	0.6
129.06996	0.8
131.04883	1.0
131.08516	0.9
133.06477	0.7
133.10152	1.3
135.04433	9.8
135.11557	0.6
137.02361	1.6
137.05959	0.9
139.03937	0.8
142.55931	0.7
143.04913	0.8
145.02806	1.7
145.06494	0.8
147.04408	22.0
147.11734	1.0
151.07526	0.6
153.01797	0.8
159.04477	0.6
161.05992	4.2
161.09796	0.9
163.03915	14.3
165.01836	3.4
165.05508	7.0
165.09137	0.8
169.06369	0.6
175.03935	0.9
177.05321	0.8
179.03371	2.4
179.07068	2.3
183.02852	1.4
187.03964	1.3
189.05452	1.6
191.03401	100.0
192.03773	1.3
197.05986	1.6
203.03424	4.9
203.06903	0.5
205.04994	1.8
207.06560	6.1
215.07056	0.6
221.04422	3.8
231.06464	1.8
233.04422	1.6
243.06548	6.1
249.07555	0.7
259.34851	0.8
269.08176	0.6
273.07608	0.9
285.07568	14.6
297.07047	0.7
304.63278	0.6
312.51212	0.7
317.06522	5.7
325.07068	1.2
343.08148	30.7
344.08401	1.3
395.11295	7.8
419.11255	0.8
437.12296	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	436.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41084	1.4
55.05496	3.8
57.03418	1.8
57.07076	100.0
59.05002	54.1
67.05480	1.5
69.07054	3.9
69.84524	8.1
71.08632	99.3
81.07081	1.7
83.04990	2.3
83.08614	3.9
85.10184	86.0
87.04470	25.2
89.06035	1.6
95.08617	3.4
97.10154	3.2
98.20944	2.6
99.08064	2.1
99.11744	8.4
100.28859	1.6
103.07558	1.6
107.08547	2.3
117.09121	17.2
135.18713	1.5
141.16338	8.2
181.02567	2.2
186.61023	1.4
186.81134	1.4
199.20578	17.1
257.24777	12.9
387.59048	1.6
391.34348	3.1
409.75955	1.7
419.25467	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	436.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
57.07078	100.0
59.05003	30.0
59.12350	1.4
65.22036	1.2
66.69648	1.1
67.05497	3.4
67.56377	1.4
69.07059	4.0
70.96824	3.6
71.08636	67.4
73.02926	23.3
77.77721	1.1
79.05473	1.7
79.87590	1.3
81.07008	2.8
83.08614	3.4
85.10186	61.3
87.04433	2.0
91.05477	3.1
93.07025	2.1
95.08602	3.6
97.10170	2.6
97.30895	1.3
99.11742	8.1
105.07027	3.6
107.08611	9.5
108.08912	1.9
109.06516	10.4
109.10151	5.8
110.06852	3.5
110.10511	1.5
113.13287	5.1
117.09157	11.1
119.08574	1.7
120.61926	1.2
123.08102	1.8
125.09647	4.4
126.09993	2.1
127.56087	1.2
149.09509	1.6
151.07579	1.4
153.09119	3.1
155.17953	6.9
173.55205	1.2
176.88123	1.2
213.22075	7.7
271.26410	7.2
297.48877	1.3
418.37650	10.7
436.29395	3.6
436.38699	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69069	2.1
53.03946	12.7
55.01867	13.3
57.03425	7.8
60.04523	3.3
61.02913	6.3
62.56829	2.2
65.03918	3.8
68.99777	8.0
69.03431	39.1
70.06566	4.0
71.04982	5.1
71.17446	3.2
73.02906	10.4
81.03410	32.8
83.01305	2.4
83.04957	3.9
84.04489	4.1
84.08136	5.1
85.02905	100.0
87.00381	3.4
87.00829	34.7
91.03937	3.9
97.02892	36.3
99.04456	21.6
101.47147	2.3
103.03938	3.4
105.01871	29.9
107.04946	10.4
108.04485	12.7
109.02875	37.2
110.03191	2.3
111.04440	17.4
116.07082	4.0
117.01823	4.3
123.04437	3.2
124.07588	9.1
125.05977	2.4
126.05530	5.7
126.09161	3.4
127.03921	59.6
129.01793	5.1
135.04376	4.7
139.02829	2.6
139.03900	44.4
145.03932	2.9
145.04959	30.9
147.02858	7.9
147.04405	6.7
151.07553	19.0
152.07912	3.6
153.08237	2.4
155.89775	2.0
159.02892	22.3
159.26567	2.5
163.03902	15.6
171.06523	67.9
181.04919	6.6
189.03882	7.1
194.61659	2.6
195.06520	30.9
207.06490	3.8
213.03761	2.9
213.07538	27.2
231.05002	12.6
233.08064	3.5
237.07556	15.4
243.64841	2.4
248.07632	4.1
254.57504	2.9
261.07547	8.3
279.08667	22.1
310.96805	2.5
395.50827	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	436.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78178	1.3
55.01846	2.1
55.05508	4.0
56.05020	1.9
57.03437	10.4
58.99587	10.4
69.03413	1.4
70.06681	6.1
74.00655	4.0
76.02230	63.5
76.03979	4.1
83.04974	20.6
83.06085	3.4
84.04507	29.7
84.08130	2.2
85.01114	6.5
86.00642	4.3
86.99033	2.6
88.02180	2.8
88.61025	1.5
97.01099	1.9
98.21496	1.7
101.07022	1.4
107.64422	1.4
110.06061	2.5
111.04445	46.8
111.05219	2.5
111.11877	1.6
112.03964	3.1
113.06004	1.4
114.00121	10.8
114.03765	2.0
115.02156	8.5
116.01683	16.3
123.02651	2.0
125.04210	7.3
128.07079	2.4
129.05469	6.3
129.06532	3.9
130.04996	20.9
133.03160	4.7
133.04315	4.0
138.05493	4.7
140.05292	4.0
141.03662	3.0
142.03192	5.8
143.02728	3.6
144.01120	6.6
145.06068	2.0
151.02109	4.0
151.07547	1.7
161.02705	8.3
162.02206	26.3
168.04773	9.8
169.03139	4.5
170.02760	2.2
179.04857	16.6
181.06075	1.7
186.05879	28.8
187.05432	2.1
189.03279	4.9
196.04263	3.5
204.06905	14.9
214.05301	5.4
231.04440	1.8
232.19608	1.5
233.05875	6.0
243.07964	4.8
245.05836	1.8
271.07455	21.2
289.08539	100.0
307.09537	9.3
308.08658	1.7
343.09506	2.3
361.10583	16.8
418.12851	1.9
436.13971	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3469
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01860	0.9
55.05496	0.7
57.07081	1.2
60.91621	0.2
65.03976	0.3
67.05504	1.3
69.07055	1.0
71.08623	0.6
74.09716	0.3
79.05488	0.6
81.07043	1.2
81.24397	0.2
83.04987	0.4
83.08588	0.8
85.10163	0.6
90.43610	0.3
91.05482	0.6
93.07035	0.7
95.04941	0.6
95.08595	0.9
97.06557	0.3
97.10184	0.3
99.00780	0.8
99.03853	0.3
99.04452	4.0
105.07028	0.8
107.08588	0.9
108.00930	0.2
109.06532	1.3
109.10187	0.5
111.03813	0.3
111.04443	2.5
119.08564	0.7
121.10146	0.6
123.08126	0.3
123.11705	0.3
125.05993	10.6
129.06943	0.3
131.08557	0.4
133.10165	0.4
135.11671	0.4
141.05460	5.7
143.08559	0.5
145.10199	0.4
147.11694	0.5
148.30255	0.3
149.09651	0.3
151.07533	0.4
153.05464	100.0
154.05820	1.1
161.13315	0.3
167.07025	0.7
167.08417	0.3
171.11765	0.4
172.27161	0.2
173.13182	0.3
183.11661	0.3
229.41704	0.3
279.19470	0.3
361.23306	0.2
398.60858	0.2
417.33649	11.0
418.33661	0.4
435.34729	28.7
436.35043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80913	1.2
55.01865	4.2
55.05496	4.9
56.05016	2.0
57.03436	10.8
58.99585	12.4
69.57337	1.3
71.46293	2.4
74.00641	3.8
74.06069	2.0
76.02228	60.4
76.03983	6.0
83.04981	19.5
83.06093	4.1
84.04501	28.7
84.08145	2.4
85.01109	5.2
85.02899	2.4
86.00648	6.8
86.99043	3.9
88.02221	1.4
96.04480	2.0
102.03777	1.3
104.68276	1.4
105.71227	1.2
107.04961	2.0
109.84470	1.3
110.06045	1.6
110.07175	1.7
111.04441	50.6
112.02190	1.3
112.04017	2.6
113.00615	1.5
113.63889	1.4
114.00134	11.2
115.02166	6.5
116.01675	16.2
123.02635	3.0
125.04224	8.4
127.03883	1.2
129.05464	9.8
129.06577	4.4
130.05000	17.8
133.03214	4.2
133.04315	4.0
138.05530	3.7
140.05270	4.4
140.07071	5.5
142.03203	6.3
143.02731	5.1
144.01172	9.2
151.02151	2.9
151.07529	4.6
153.06610	1.4
158.06198	2.0
161.02696	10.2
162.02187	24.7
163.03860	3.2
168.04803	13.3
169.03177	4.7
179.04869	21.5
180.03156	2.5
186.05823	32.7
186.07463	2.9
187.05457	1.8
188.03801	1.4
189.03261	5.2
191.54376	1.3
193.08585	1.4
196.04240	4.3
204.06908	15.3
214.05338	5.8
226.05411	6.7
233.05943	9.5
243.07947	5.3
244.06279	2.4
270.04272	1.4
271.07455	23.6
272.05746	2.5
274.07410	5.0
289.08521	100.0
307.09561	9.9
343.09439	2.2
361.10599	21.6
436.13968	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	435.2744
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.71642	1.0
51.02352	1.5
53.03930	3.5
55.01878	1.4
55.05508	13.4
57.03425	3.6
57.07061	4.2
59.04997	3.2
59.88633	0.9
65.03928	3.7
67.05505	100.0
68.63697	0.9
69.03419	2.2
69.07066	7.7
69.15081	7.3
69.15488	3.2
70.06555	1.3
71.04987	4.0
75.24120	0.9
79.05495	37.2
81.03414	6.0
81.07054	32.8
83.04985	6.1
83.08627	7.2
85.02893	1.5
85.06535	5.6
85.45148	1.1
91.05481	31.4
93.07043	32.7
95.04971	12.4
95.08006	1.1
95.08611	18.6
97.06487	1.7
97.10155	2.6
105.04517	1.1
105.07035	23.1
107.04964	3.0
107.08598	10.8
109.06528	8.1
109.10156	52.7
111.08073	3.0
115.05476	1.0
117.07019	4.5
119.08582	14.3
120.19610	0.9
121.06499	1.6
121.10138	3.9
123.04441	3.0
123.08067	2.7
127.11192	2.0
128.06238	2.7
129.06978	7.2
131.08554	2.4
133.10118	5.4
135.08044	1.2
135.11681	2.1
137.09602	3.6
143.08559	5.7
145.10147	6.6
147.08049	2.3
147.11697	17.3
149.09731	1.3
149.13309	1.4
155.10677	3.5
157.10088	1.8
159.11726	1.8
161.09584	4.8
161.13263	5.0
171.11699	13.6
173.11717	12.4
189.12778	6.7
199.11317	1.3
207.13788	14.2
225.14771	1.8
228.73840	1.1
229.14378	1.5
235.13344	3.0
285.06750	1.3
315.07816	1.1
435.27454	41.3
436.27600	2.0
444.22220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2742
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.00898	1.5
53.03939	4.7
55.01875	2.8
55.05518	17.0
56.61721	1.3
57.03439	2.5
57.07071	2.3
59.05006	3.0
62.76583	1.5
65.03937	5.4
66.01287	1.3
67.05507	100.0
69.07072	6.7
70.06561	1.6
71.04997	4.3
71.49673	1.9
73.06549	1.6
79.05499	36.1
80.79454	1.4
81.03407	5.3
81.07061	46.6
83.04992	6.9
83.08615	9.2
85.06525	4.1
85.24916	1.5
91.05482	30.7
93.07044	32.4
95.04979	11.5
95.08610	17.7
97.06557	3.2
97.10166	2.0
105.07043	23.7
107.04970	4.0
107.08598	12.3
109.06516	6.6
109.10164	48.5
111.08094	3.7
117.07008	5.2
119.08582	18.6
121.06465	2.2
121.10163	8.1
123.04452	1.5
123.08058	2.4
123.11658	2.2
129.06982	10.4
131.08571	6.0
133.10130	9.2
135.08044	1.6
135.11685	3.5
137.09593	3.3
143.08536	4.8
145.10136	7.4
147.08017	2.9
147.11679	19.8
149.09605	5.0
151.11234	1.9
155.10706	1.8
157.10147	3.7
159.11745	3.4
161.09608	2.7
161.13286	5.6
169.10216	2.1
171.11656	9.8
173.11755	9.6
173.13145	2.8
175.11148	3.1
185.13191	1.7
187.13307	1.9
189.12764	4.5
207.13892	12.4
225.14906	1.8
242.97646	1.5
243.16049	1.9
284.06552	1.8
285.06573	1.9
315.07693	1.9
325.21866	2.5
343.22650	3.9
343.62775	1.5
345.30649	1.5
349.95300	1.7
417.26474	5.6
435.27438	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15658	1.4
53.62727	1.6
55.01875	10.2
57.03435	16.5
61.02927	13.4
69.03432	29.2
69.07041	1.4
69.68711	9.4
70.06595	6.7
71.01357	4.8
71.05008	2.5
72.08138	4.2
73.02919	71.9
79.05516	1.6
81.03413	6.5
84.04498	2.6
84.08154	4.7
85.02908	100.0
85.28590	1.4
85.97558	1.5
86.09705	7.1
87.04477	4.6
91.03948	4.0
97.02895	59.1
99.04450	5.1
103.03953	2.9
105.07027	22.4
109.02897	8.0
110.07172	2.8
115.03926	28.3
116.07108	3.5
116.95512	1.5
119.04948	3.7
119.08566	2.4
121.02872	6.0
122.03254	3.2
127.03919	28.4
130.06512	2.0
133.04965	33.3
135.04453	1.7
139.03935	1.9
145.02989	2.6
145.04959	57.5
149.02347	2.9
150.07584	4.3
163.03943	3.8
163.06007	23.8
165.01813	9.7
166.02191	6.7
167.03490	1.9
169.04779	1.8
181.04936	2.0
183.02876	3.5
184.03282	2.1
191.03308	2.5
198.78079	1.5
199.06096	2.1
201.09103	5.5
219.10101	1.9
223.06027	7.7
241.07103	5.9
255.70178	1.9
259.08148	8.0
267.06577	3.1
268.06921	6.6
271.05869	5.1
272.06400	6.3
282.08435	5.3
283.06003	33.0
283.09085	2.2
284.06348	91.7
285.07074	6.7
285.13266	4.4
292.07071	1.6
294.08456	1.7
295.05988	2.5
295.10233	5.2
296.06271	9.3
296.09393	1.5
298.08154	2.1
306.08478	1.8
308.06348	1.8
309.07373	4.6
310.04404	3.3
310.07825	20.3
313.07062	14.4
314.07431	59.4
315.08008	2.1
322.08041	2.7
324.09586	15.0
334.07993	5.1
337.07077	6.2
338.07361	35.5
350.07504	13.0
352.09152	3.0
362.07385	15.7
364.18402	1.7
368.08408	21.0
380.08545	21.4
398.09549	23.5
416.10699	11.1
434.11087	7.5
435.21832	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	434.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.8
56.05035	3.3
57.03434	21.6
58.99577	4.8
65.03934	4.0
67.05507	15.1
68.05027	2.0
69.07060	4.0
69.17873	11.5
69.18281	3.0
70.06591	13.2
72.08149	15.5
74.00668	7.7
74.06065	2.2
76.02214	3.2
80.05003	2.7
81.05795	1.9
81.27724	1.4
83.06096	2.7
84.04506	21.6
84.08128	7.0
85.02897	6.1
85.04025	1.7
85.06544	93.7
86.09708	25.0
86.99039	2.8
88.02217	11.4
95.04966	16.8
97.01109	2.4
97.02895	2.2
97.06522	1.9
98.00634	4.7
98.21548	3.1
99.02679	4.3
99.08113	2.7
100.12290	1.5
101.99959	1.6
102.05552	1.9
103.02153	2.9
103.05477	1.8
105.07036	15.1
108.08106	4.4
109.06509	1.7
110.07164	7.2
110.07833	1.6
111.04496	1.9
112.07594	2.1
112.08759	2.0
114.03752	79.2
116.01691	18.6
120.08076	7.5
121.02727	1.9
123.04424	3.3
125.04208	2.7
127.02144	18.5
127.07560	53.4
129.03696	6.2
129.06561	1.6
129.10216	5.3
130.05017	5.3
133.04942	1.8
135.04329	1.8
136.07591	3.1
144.01125	6.0
144.04816	3.7
144.08095	2.3
145.03157	2.0
151.07581	12.2
152.05284	5.5
153.03705	2.7
154.06815	1.9
159.04756	6.8
162.02217	12.4
163.03897	1.6
165.01845	2.1
170.06354	72.9
171.05797	3.8
173.12799	2.7
179.04842	7.1
180.04785	2.6
185.03795	3.5
198.05809	10.3
199.72150	1.5
202.08913	2.9
217.06447	2.3
227.08459	12.9
231.04433	7.7
233.06068	3.5
233.19925	1.6
255.08040	10.9
256.06451	2.5
273.09055	100.0
283.05994	2.7
284.06354	5.0
285.07236	2.7
287.10541	13.3
296.06287	2.3
300.05911	3.1
301.06131	2.0
302.06393	5.9
305.11597	1.7
308.09006	3.3
314.07343	5.0
321.38248	1.7
327.10071	2.7
338.07755	1.8
356.07394	2.9
359.12759	6.0
380.07880	2.7
398.08926	2.4
416.09973	3.5
434.11307	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	434.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
58.99569	0.7
61.02932	0.5
63.42150	0.4
64.74217	0.4
67.05521	1.8
69.03416	1.3
69.60688	1.1
69.61115	1.2
70.06602	0.6
73.02901	0.4
74.17867	0.4
76.02220	1.6
79.05511	0.4
81.03436	0.6
84.04497	0.5
84.08116	0.4
85.02907	3.5
85.06547	0.6
85.51630	0.4
86.99060	0.4
91.03968	0.5
93.07040	0.7
95.04997	0.6
95.08617	4.4
97.02172	0.4
97.02883	1.2
98.21552	0.4
99.04507	0.4
100.02213	2.1
100.07657	0.4
105.00108	0.7
105.07029	1.0
108.05806	0.4
114.03755	0.6
114.90784	0.4
116.07077	0.4
122.02735	7.2
123.04494	0.5
123.08071	6.8
127.03921	0.7
145.04938	0.7
146.02686	1.5
151.07545	100.0
152.07910	1.3
158.02715	0.4
164.03789	0.8
188.03738	0.4
248.06044	0.9
272.09500	4.5
273.09128	0.9
284.08038	5.6
370.74661	0.5
423.96216	0.4
429.38123	0.4
434.17480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34766	0.3
52.77448	0.3
56.05025	0.4
56.58803	0.3
60.04521	0.3
66.58093	0.3
67.05499	1.8
69.03429	0.9
71.37236	0.8
72.08146	0.4
73.02909	0.3
76.02225	0.5
84.04506	1.0
85.02917	1.5
85.06556	0.4
86.09686	0.8
91.05460	0.5
93.07006	0.4
94.06556	0.4
95.08605	4.5
97.02853	0.4
100.02205	0.6
105.07030	1.0
107.04944	1.3
116.01646	0.5
116.07104	0.4
121.06498	0.7
122.02712	3.4
122.06001	0.4
123.07216	0.4
123.08074	7.1
124.07609	0.7
127.03953	0.5
133.06512	0.5
135.08061	0.8
138.09129	0.7
146.02710	0.6
151.07542	100.0
152.07927	1.7
159.01146	1.2
166.08603	0.6
184.04305	0.5
187.01724	0.3
209.90558	0.3
233.02377	1.4
258.13425	1.1
259.07446	0.4
272.09378	4.3
284.08026	1.5
287.06982	0.8
313.12811	18.9
314.13208	0.6
359.09164	0.3
429.06744	0.4
434.16269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38765	1.1
54.13918	1.1
55.05517	5.7
56.80028	0.9
57.07075	5.6
64.00429	1.0
66.93127	0.9
67.05499	2.3
69.07072	12.7
71.08633	5.0
71.50897	1.3
76.30694	1.1
81.07056	2.9
83.08630	6.9
85.10174	2.1
92.47157	1.1
93.07059	1.2
95.08596	2.3
97.10149	4.8
99.04456	2.9
107.08585	1.9
109.10131	2.4
111.11708	2.4
113.06010	4.0
119.08603	1.4
121.02834	1.1
125.05996	12.2
133.10132	1.0
145.10123	2.5
149.68755	1.1
155.07036	100.0
157.10255	0.9
159.11642	1.3
165.01793	1.4
169.10152	1.3
185.04463	2.5
205.62881	1.0
213.42050	1.1
262.10828	0.9
271.05850	1.3
283.06046	11.7
284.06662	3.2
295.06018	1.4
297.07675	1.1
305.82486	1.0
309.07492	1.4
313.07095	8.1
323.09198	1.7
337.07004	3.9
349.07022	1.5
361.06973	1.3
367.07837	2.1
379.08072	2.0
391.35742	2.0
397.09204	2.6
415.10068	2.8
415.35544	3.9
433.11011	1.9
433.37219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3313
Annotation	1alpha,2beta,25-trihydroxycholecalciferol
Peak:m/z	Relative Intensity
53.03949	1.9
54.54298	1.4
55.01857	2.8
55.05517	20.6
57.07079	11.7
65.03915	1.7
67.05504	18.5
69.07067	32.6
71.08629	4.1
71.50264	2.3
79.05477	10.6
81.03409	1.9
81.06596	2.3
81.07056	38.4
83.04979	15.1
83.08625	18.8
85.06548	2.5
85.10155	3.4
85.58187	1.8
91.05484	9.5
92.45482	1.7
93.07047	13.3
95.04955	3.6
95.08606	41.8
97.06545	7.8
97.10196	11.3
99.04444	4.4
105.07031	12.4
107.04926	3.4
107.08602	10.1
109.06525	8.1
109.10161	18.1
111.04452	10.2
111.11678	4.6
113.05986	2.3
116.19880	1.8
117.06994	3.4
119.04952	4.2
119.08588	12.3
121.02849	4.1
121.06550	2.6
121.10139	12.6
123.08065	4.5
123.11740	9.5
125.05994	25.6
127.03929	11.5
129.06911	2.0
129.62233	1.5
131.08548	5.8
133.10139	5.5
135.08043	5.2
135.11691	7.5
137.05969	10.7
137.09627	3.7
137.13245	6.9
139.03896	34.9
141.05438	3.5
141.12784	1.5
142.29596	1.6
143.08560	2.9
145.10115	9.0
147.08026	4.3
147.11671	7.0
149.09601	4.8
149.13222	4.1
151.07501	6.2
151.14755	3.1
153.05458	27.2
157.10149	3.8
159.08066	3.0
159.11711	5.5
161.09625	5.4
161.13197	3.1
163.07521	3.0
163.11201	4.0
163.14827	3.4
165.01817	6.6
165.09091	7.4
165.12808	2.4
167.07005	5.0
167.08360	1.8
169.04927	5.3
171.11751	3.9
173.09647	4.5
173.13121	2.1
175.11145	6.5
175.14780	3.5
177.09065	4.2
179.10635	2.2
181.08485	2.1
187.07564	2.6
189.09032	4.7
189.12793	2.0
191.10692	6.7
192.07863	2.5
193.08690	1.9
193.12267	4.0
195.10155	2.7
201.09169	6.4
203.10667	4.2
203.14156	1.9
205.08577	2.3
205.12112	2.0
207.10182	2.1
209.11688	7.6
217.15807	2.1
221.11626	2.6
223.13344	1.6
261.25583	2.1
263.27448	1.8
267.06540	3.5
271.05832	3.2
277.18097	3.5
281.07968	2.3
283.06000	43.5
284.06784	6.3
295.06018	4.3
297.07556	2.5
309.07492	5.9
313.07083	27.0
323.09183	6.7
337.07077	13.3
349.06876	2.6
359.25845	3.8
361.06970	3.3
367.08136	7.6
379.07837	9.3
397.09113	7.3
397.31006	3.7
415.10370	8.1
415.32059	100.0
416.32272	2.9
433.11304	9.3
433.33093	56.3
434.33218	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Vitexin
Peak:m/z	Relative Intensity
55.01878	1.1
59.33118	1.0
70.58743	2.0
70.59119	1.6
85.02898	1.8
119.04935	2.9
121.02880	10.5
137.02354	1.0
139.89958	0.9
145.02838	3.5
149.02313	2.9
163.03882	4.1
165.01819	11.5
167.03348	2.2
177.01859	1.6
179.23814	1.0
183.02898	2.3
229.04945	1.2
243.02908	2.5
250.97600	1.1
255.06548	2.8
256.07257	2.8
267.06488	5.8
269.08203	1.0
269.33582	1.0
270.05139	1.8
271.06024	11.5
279.06552	1.1
281.08115	6.3
283.06012	100.0
284.06757	17.5
295.06015	10.9
295.09201	1.8
297.04510	1.3
297.07568	7.0
299.63773	1.2
304.42975	1.0
305.08139	2.4
306.54352	1.0
307.05927	1.9
308.06842	2.2
309.03796	2.3
309.07513	19.8
313.07068	77.0
314.07211	2.4
321.07651	2.4
323.05640	2.3
323.09143	15.5
325.06906	2.4
333.07553	2.7
337.07074	34.3
343.07983	1.5
349.07092	11.2
351.08533	3.9
361.07120	9.0
367.08173	20.5
379.08087	20.0
397.09222	24.3
415.10263	17.5
433.11279	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	433.1492
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.56526	0.5
52.37495	0.5
55.05508	1.1
57.51474	0.5
67.05491	1.2
68.80123	0.5
69.07071	0.6
71.23447	1.1
74.59055	0.7
79.05495	1.7
81.07066	1.5
87.38821	0.5
91.05489	2.1
93.07053	1.2
104.42718	0.6
105.07031	1.0
107.08610	0.6
107.27116	0.5
110.63749	0.5
119.04938	0.6
119.08546	0.8
119.13206	0.6
121.02876	2.1
127.03930	1.4
129.07034	0.8
131.08556	0.7
133.10168	1.3
135.04433	0.6
149.05948	0.6
165.01859	2.1
165.05450	8.1
178.06241	1.5
183.02907	3.4
188.34843	0.6
211.02408	2.4
233.08086	0.7
243.06483	1.0
255.06468	1.2
261.07635	0.8
267.06613	1.4
271.06052	2.0
283.05984	15.8
284.06827	2.5
285.07785	0.7
289.07013	3.1
295.06128	2.5
297.07632	1.4
299.05362	2.8
301.07156	0.7
302.04242	1.0
305.08286	0.7
309.04239	1.0
309.07611	2.6
311.05496	2.2
313.03693	0.6
313.07007	12.5
314.07825	2.0
317.06613	4.1
323.09164	2.7
325.07156	1.2
327.05048	3.7
327.08484	0.9
329.06656	1.3
329.10159	1.2
331.08109	1.4
337.07126	5.0
339.04938	3.2
341.02997	1.1
341.06671	1.1
342.07391	1.8
343.08255	0.9
345.06046	9.2
349.07181	1.6
354.07269	1.5
355.04462	1.4
357.05966	1.4
357.09808	2.0
359.07755	2.3
360.08350	3.9
361.07062	1.3
367.08206	2.1
369.05927	0.8
370.06970	0.9
371.07251	0.9
373.05496	5.2
373.09714	0.9
375.10822	2.2
379.08224	3.5
385.09222	8.3
387.06921	5.0
388.07849	5.1
397.09283	2.3
399.10721	1.6
400.11636	0.8
403.10236	72.7
404.10614	2.0
415.10104	3.3
417.12009	3.5
418.12555	14.0
418.18143	0.7
433.15002	100.0
434.15369	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	433.1133
Annotation	Apigenin 7-O-glucoside
Peak:m/z	Relative Intensity
51.89581	1.0
55.01889	1.0
70.78237	1.9
79.01860	3.4
83.94154	1.2
85.02917	2.1
109.02882	1.4
117.61066	1.0
119.04958	4.5
121.02866	16.0
122.60892	1.1
145.02864	2.9
149.02292	1.2
153.01836	1.7
163.03905	3.3
165.01837	9.5
167.03470	2.0
177.01799	1.7
187.03911	2.0
188.63591	1.0
191.03485	1.4
197.05801	1.2
213.05489	4.0
217.04984	2.6
224.30356	1.0
227.07019	1.4
231.02937	1.3
243.02937	2.9
255.06534	6.2
256.07272	6.3
259.05994	1.4
261.04044	2.2
263.53210	1.3
267.06531	3.5
270.05231	2.3
271.05927	6.9
281.08109	2.9
283.06018	100.0
284.06778	32.6
285.07437	2.7
287.05493	6.1
295.06036	14.9
295.09140	1.9
297.07507	12.6
305.08041	1.7
307.06009	1.4
308.06766	3.2
309.07544	11.2
311.05594	4.3
313.07062	88.6
314.07425	2.3
321.07675	2.3
323.05591	2.3
323.09137	20.4
325.07220	3.8
333.07413	2.3
337.07068	26.9
343.08160	4.2
349.07001	5.0
351.08621	7.9
355.08188	1.6
361.07068	4.4
367.08160	21.5
367.12729	1.4
379.08194	16.7
386.18649	1.3
397.09216	32.6
398.09616	1.4
415.10269	44.1
416.10519	1.4
433.11319	36.0
434.11694	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	433.113
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.01859	0.5
68.99784	0.5
70.62119	0.7
91.05474	0.5
101.25431	0.2
119.04960	2.1
121.02874	1.2
125.19199	0.2
145.02815	0.7
153.01808	4.4
163.03909	0.5
165.01814	0.5
225.05513	0.3
229.04953	0.6
243.06628	0.5
250.09607	0.2
267.06464	0.3
270.05170	0.3
271.06003	100.0
272.06302	2.0
281.08072	0.3
283.06003	5.7
283.09088	0.3
284.06787	0.9
295.06030	0.6
309.07480	1.1
313.07034	3.5
323.09125	0.8
324.97894	0.3
337.07013	2.0
349.06949	0.5
361.06940	0.4
367.08145	1.3
377.79636	0.3
379.08105	1.0
397.09186	1.0
415.10315	1.0
433.11157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Vitexin
Peak:m/z	Relative Intensity
55.01872	0.6
57.03430	0.6
65.03934	0.5
68.99788	0.9
81.03426	1.1
85.02901	1.8
91.05459	0.9
92.62937	0.5
109.02889	1.5
119.04929	3.0
121.02865	9.9
123.00817	0.6
131.04866	0.6
137.02303	0.5
139.87543	0.4
141.01816	1.0
145.02852	3.6
147.04448	0.6
149.02345	2.0
159.04440	0.6
161.79170	0.5
163.03944	3.2
165.01843	14.4
167.03387	1.6
177.01790	1.7
181.04955	0.6
183.02887	1.9
187.03908	1.9
189.01788	0.7
191.03380	1.9
191.08868	0.5
195.02902	1.1
205.04906	0.8
213.05450	1.0
215.03387	0.9
217.04912	0.7
221.00540	0.4
228.98605	0.4
229.04953	1.4
231.02942	0.6
239.07196	0.5
243.02853	1.4
255.06577	1.3
256.07349	1.6
259.05945	0.7
261.04065	0.7
267.06506	7.2
269.04669	0.5
270.05142	2.2
271.06039	5.5
279.06531	1.4
280.07364	0.7
281.08093	6.8
283.06015	100.0
284.06766	12.5
293.07990	0.7
294.05072	0.5
295.06088	11.8
295.09583	2.3
297.04196	0.8
297.07568	5.0
305.07993	3.0
307.06250	2.7
308.06833	1.6
309.04001	1.5
309.07541	21.9
311.05478	1.3
313.07056	76.4
314.07504	0.7
321.07565	2.2
323.09109	16.8
325.07019	0.8
327.08765	0.7
333.07617	3.7
335.05612	0.5
336.27148	0.6
337.07059	35.7
343.08170	1.1
349.03091	0.8
349.07095	10.9
351.08636	3.3
361.07086	9.4
367.08151	20.9
379.08142	20.9
397.09192	22.1
415.10245	16.4
433.11282	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	432.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
57.07074	0.6
59.67357	0.4
62.58451	0.4
67.05210	0.4
67.05513	3.5
68.03716	0.4
69.03437	0.8
69.07063	2.7
71.08620	0.6
71.24191	0.9
79.05485	2.2
81.07053	1.9
83.08595	1.4
91.05477	0.7
93.07038	1.2
94.07828	0.7
95.08614	7.2
97.10121	0.8
105.07014	1.8
107.04957	7.9
107.08602	0.5
108.05761	0.5
109.06492	0.9
109.10162	1.3
111.04425	1.1
111.11716	0.5
119.08631	0.6
121.06507	1.6
122.07288	13.3
123.08071	10.5
123.11738	0.5
124.08878	0.9
131.08537	0.4
135.04424	0.4
135.08038	4.0
137.05972	1.7
138.06754	1.7
139.07515	0.7
145.10123	1.0
149.05949	0.5
149.09625	0.7
149.98027	0.4
150.06763	37.9
151.07544	100.0
152.08345	6.3
163.07545	1.9
163.11159	1.4
164.08344	2.5
165.09094	0.5
173.09607	1.8
173.13220	0.5
175.07561	3.0
176.08249	0.8
177.09091	2.3
189.09175	0.8
191.10675	22.0
192.11197	0.8
205.12306	1.4
206.13008	0.5
259.96463	0.4
283.05997	1.1
313.07205	1.0
414.34933	7.3
415.35211	0.5
432.35989	88.8
433.36359	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76127	0.6
55.05497	2.0
57.07083	0.9
67.05508	3.7
69.03442	0.8
69.07063	3.2
69.51627	3.4
69.52044	1.5
75.73759	0.5
79.05484	2.1
81.07056	4.1
83.08617	1.6
91.05499	1.4
91.49200	0.6
93.07046	1.1
95.08609	9.5
98.21423	1.1
105.07017	2.5
107.04972	4.4
107.08585	2.5
108.48633	0.7
109.06503	0.7
109.10147	3.5
111.04466	1.3
119.08563	2.0
121.06495	1.5
121.10136	1.9
122.07287	7.0
123.08071	8.9
123.11722	2.0
133.10120	1.0
135.08063	3.9
135.11673	1.0
137.05983	1.8
138.06769	1.4
139.07561	0.9
145.10178	1.1
147.11667	1.1
149.09593	0.7
150.06760	21.0
151.07545	100.0
152.08366	5.6
163.07591	1.0
163.11172	1.5
164.08376	2.1
165.09184	0.6
173.09587	1.2
175.07565	2.4
177.09120	2.1
177.16420	1.1
185.13048	0.6
189.09085	1.5
191.10680	15.2
191.17877	0.7
205.12224	1.8
219.13786	4.6
233.15468	1.1
247.16745	0.7
280.68338	0.8
283.05994	2.6
313.07037	2.5
323.09070	0.8
326.16605	0.6
337.07141	1.4
342.74670	0.8
347.10260	0.7
397.31015	2.1
414.34930	68.8
415.31998	3.4
415.36102	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	432.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	7.9
59.29910	1.0
65.37621	1.1
68.32579	1.3
69.03418	2.0
69.76668	6.4
70.06579	1.7
79.50787	1.0
81.03422	1.2
81.90781	1.0
83.00027	1.0
84.04507	1.2
84.08170	1.2
85.02907	9.4
86.09697	2.4
87.04449	2.0
87.13732	1.1
89.06030	100.0
92.51775	1.3
97.02885	2.5
97.53493	1.0
99.78963	1.1
102.05566	1.5
103.07593	2.8
107.06403	1.1
107.07080	5.6
109.02882	1.2
113.95468	0.9
127.03947	1.5
130.48145	1.0
133.08601	35.5
147.10175	1.6
151.09619	5.2
177.11214	9.6
195.12288	67.6
217.08121	1.2
253.16464	85.9
254.16776	1.5
266.35150	1.1
283.06067	1.8
313.06961	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	430.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
57.07073	2.5
62.52959	0.4
62.95579	0.4
62.98449	0.4
67.05511	3.3
69.07050	0.8
69.45132	1.9
69.45551	1.2
71.08627	2.6
72.08929	0.4
75.39343	0.4
81.07056	2.1
83.04978	0.4
83.08589	0.5
83.84579	0.4
85.10176	0.7
91.05458	1.2
93.07019	1.5
95.08595	1.7
105.07027	0.7
107.08579	0.9
109.10144	5.2
117.07102	0.4
119.08582	2.5
120.81100	0.4
121.06494	10.7
121.10070	0.5
122.07294	1.6
123.08106	0.5
135.08035	1.5
136.08833	12.6
137.05997	0.5
137.09615	11.9
138.10017	0.7
145.10138	0.4
146.10316	0.3
149.09630	2.7
150.09892	0.9
151.07545	0.8
152.08302	0.9
159.11652	0.7
162.06749	0.5
163.11194	2.6
164.08330	31.4
164.11478	1.4
165.09108	100.0
166.09439	8.0
175.11172	0.6
176.08298	0.5
177.09091	3.1
177.12755	0.4
178.09555	1.2
187.11121	1.1
190.09900	0.7
191.10690	1.9
192.11038	1.1
201.12762	0.6
205.12244	7.7
205.84949	0.4
206.12607	0.9
219.13904	0.6
220.14137	0.7
318.25140	0.5
321.58347	0.4
430.38007	76.0
431.38397	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	431.0974
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
55.01844	0.9
57.03392	0.6
61.02896	0.4
65.03915	0.2
67.05468	0.2
68.99778	1.3
71.32821	0.4
73.11748	0.2
79.05445	0.6
81.03428	1.0
81.03794	0.2
85.02908	1.5
85.14787	0.2
86.09672	0.3
89.03883	0.2
91.05431	1.0
94.77786	0.2
95.04914	0.7
97.02851	0.6
103.05438	0.4
107.04905	0.8
109.02905	1.3
117.03362	0.3
119.04894	0.5
121.02851	1.2
123.00771	1.0
123.04429	0.2
131.04877	0.5
135.04417	3.9
137.02345	6.3
137.03389	0.3
141.01816	1.6
143.04897	0.3
145.02856	0.5
146.07002	0.2
147.04373	0.6
149.02280	0.9
153.01848	0.5
159.04341	0.6
161.02342	3.2
163.00240	0.4
163.02568	0.3
163.03896	4.8
165.01834	18.5
167.03438	0.4
169.02945	0.2
171.04265	0.3
173.02332	0.3
175.03856	0.5
177.01740	0.8
177.05421	0.7
179.03423	1.4
181.05003	1.2
183.02878	3.5
187.03854	2.1
189.01817	1.1
190.02585	0.4
190.99728	0.5
191.03401	2.4
199.03830	0.3
202.33620	0.3
203.03348	1.1
205.04915	1.2
209.04330	0.3
213.05376	0.3
215.03409	1.4
229.05092	0.2
231.02852	0.4
233.04422	0.7
243.02937	1.6
245.04425	0.5
251.06906	0.2
255.06569	0.5
261.03781	0.4
267.06619	0.3
269.08096	0.4
271.06030	0.6
279.06558	0.4
281.04636	0.4
281.08630	0.2
283.05981	2.6
286.04559	1.0
287.05484	6.6
293.08224	0.3
295.05963	2.3
296.06610	0.3
297.04407	0.4
297.07547	11.7
298.08038	0.2
299.05493	100.0
300.05890	3.2
307.05865	0.6
309.07538	0.8
310.04608	0.8
310.07916	0.2
311.05457	8.6
311.09113	2.5
312.05951	0.3
313.03357	1.0
313.07047	3.1
321.07538	3.0
323.05460	3.0
324.06259	2.4
325.03537	2.2
325.07031	30.8
326.07489	0.8
327.04996	0.9
329.06476	3.1
336.06229	0.4
337.07043	3.2
339.05331	0.7
339.08636	14.7
340.08981	0.5
341.06418	0.4
349.03116	0.4
349.07101	4.4
351.04941	0.7
353.06552	47.7
354.06998	1.6
365.06555	12.8
366.06738	0.4
367.08154	3.5
371.07730	0.3
377.06561	11.5
378.06818	0.5
383.07608	19.6
384.08011	0.5
395.07614	19.8
396.07986	0.9
413.08664	19.5
414.08783	0.6
431.09735	15.3
432.10092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.8
57.36285	0.9
59.05001	100.0
67.05479	1.5
69.07070	1.3
70.06591	10.7
71.50037	1.7
72.08137	3.5
81.03422	1.8
81.07072	2.5
84.04484	2.4
84.08143	8.6
85.02908	1.3
86.09703	12.6
87.04456	2.1
87.10059	1.2
89.06030	43.4
91.05467	1.5
93.07047	2.1
95.04929	1.2
95.08594	1.0
97.02869	1.6
101.09611	1.2
103.05441	1.6
103.07572	4.1
105.07021	1.7
117.09136	23.5
119.08571	1.3
120.08105	11.9
121.06505	1.3
127.03870	1.5
129.10223	3.6
133.08609	31.2
136.07559	2.6
147.10156	1.6
151.09651	1.8
164.07002	1.3
165.01933	1.8
168.02109	1.0
170.06015	1.4
175.13307	6.9
177.11237	6.0
195.12300	1.4
209.09264	1.1
239.14886	28.0
243.02472	1.4
253.16702	1.2
262.18069	1.1
283.06006	1.3
297.07401	1.3
297.19116	7.2
299.05515	9.0
325.07071	2.0
339.08871	2.1
353.06622	3.8
355.23276	3.7
368.19302	1.2
377.06693	1.2
383.07449	1.8
402.49649	1.2
413.08566	1.8
413.27167	3.8
430.20706	4.1
431.09744	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	430.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
56.05033	1.9
57.03440	7.3
59.05002	100.0
64.18505	1.4
69.03414	3.3
69.07059	2.7
70.04288	6.4
70.06588	15.3
72.08142	5.5
73.02940	1.8
74.06066	2.0
81.03418	2.1
84.04525	2.1
84.08147	9.0
85.02907	6.9
86.09711	16.0
87.04481	6.6
94.01443	1.3
97.02902	3.3
105.07016	1.3
109.02860	1.5
115.07586	1.3
115.35295	1.3
117.09142	30.1
120.08121	2.8
123.04452	2.0
127.03940	1.9
129.10236	3.7
135.04445	2.7
135.10150	2.8
136.07564	3.2
136.15132	1.5
137.02336	5.3
145.04939	1.6
159.04402	1.5
161.02354	2.0
163.03886	2.1
164.07098	1.6
165.01851	10.3
175.03970	1.6
175.13283	9.8
183.02832	2.0
183.15063	1.9
191.03343	1.8
223.27921	1.4
229.04866	1.7
233.04532	1.6
251.18556	54.7
278.13712	1.6
287.05612	3.6
295.06204	1.5
297.07501	6.8
299.05505	64.3
300.06140	2.1
311.05493	7.4
313.06973	1.7
324.06345	3.2
325.07050	21.8
327.05032	1.5
329.06558	2.8
339.08575	11.0
349.07083	3.3
353.06613	28.5
365.06635	7.4
367.08121	2.1
373.35864	1.3
377.06445	5.0
383.07568	13.0
395.07550	13.3
413.08707	15.8
430.21646	9.6
431.09802	22.0
431.22375	6.1
435.97256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71568	0.8
56.05020	2.2
56.41306	0.8
58.06592	2.0
59.04995	1.5
59.24820	0.8
61.87980	0.7
69.03414	0.8
69.07034	0.9
69.52551	1.6
69.52953	4.0
70.06596	27.0
70.28311	0.8
71.06965	1.0
71.07371	2.5
72.08150	3.2
74.23513	0.9
79.05498	1.3
81.05791	2.5
81.07074	1.4
82.06590	1.1
83.04987	2.1
84.04490	2.5
84.08145	6.7
85.02887	1.4
86.09707	14.4
87.04471	2.6
87.05555	0.7
88.07630	5.7
89.06030	1.3
91.05434	1.0
93.07061	1.2
94.06567	1.8
95.04952	0.9
95.05984	0.9
96.08134	25.6
106.06554	1.6
106.60062	0.9
106.68050	0.7
107.06149	0.8
107.07355	5.6
109.06541	0.8
114.09171	31.5
119.04954	1.7
120.08097	1.5
121.02848	0.9
122.09688	9.4
123.04440	6.1
129.10245	3.3
130.08633	1.6
131.07005	0.8
132.10205	0.9
136.07576	1.2
137.02341	1.0
140.10710	34.9
142.93210	0.7
145.10097	1.1
147.04381	5.5
151.03894	1.0
161.06000	1.4
163.03886	6.9
165.01852	1.3
165.05486	2.6
175.03915	42.6
176.04559	1.9
177.05470	9.4
179.07062	1.6
183.08078	1.2
183.15009	0.9
189.05511	2.1
191.07031	1.6
201.09099	0.9
203.03503	0.9
203.07033	5.5
205.04961	1.9
211.07486	1.1
214.06305	0.9
221.08159	1.9
229.08597	20.7
240.50690	1.0
247.09721	3.5
260.12952	2.2
278.13873	31.4
279.14355	1.3
295.06564	1.0
299.05460	7.6
311.05484	1.5
315.05276	0.9
325.07111	3.6
327.08630	17.2
329.10297	2.1
339.08722	1.8
353.06564	4.3
377.06680	0.9
381.13242	1.0
383.07227	0.9
386.16296	0.9
395.07559	1.8
412.17401	1.7
413.08865	2.0
430.18637	100.0
431.09732	2.7
431.18900	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.59597	0.7
53.03931	1.4
55.05512	5.8
55.65621	0.9
56.36083	1.0
57.03416	1.9
57.07075	19.3
67.05499	8.8
69.07074	7.6
70.62872	1.0
70.63235	2.5
71.04979	1.2
71.08632	10.5
71.48653	0.8
76.80490	0.8
79.05494	4.7
81.06597	1.1
81.07053	15.2
82.07353	0.9
83.08609	4.7
85.06538	1.7
85.10188	5.9
91.05468	4.4
93.07046	7.8
95.08607	18.0
97.06526	0.8
97.10160	3.3
102.02322	0.8
102.50362	0.7
105.07032	6.0
107.08610	10.1
109.06544	0.8
109.10158	9.5
111.04447	0.9
111.08148	1.2
111.11708	1.8
113.00188	0.9
113.09632	2.4
119.08595	7.9
121.06529	0.8
121.10139	8.1
121.69599	0.8
122.07299	1.0
123.08083	1.2
123.11700	4.8
129.06918	1.0
131.08559	3.4
133.10144	7.7
135.08031	5.7
135.11690	6.2
137.09628	12.7
137.13214	1.2
137.58453	0.8
139.07533	1.9
145.10083	3.9
147.11710	6.4
149.09631	13.1
149.13248	4.6
151.07597	1.1
158.11014	0.9
159.07973	1.1
159.11736	5.0
160.08904	1.2
161.09627	0.9
161.13242	3.0
162.06755	1.0
163.07500	0.8
163.11185	18.3
163.14812	3.4
165.09117	100.0
166.09445	2.2
173.09683	2.2
173.13185	2.4
175.11177	5.3
175.14812	3.5
176.08334	1.7
177.09103	10.7
177.12785	2.2
179.10614	1.9
186.10342	1.7
187.11226	3.0
187.14819	2.1
189.09111	1.6
189.12772	1.7
189.16394	2.9
190.09901	1.7
191.10706	8.4
191.17969	2.0
201.12726	3.0
203.10695	1.8
203.14360	1.4
203.17943	1.7
205.12245	12.2
207.17436	2.1
215.14322	2.0
217.19511	1.4
219.13812	6.3
229.15927	0.9
233.15352	3.1
235.20514	1.0
247.17006	2.4
261.18411	1.5
275.20187	1.2
289.21619	1.9
303.23175	1.6
317.24780	1.3
401.34018	2.0
411.36163	3.7
429.32150	1.9
429.37241	39.1
430.37704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.08549	0.7
55.05493	3.0
55.20246	0.6
57.07078	17.7
60.21645	0.7
61.02512	0.7
64.00115	0.6
66.10739	0.8
67.05494	5.5
69.07060	4.2
71.08633	12.1
79.05479	2.2
81.07061	6.1
83.04976	0.8
83.08626	3.3
85.10179	6.1
89.10173	0.7
91.05479	2.6
93.07040	3.3
95.08605	6.6
97.10164	2.0
98.21562	1.2
104.52869	0.8
105.07026	2.0
107.08617	5.8
109.06551	0.8
109.10178	6.7
111.04424	1.3
111.11732	1.4
117.07060	1.0
119.08591	4.1
121.06493	1.2
121.10164	4.2
122.07280	0.9
122.16043	0.7
122.66859	0.7
123.08050	0.8
123.11700	1.7
125.05982	0.6
131.08571	3.0
133.10118	1.6
135.08047	5.6
135.11687	2.1
137.09607	10.5
139.07565	1.7
143.08461	0.7
145.10123	2.0
149.09624	12.9
149.13266	1.0
151.07515	0.7
156.80991	0.7
159.07990	1.2
159.11673	3.1
160.08791	0.8
161.09627	0.9
162.06804	0.8
163.07564	1.1
163.11197	19.7
165.09119	100.0
166.09430	1.1
172.08885	0.8
173.09625	2.6
173.13277	2.1
175.11185	4.7
175.56223	0.7
176.08331	2.0
177.09111	10.9
177.12798	1.9
179.10625	1.5
186.10434	1.3
187.11160	2.8
189.09131	0.9
189.12721	2.2
190.09837	1.8
191.10657	9.3
191.14265	1.0
201.12761	2.5
203.10757	2.2
203.14285	0.9
204.11539	1.0
205.12251	10.5
215.14319	1.2
219.13786	5.5
225.87047	0.7
233.15315	2.3
247.16985	1.4
261.18420	1.6
275.20013	1.5
289.21582	2.5
298.89352	0.8
303.23184	2.0
315.43985	0.7
317.24881	1.5
331.94849	0.7
339.45715	0.7
373.31192	1.2
401.34009	2.1
411.36044	2.1
429.32169	2.6
429.37299	35.5
430.37604	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05522	2.4
57.06841	0.4
57.07078	4.7
63.07086	0.4
67.05505	4.2
69.07067	3.1
69.25369	2.1
69.25798	1.8
71.08631	3.4
73.04758	0.6
79.05485	1.1
81.07060	6.2
83.08633	2.1
85.10162	1.1
91.05463	0.6
93.07044	1.0
95.08612	4.0
97.06517	0.5
97.10153	1.3
97.10780	0.4
105.07018	1.3
107.04937	0.5
107.08596	1.4
109.10166	4.6
111.11706	0.7
113.00057	0.5
119.08582	2.5
121.10144	1.2
122.07296	1.6
123.11738	0.7
124.87967	0.4
125.06017	2.4
131.08583	1.0
133.10089	1.1
135.08044	1.7
135.11719	0.6
137.08554	0.5
137.09619	9.8
137.13185	0.6
144.09343	0.6
145.10120	1.4
149.09622	6.1
149.13280	0.8
151.07495	1.6
159.11679	2.8
161.09583	0.7
162.06735	0.7
163.11200	2.4
165.09117	100.0
166.09421	1.6
172.08765	0.6
173.09619	1.9
175.07559	1.3
176.08316	1.1
177.09109	3.9
177.12790	1.6
179.10683	1.9
187.11232	2.4
189.09143	0.9
190.09882	3.4
191.10658	4.5
200.44427	0.4
203.10654	0.6
205.12248	23.8
247.17003	0.4
307.18515	0.4
411.36273	0.5
429.31808	2.5
429.37354	7.7
442.89786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99854	0.9
59.05007	5.6
63.15140	0.8
64.25475	0.8
64.98983	0.7
66.98762	0.9
67.05493	0.9
70.06585	9.0
71.49532	0.9
71.49903	1.4
72.08155	2.2
73.04762	1.2
73.06551	1.6
79.05459	1.1
84.04510	1.0
84.08137	4.4
85.02932	1.3
86.09713	6.3
87.04472	6.4
87.32452	0.8
89.00040	0.8
89.06031	100.0
91.05482	2.8
93.22517	0.7
103.07594	2.3
107.07072	1.2
120.08089	0.9
121.10162	0.9
127.03931	0.9
129.10272	2.5
130.08635	0.9
131.07071	1.5
133.08606	50.0
136.07628	0.9
163.11276	1.2
177.11259	13.5
221.13858	1.4
226.10843	1.7
239.14963	1.3
260.22836	0.8
283.17581	1.5
303.85141	0.8
327.20175	1.4
371.22855	3.4
429.15652	1.6
429.20963	11.4
429.26547	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.0
55.01863	5.2
55.05516	14.4
57.03439	14.5
57.07061	2.8
59.04964	1.4
61.02913	2.3
67.05504	14.6
69.03036	2.1
69.03423	38.0
69.07066	5.6
71.05005	8.4
71.08594	1.8
71.49952	1.6
73.02908	3.0
79.05489	14.7
81.03418	83.7
81.07047	20.7
83.04976	20.3
83.08625	20.1
85.02435	2.7
85.02902	26.5
85.06520	2.2
87.04464	3.3
91.05468	16.6
91.13857	1.6
93.07037	12.2
95.04983	17.5
95.08610	9.6
97.02895	53.3
97.06525	3.4
97.10191	3.5
99.04472	7.8
99.08101	1.8
105.07037	15.8
107.04942	2.6
107.08614	9.6
109.02882	15.9
109.06521	2.9
109.10138	7.4
111.04439	7.1
111.08053	8.3
113.05996	2.8
119.08585	14.8
121.10133	9.1
123.08071	1.7
123.11686	3.8
125.09599	2.0
127.03899	13.0
129.05469	6.6
129.06964	7.7
131.08548	10.8
133.10112	5.8
135.11711	2.8
137.09612	2.3
137.13304	1.9
142.07784	2.6
145.04953	1.6
145.10156	4.0
147.08046	2.1
147.11691	13.0
149.09610	5.9
151.07599	1.8
157.10133	12.1
159.11620	1.9
161.13271	2.2
163.11148	3.0
163.14998	1.7
165.12717	3.7
175.11177	9.9
191.10649	4.7
193.05005	1.9
193.12231	57.8
211.13298	100.0
227.12761	5.1
229.14392	4.0
249.14815	5.2
285.16910	10.0
355.17361	6.4
359.02606	2.2
381.49838	1.5
429.21317	55.7
429.31906	66.2
429.37030	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.7
55.01863	3.4
55.05518	12.3
57.03434	14.1
57.07056	2.2
61.02916	1.9
67.05503	15.2
69.03425	32.1
69.07070	5.6
71.01339	1.1
71.04992	8.1
71.08612	1.2
73.02923	1.9
79.05501	9.4
81.03416	75.7
81.07054	14.3
82.26579	1.2
83.04980	22.6
83.08611	15.4
85.02908	21.6
85.06548	2.1
87.04481	1.5
87.95560	1.2
91.05470	12.9
93.07043	10.9
95.04962	16.9
95.08585	7.6
97.02892	48.7
97.06523	3.5
97.10155	2.6
99.04432	5.7
100.95290	1.2
101.02374	1.6
103.03904	1.1
105.07024	14.2
107.04935	4.1
107.08575	6.5
109.02865	12.5
109.06516	3.2
109.10130	3.6
111.04432	7.4
111.08065	8.6
113.06038	2.1
117.07037	2.0
119.08601	9.6
121.06532	2.1
121.10125	7.8
123.08022	2.3
123.11674	2.5
125.09609	2.0
127.03914	14.0
129.05518	5.7
129.06987	7.2
131.08554	8.2
133.06490	2.5
133.10127	6.4
135.11662	2.0
137.09601	1.9
139.04234	3.8
142.07748	1.3
145.10182	1.7
147.08037	1.5
147.11670	10.2
149.09630	4.6
157.10118	8.4
163.11177	2.7
165.12781	3.1
175.11128	10.9
181.12251	2.5
191.10573	3.2
193.12233	54.0
200.20036	1.9
201.57024	1.4
211.13281	100.0
227.12753	4.5
229.14297	3.6
249.14868	5.3
255.23270	2.2
270.66302	1.3
285.16910	6.8
337.16580	1.6
355.17361	6.0
411.19702	1.6
429.21310	57.4
429.31851	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	428.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.6
56.05021	4.6
57.06841	2.0
57.07078	23.8
58.06583	4.5
59.05013	1.3
60.04525	28.4
60.99294	1.2
67.05516	9.8
67.05821	2.0
68.05012	1.8
69.07059	7.3
70.06579	1.8
70.07355	1.4
71.50062	1.4
72.04502	2.2
74.06083	23.8
79.05489	7.0
80.05037	1.5
81.03403	2.9
81.07062	16.3
82.07378	1.7
83.08601	6.2
85.02893	2.3
86.06073	8.1
87.08108	82.1
88.07629	27.2
91.05463	5.2
93.07050	7.2
93.07561	1.3
94.07359	2.4
94.91137	1.4
95.08601	14.0
97.02859	2.1
97.10147	2.7
101.09569	1.6
105.07015	5.0
106.07363	2.2
107.08600	6.6
109.06501	1.6
109.10147	9.4
110.71143	1.6
111.11666	1.4
119.08569	4.8
121.10140	4.8
122.10459	3.1
123.11684	4.9
133.10103	3.0
134.10397	1.7
135.11693	4.3
137.13278	2.5
142.12286	14.9
144.10152	1.5
147.11705	2.9
149.13293	3.3
163.14828	2.8
174.13516	1.6
174.14919	17.4
191.17967	3.4
192.18234	2.1
193.12195	2.9
203.17993	1.5
211.13245	3.2
217.19485	2.2
280.26364	5.6
298.27414	7.9
306.27942	2.5
324.28748	8.4
342.29907	14.2
355.95901	1.4
396.34711	23.4
425.40765	1.6
428.37329	100.0
429.21017	2.8
429.37350	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	428.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
55.70727	1.0
57.07073	1.0
57.97539	1.0
67.05495	4.1
69.07057	4.0
71.08656	1.4
71.50017	1.2
71.50452	1.7
79.05516	1.2
81.07044	3.4
83.04987	1.0
83.08631	1.5
87.04475	1.6
93.07050	2.2
95.08621	3.9
96.08920	1.0
97.10167	1.4
109.10145	8.6
110.42718	1.3
119.08568	4.6
121.06519	9.7
122.07303	1.6
136.08847	15.6
137.09631	14.3
149.09610	2.9
164.08342	35.1
165.09120	100.0
166.09491	4.5
177.09151	1.5
189.09082	1.1
205.12184	8.6
206.12744	1.4
392.52798	1.2
428.36496	72.9
429.36917	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	428.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17624	1.9
53.03940	3.6
53.62311	1.8
55.05277	2.3
55.05515	27.3
55.77343	1.9
56.05022	4.5
57.03427	2.9
57.06836	2.1
57.07078	27.7
58.06596	3.4
60.04529	27.1
67.05492	8.4
68.05018	2.4
69.03413	7.1
69.07063	8.0
69.51583	14.0
70.06596	3.5
70.07399	2.4
71.04971	2.3
71.08621	3.4
72.57501	1.8
74.06085	25.0
79.05483	7.2
81.03423	15.8
81.07066	11.9
83.04972	4.7
83.08605	9.4
85.02907	4.2
86.06052	7.4
87.08111	72.4
88.07632	23.8
89.06032	2.6
91.05470	7.0
93.07045	8.1
95.04954	3.3
95.08613	10.1
96.08172	1.8
96.08908	2.7
97.02897	9.0
97.10188	2.9
98.06032	2.1
99.04430	2.5
105.07018	4.7
107.08604	7.3
108.08869	2.2
109.02889	3.1
109.10159	7.7
119.08571	7.3
121.10131	5.8
122.10468	2.2
123.11747	3.5
128.90907	2.0
131.08591	2.8
132.08929	2.1
133.10095	3.0
135.11736	3.0
136.12032	2.2
140.10722	2.5
142.12254	11.6
145.10133	4.1
147.11684	3.7
163.14806	2.2
174.14888	20.8
192.18251	2.7
193.12183	10.7
211.13321	15.1
272.24902	1.9
280.26443	4.9
298.27512	6.9
324.28934	8.0
326.26804	2.2
342.30115	11.5
378.33740	2.4
396.34741	24.5
428.37320	100.0
429.21219	10.7
429.37384	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	428.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.9
55.05516	5.5
56.05047	3.2
56.64930	3.3
57.03447	17.9
59.04998	8.8
60.43069	2.8
61.02923	12.0
61.22873	2.7
67.05531	3.1
69.03436	36.3
69.07065	2.8
70.06599	24.1
71.01407	3.1
71.05000	2.8
71.49471	4.9
72.08150	7.5
73.02924	68.0
79.05487	6.1
80.81926	2.6
81.03426	10.9
81.07052	8.0
84.04514	5.4
84.08142	10.3
85.02912	100.0
86.09698	13.3
87.04467	11.2
89.06039	3.2
91.03984	3.3
91.05499	3.5
93.07030	5.8
95.04992	2.6
95.08624	5.4
97.02903	58.3
99.04463	8.7
101.06042	9.6
105.07035	4.3
105.44472	2.9
108.34483	3.6
109.02886	9.2
110.07175	5.7
115.03949	21.9
120.08092	6.2
123.04420	5.0
127.03922	36.1
129.10254	3.6
131.07172	3.0
133.04979	31.6
136.07587	3.5
137.06065	2.7
145.04971	58.7
150.07588	3.2
151.03896	3.7
153.82732	2.8
163.06044	17.5
223.06131	4.8
223.89914	3.5
241.07074	6.6
259.08249	4.7
274.70706	3.6
303.08734	4.7
359.02661	3.4
368.28522	2.6
391.30826	3.0
450.82120	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3936
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05513	17.5
57.07061	7.2
58.49419	2.0
67.05508	27.2
69.07067	50.2
70.67416	4.5
71.08623	4.7
79.05501	14.3
79.23563	2.1
81.07060	88.8
81.07534	5.3
83.08622	25.1
91.05484	10.7
91.46208	2.2
93.07047	27.7
95.08607	100.0
97.10184	16.3
105.07046	14.7
107.08595	37.1
109.10159	69.3
111.11713	29.6
112.29339	2.1
119.08569	13.0
121.10146	32.6
123.11714	47.3
125.13252	2.1
131.08514	3.6
133.10144	13.2
135.11700	29.7
137.13245	25.8
139.11137	3.8
145.10083	5.1
147.11694	12.5
149.13251	33.2
151.14821	6.1
159.11664	6.9
161.13269	8.3
163.14827	17.1
165.09068	7.4
165.16393	2.7
173.13226	4.2
175.14856	11.9
177.16452	14.7
179.17964	2.9
189.16322	7.1
191.17963	13.3
195.17500	3.8
201.16469	2.3
203.17958	10.6
205.19484	7.7
207.17445	2.6
215.17836	2.6
217.19444	17.5
219.21034	2.8
221.18961	3.2
229.19550	2.3
231.21080	9.0
235.20573	6.3
240.34300	2.3
249.22223	3.5
259.24078	3.1
271.24008	2.8
286.54144	2.2
286.72260	2.3
287.27591	2.5
299.27228	2.7
325.28888	2.3
329.60052	3.2
334.38773	2.7
345.31113	3.1
353.32245	2.2
409.38458	19.6
427.39420	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	427.3938
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03933	2.8
55.05296	2.4
55.05513	20.0
57.07067	8.1
62.44128	2.6
67.05508	28.6
69.07072	34.7
69.36408	22.9
71.08626	2.7
79.05499	15.6
81.06602	5.1
81.07059	81.8
83.08613	18.8
85.06543	5.3
88.92960	2.8
91.05495	13.0
93.07048	46.3
95.08609	100.0
97.10159	15.9
98.21603	3.5
105.07033	24.5
107.08597	77.2
109.10159	85.9
111.08054	5.5
111.11692	7.4
119.08588	33.7
121.10149	55.5
122.10474	3.4
123.11706	49.2
125.13299	4.1
131.08534	3.8
133.10139	20.9
135.11696	52.5
137.13243	18.3
145.10092	8.9
147.11697	26.1
149.13263	47.1
151.14824	3.9
159.11699	8.8
161.13246	23.9
163.14824	32.6
165.12752	3.8
165.16389	3.8
173.13225	6.6
175.14839	11.7
177.16356	8.3
179.14305	16.1
187.14861	6.8
189.16339	14.7
191.17944	35.7
201.16382	3.5
203.17964	17.0
205.19521	14.3
207.17451	8.4
215.17949	8.3
217.19560	13.9
219.21136	7.4
229.19470	5.5
231.21075	4.3
241.19582	3.5
245.22690	4.0
249.22124	4.1
285.25818	2.8
326.40933	2.8
409.38498	20.0
427.28290	5.7
427.33932	40.0
427.39304	42.8
443.43759	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05510	17.1
57.07071	5.6
67.05509	31.9
69.07072	40.5
71.05000	7.5
71.08644	4.5
79.05497	11.3
81.07060	54.3
83.08624	15.3
85.06548	46.1
91.05477	9.3
93.07047	23.6
95.08617	100.0
97.06540	2.4
97.10166	13.9
105.07032	12.0
107.08598	48.6
109.10167	98.8
110.10513	2.8
111.11729	13.5
113.09632	4.8
115.79015	2.6
119.08585	16.2
121.10152	37.3
123.11718	39.3
133.10129	11.9
135.11691	31.3
137.13255	13.5
147.11676	13.0
149.13258	20.4
153.12680	4.0
159.11664	5.3
161.13281	7.8
163.14841	11.6
173.13234	2.5
175.14851	6.0
177.16426	8.1
189.16423	7.9
191.17972	12.3
203.18030	8.6
205.19521	26.9
209.19017	6.4
217.19594	15.4
219.20985	4.4
221.19011	12.6
231.21091	8.0
235.20729	5.7
243.21301	2.5
245.22705	5.4
313.28970	6.6
389.46246	3.3
427.39423	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	427.3936
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05505	23.1
55.71477	3.5
56.75930	4.0
57.07066	7.4
66.05241	4.0
67.05509	27.1
68.84345	4.1
69.07068	42.4
69.36494	34.5
71.04974	6.4
79.05478	17.2
81.07058	65.2
83.08609	19.9
83.59340	4.4
85.06551	37.8
91.05466	10.4
93.07052	34.4
95.08611	100.0
97.06506	4.9
97.10156	13.5
98.21638	3.8
105.06990	18.2
107.08590	51.4
109.10151	97.9
111.11715	13.0
113.09605	5.4
119.08559	14.3
121.10152	42.3
123.11710	31.7
128.75890	3.8
133.10083	14.8
135.11720	35.5
137.13251	24.2
139.11195	4.8
147.11678	15.6
149.13235	25.4
151.11151	4.6
158.20763	4.9
161.13225	14.4
163.14827	13.1
173.13203	4.0
175.14873	9.9
177.16370	7.4
189.16405	6.5
191.17940	10.4
203.17958	9.8
205.19533	18.7
213.00697	6.3
214.98560	11.4
217.19534	10.0
221.18935	9.1
229.00146	14.8
231.21016	8.5
235.20633	11.6
245.22847	5.1
288.36731	5.2
289.25186	5.8
299.27304	5.4
313.28845	10.1
351.97305	4.1
397.01492	4.2
409.38333	4.7
427.25244	12.8
427.30505	6.2
427.39456	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	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05524	4.9
55.05769	0.9
57.07074	3.7
61.77378	0.6
63.99260	0.6
64.82851	0.5
64.88906	0.6
65.03955	0.6
67.05511	7.2
69.07072	7.9
69.86777	0.5
71.08616	1.8
79.05503	3.3
81.03410	0.7
81.07062	12.7
83.04992	0.7
83.08648	4.2
85.06538	1.2
91.05472	2.6
93.07043	4.1
95.08061	1.0
95.08620	11.8
97.10170	2.1
98.21562	1.4
105.07044	2.4
107.08620	3.9
109.06527	1.0
109.10162	10.7
111.11696	1.1
117.07078	0.8
119.08585	4.0
121.10168	3.8
122.07238	1.4
123.11713	3.4
125.05957	0.9
131.08574	1.3
133.10153	2.0
135.08038	2.2
135.11725	1.6
137.09627	9.9
137.13254	2.6
145.10135	1.9
147.08066	0.7
147.11726	1.7
149.09637	4.9
149.13278	3.4
151.07576	3.5
151.14812	1.0
159.11705	2.3
161.13292	1.2
163.07539	1.8
163.11279	1.1
165.09123	100.0
166.09451	1.7
173.09621	0.9
175.07561	3.2
175.14813	0.9
177.09135	4.0
177.12830	1.0
179.10725	2.2
187.11255	1.4
189.09102	3.0
189.12727	1.1
189.16353	0.7
190.09880	2.4
191.10701	2.5
203.10658	1.8
205.12253	21.5
217.12355	1.4
219.13794	1.2
275.27219	0.9
409.34302	1.0
426.06174	0.6
427.30624	1.1
427.35678	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	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03939	2.4
55.05513	20.5
57.07085	10.1
57.07321	2.1
67.05502	33.2
68.98885	1.8
69.07071	39.5
71.04995	9.6
71.06267	4.9
71.08630	2.2
79.05493	19.4
81.07059	86.9
83.08624	21.4
85.06547	17.4
91.05486	8.5
93.07050	37.5
95.08612	100.0
97.10176	9.9
99.08115	3.9
105.07050	20.0
107.08597	56.2
109.10157	88.0
110.10512	3.6
111.11732	6.9
113.09641	5.5
119.08586	21.5
121.10149	40.9
123.11714	43.3
127.11198	12.8
133.10149	16.8
135.11697	44.1
137.13278	17.2
145.10118	3.6
147.11705	17.3
149.13263	37.8
151.14835	4.6
153.12788	5.0
159.11740	5.2
161.13269	13.1
163.14848	22.1
165.09151	5.4
173.13310	4.4
175.14853	13.1
177.16373	18.9
187.14841	2.4
189.16418	7.7
191.18002	13.4
203.17964	9.1
205.19545	8.1
215.17952	2.4
217.19527	16.0
219.21178	4.1
231.21022	10.4
233.22777	3.8
257.22739	2.8
259.24255	4.8
259.68268	2.5
341.31973	5.3
345.31326	3.0
357.31473	4.2
409.38336	7.1
427.39478	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.2
57.03413	0.7
57.07080	2.7
67.05505	5.6
69.03410	0.5
69.07067	8.6
71.04989	0.8
71.08614	1.8
72.77652	0.4
79.05492	2.7
79.64443	0.4
81.07057	12.2
83.08621	3.9
85.06539	0.5
85.10175	0.7
91.05490	1.7
93.07071	3.5
95.08614	12.9
96.08955	0.6
97.06506	0.8
97.10181	2.7
105.07027	1.9
107.08575	3.4
109.06553	0.7
109.09478	0.8
109.10162	9.0
111.11726	1.7
117.05524	0.8
117.06992	0.6
119.08584	3.8
121.10128	2.9
122.07288	0.9
123.11724	3.4
125.06013	0.8
125.09637	0.6
125.13261	0.8
131.08595	0.5
133.10106	1.6
133.82907	0.4
135.08061	1.6
135.11732	2.7
137.09624	9.3
137.13242	4.2
145.10095	1.4
147.11685	0.9
149.09633	4.6
149.13310	1.6
151.07547	1.4
159.11694	1.3
161.13332	0.4
163.07520	1.2
163.11194	0.9
163.14851	0.9
164.08298	0.4
165.09117	100.0
166.09462	2.1
172.08788	0.6
173.09634	1.0
173.13237	0.6
175.07558	1.8
175.14856	0.5
176.08302	0.8
177.09134	2.5
177.12781	0.9
177.16371	0.7
179.10718	1.1
179.17920	0.4
187.11256	1.0
189.09061	1.3
190.09869	1.6
191.10670	1.7
191.18001	1.3
201.16460	0.4
203.10754	1.6
205.12248	20.2
205.19618	0.8
217.12268	0.7
228.98868	0.5
275.27341	0.7
371.31461	0.8
427.35297	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96188	0.4
53.03934	0.6
55.05267	0.8
55.05511	7.6
57.05651	0.5
57.07082	4.5
67.05508	4.9
67.78499	0.5
69.07070	23.7
69.25594	4.2
69.36545	0.5
69.78923	0.4
71.08630	1.8
79.05482	1.8
81.07059	7.9
83.04990	0.8
83.08147	0.8
83.08616	9.0
85.10165	1.0
91.05473	1.8
93.07018	2.6
95.08611	6.7
97.10161	4.3
98.21571	1.0
104.12828	0.5
105.07034	1.3
106.07558	0.5
107.08610	3.0
109.10156	8.0
111.04450	0.7
111.11747	2.4
117.06979	0.8
119.08580	3.6
121.06508	1.5
121.10136	2.2
122.07248	1.4
123.11752	2.3
125.13238	0.9
131.08569	1.5
133.10118	1.4
135.08034	1.9
135.11673	1.5
136.08873	1.1
137.09613	9.8
137.13216	1.0
139.07526	0.8
145.10129	1.6
147.11710	0.6
149.09625	10.0
149.13252	1.2
151.07581	2.7
159.07935	0.7
159.11708	0.7
161.09695	0.6
162.06805	0.8
163.07484	1.3
163.11194	4.8
164.08307	2.3
165.09116	100.0
166.09444	1.1
171.11662	0.6
173.09612	1.6
173.13264	1.1
175.07523	3.0
175.11142	2.6
176.08412	0.8
177.09100	6.5
177.12613	0.6
179.10666	2.1
187.11180	1.4
189.09120	3.3
189.12689	0.9
190.09868	2.0
191.10681	6.2
195.55855	0.5
196.60625	0.5
201.12732	0.9
203.10640	6.6
203.14285	0.8
205.12263	9.9
217.12283	1.4
219.13828	2.1
231.13815	1.7
233.15376	1.2
245.15436	0.7
261.18607	0.5
289.21603	0.6
301.21576	0.7
345.27847	0.9
358.28549	0.7
359.29260	0.8
366.12210	0.6
399.32385	0.9
427.15472	2.2
427.35580	9.3
428.36572	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94973	1.6
51.83460	1.8
53.03934	2.2
55.01875	2.2
55.05514	36.3
57.03444	17.3
57.06794	2.2
57.07077	44.6
62.82238	1.5
67.05508	38.5
69.07072	56.0
70.61332	1.7
71.05003	3.1
71.08637	25.3
79.05487	16.2
81.06590	3.3
81.07057	54.9
82.62596	1.3
83.04974	3.8
83.08150	2.8
83.08621	39.3
85.06520	3.2
85.10186	14.9
91.05480	5.4
93.07046	24.1
95.08609	59.0
97.06542	14.6
97.10174	26.8
99.08105	2.0
101.06045	1.6
105.07024	3.4
107.08588	19.6
109.10153	24.8
109.66736	1.5
111.08067	6.2
111.11720	8.2
115.07577	2.7
119.08601	3.9
121.10139	25.9
123.11720	11.9
125.09645	7.4
133.05446	1.7
133.10152	3.1
135.11682	22.0
137.09578	3.3
137.13255	7.2
139.11182	5.0
145.10153	2.8
147.11740	2.5
149.09650	2.4
149.13249	14.5
151.14845	2.0
153.12744	6.7
157.12210	2.0
163.14832	5.1
165.09142	12.6
167.14342	5.4
177.16400	3.6
181.15863	3.5
189.09163	2.0
191.17975	2.4
198.98039	1.6
199.16776	2.0
203.10658	11.8
205.19504	2.5
213.18416	2.0
221.18947	1.9
223.20482	3.1
235.20598	1.8
251.23756	2.6
259.31662	1.9
289.28900	7.0
307.29987	9.8
317.28430	7.1
335.29413	21.9
371.26852	2.0
371.31552	37.7
409.33035	11.2
427.34247	100.0
428.34702	1.8
441.11951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
56.96556	0.3
69.07068	0.3
70.06599	3.8
70.09441	0.3
72.08158	2.8
74.02441	0.8
77.03896	0.2
78.72775	0.2
79.05482	0.2
80.23397	0.2
84.08120	0.5
85.02910	0.2
86.09710	1.8
87.05602	1.8
88.03999	0.2
90.05544	0.3
91.05513	0.9
93.07041	1.0
95.04934	0.3
98.21414	0.3
103.05478	3.9
105.07037	0.2
112.08699	0.3
116.03465	0.2
118.06525	0.2
120.08109	100.0
121.02858	0.4
121.08464	1.2
123.04446	1.7
124.07581	0.3
131.04927	0.3
133.02783	0.2
133.05057	0.3
133.06090	6.8
135.04381	0.3
139.03920	1.6
145.02873	0.4
147.04454	0.3
151.03970	0.2
163.03961	0.5
167.03365	0.4
175.04004	0.3
177.05519	0.6
179.03441	0.3
183.14940	0.5
187.03996	0.3
189.05562	0.2
191.03395	1.3
203.03430	0.6
229.04959	0.4
233.04523	0.3
245.04501	0.4
247.06061	0.5
257.04532	0.8
259.06036	0.3
263.10239	1.0
267.14929	21.4
268.15250	0.5
275.05588	1.1
280.12933	3.6
283.06143	0.3
283.09909	0.3
283.69431	0.3
287.05487	1.2
295.06091	0.7
295.14444	5.0
297.68909	0.3
307.05914	0.3
319.21088	0.7
321.07645	0.3
325.07129	0.7
333.21091	0.3
337.07077	0.2
349.07126	0.4
351.08438	0.3
379.08215	0.8
391.08096	0.5
409.09091	2.0
410.17200	0.3
425.62878	0.2
427.10208	0.6
427.19785	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	427.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05512	32.2
57.03439	14.9
57.06798	2.0
57.07076	39.3
60.02137	1.4
67.05502	34.0
69.07065	43.7
69.21719	11.8
71.04979	2.7
71.08630	27.1
73.06544	2.8
79.05491	13.0
81.06593	3.2
81.07053	46.4
82.70837	1.4
83.04967	3.5
83.08617	34.8
85.06533	2.4
85.10175	13.6
91.05466	3.1
93.07032	19.7
95.08605	47.3
97.06525	13.4
97.10157	22.6
99.08098	2.0
99.15179	1.5
101.05991	1.7
105.07041	2.4
107.08573	13.4
109.10151	23.5
110.10472	1.9
111.08076	8.7
111.11705	8.4
115.07590	1.7
121.10144	21.4
123.11700	12.6
125.09618	5.9
125.13295	1.8
129.09100	2.3
133.10170	1.8
135.11694	16.7
137.13231	5.7
139.11191	6.4
141.27060	1.6
147.11714	1.8
149.13248	10.1
151.14862	2.4
153.12769	5.9
157.12268	2.2
163.14886	4.3
167.14340	5.1
171.13805	4.0
177.16386	4.7
181.15979	2.3
191.17917	3.3
194.55920	2.0
199.16853	2.5
209.19070	4.0
213.18515	1.9
223.20702	2.1
224.77869	1.4
233.22646	2.3
241.21452	1.4
289.28903	6.5
307.29999	10.5
317.28372	11.0
323.08279	1.6
335.29385	20.7
371.31543	38.7
372.65155	1.6
409.33032	12.9
427.34204	100.0
428.34955	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	427.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.02985	1.8
55.05494	1.3
56.05025	1.2
56.96549	0.9
68.99770	0.8
69.03416	1.1
70.06592	56.6
71.06116	1.6
71.49490	1.6
72.07757	1.7
72.08150	30.4
79.05501	1.7
80.05016	1.4
84.08145	2.1
85.02888	1.9
86.06015	1.0
90.94827	1.0
91.05449	1.4
95.01318	1.9
95.06066	1.0
96.08115	3.5
97.02875	2.1
97.07647	11.8
107.04926	1.2
108.08104	2.4
109.02888	1.4
110.07147	1.8
110.43217	1.2
112.08734	12.4
114.10288	29.6
120.08121	7.3
121.06506	3.9
121.08859	1.5
122.07108	1.0
122.09662	14.1
123.04452	4.4
124.07661	1.1
133.07584	8.9
134.09644	3.5
135.04414	2.8
136.06171	6.3
136.07614	1.9
139.03886	4.9
145.01654	1.8
145.07625	1.2
146.06013	1.5
147.03192	0.9
147.10304	1.0
148.11195	2.5
149.12010	3.1
150.12782	29.4
153.05444	1.2
158.06000	1.7
158.09642	2.7
158.97369	1.3
160.07547	2.4
160.11186	4.8
163.02675	1.9
163.03877	1.4
163.21243	1.1
166.12271	3.2
167.15459	2.5
172.07657	0.9
175.12283	11.4
186.05534	1.1
186.09120	1.6
187.12238	2.2
188.10736	4.7
190.12367	1.1
191.03357	2.2
192.14973	15.4
192.26212	1.2
193.04982	1.6
200.07164	1.2
200.10721	1.3
203.03493	1.4
204.06573	5.1
205.11212	0.9
209.17609	38.3
214.08566	4.3
216.10146	1.4
229.04985	1.3
230.12910	1.6
232.09622	5.9
233.04550	1.1
246.11325	1.2
253.16574	12.8
257.04428	2.3
265.00259	1.3
275.05475	3.0
277.16541	1.3
278.10229	2.3
287.05499	3.0
290.99176	1.0
295.10706	2.2
306.13336	4.7
331.12656	1.0
348.15561	2.6
365.18155	10.6
367.16150	1.0
383.19412	5.9
399.03357	1.2
409.09064	1.6
427.11755	5.4
427.18216	100.0
429.22589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39474	0.3
57.04560	0.3
59.13196	0.3
68.99802	0.6
70.06596	0.6
70.94112	0.8
84.08152	0.4
86.09713	0.4
94.04046	1.3
95.04955	0.3
106.62052	0.3
111.04422	0.4
112.05145	0.3
119.03595	0.3
121.02876	0.5
123.04411	4.6
123.06691	0.9
135.04401	1.1
139.03912	8.0
143.40868	0.3
144.08064	0.6
147.04431	0.3
150.07756	100.0
151.03920	0.7
151.08192	0.3
161.94475	0.3
163.03925	1.6
165.05513	0.5
167.03410	1.2
175.03935	0.9
179.03374	0.7
187.04005	0.5
191.03416	2.9
193.04951	0.8
194.41830	0.3
201.05513	0.5
203.03444	1.9
205.04999	0.4
217.05032	0.5
229.04951	0.9
231.06456	0.4
233.04405	1.6
245.04425	1.0
247.06062	1.5
255.06520	0.4
257.04575	2.1
259.06055	1.0
275.05515	4.0
282.12085	0.7
283.06000	1.3
287.05505	4.9
295.11508	19.5
299.05661	0.6
301.07031	1.0
358.69513	0.3
408.95679	0.3
409.09149	2.8
427.19739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06596	2.5
69.03374	3.3
69.63371	3.2
70.06575	12.2
70.91623	4.9
72.08145	6.0
73.54910	2.9
84.08144	3.9
86.09696	4.8
103.05499	4.4
120.08101	96.0
133.06056	8.6
139.03915	4.2
152.26538	3.0
155.10538	3.0
175.03850	3.6
179.03395	100.0
188.07152	3.0
223.07440	3.0
236.10475	3.7
267.14908	21.6
287.79184	2.9
295.05951	4.4
295.14532	3.8
386.16229	3.6
409.09009	7.6
427.10275	5.0
427.17569	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	426.2389
Annotation	Phe Phe Leu
Peak:m/z	Relative Intensity
60.81406	0.4
62.19414	0.4
67.05501	0.3
70.06581	1.3
71.49397	0.6
72.08118	0.3
79.05461	0.4
81.07027	0.5
83.65599	0.3
84.08128	0.5
86.09705	5.7
89.06033	0.4
91.05473	1.1
93.07041	2.1
94.93731	0.3
95.05011	0.3
95.08564	0.4
100.11278	0.4
103.05458	4.0
103.13709	0.3
105.07020	0.6
109.02822	0.4
110.06026	0.4
119.08659	0.3
120.08100	100.0
121.08517	0.6
123.08089	0.4
124.07639	0.3
132.10191	0.6
136.07567	0.5
141.09143	0.4
144.78911	0.3
165.98434	0.3
167.06934	0.4
180.06438	0.4
182.15402	0.4
210.14969	0.4
233.16454	2.5
248.12770	0.7
261.15994	0.9
267.14920	22.0
268.15347	0.6
279.17004	4.2
283.09967	0.7
291.42761	0.3
295.14420	4.8
328.38843	0.3
401.91113	0.4
427.13937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1022
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02397	0.8
53.03934	1.6
55.01869	4.4
60.45624	0.8
65.03913	1.2
67.05479	2.2
68.99786	9.4
69.89625	4.3
70.06567	2.3
77.03899	1.3
79.05482	1.2
83.01359	0.9
83.04961	0.9
84.04503	0.9
84.08139	1.5
86.09664	1.2
91.05508	1.3
93.03387	1.6
95.04945	1.4
104.75108	0.7
105.03393	1.6
107.04948	2.3
108.90056	0.8
109.02877	1.1
111.00786	3.5
111.04469	4.0
115.05419	1.2
119.04929	2.4
121.02834	4.0
123.04426	57.4
125.64780	0.7
127.03898	4.0
131.04939	1.1
133.06499	1.0
135.04407	14.9
137.02310	2.2
137.05957	3.3
139.03899	100.0
144.08029	0.9
145.02769	0.8
145.06491	1.5
147.04390	6.6
149.02330	2.3
149.05972	1.8
150.07751	22.0
151.03897	7.8
153.01855	1.3
153.06987	1.7
156.48038	0.8
159.04344	1.8
161.02290	1.0
161.05980	1.8
163.03903	21.5
165.05492	6.9
167.03404	15.2
169.06468	0.8
173.05959	2.4
175.03909	9.9
177.05455	7.4
179.03383	10.8
181.05008	0.9
181.06468	1.5
183.04431	1.2
184.92297	0.8
185.05969	2.0
187.03841	4.0
189.05466	6.5
191.03389	38.1
193.04961	7.9
201.05464	10.5
203.03387	23.5
203.07089	1.2
205.04950	5.3
209.05927	1.3
212.49181	0.9
213.05450	3.9
215.03397	3.2
217.04945	4.1
219.06500	0.9
227.07126	1.0
229.04980	14.3
230.05762	1.4
231.06558	2.0
233.04442	17.0
237.05498	1.6
241.04901	2.8
245.04465	14.9
247.06001	18.2
247.51253	0.8
251.05450	3.5
255.06458	3.7
257.04459	33.4
258.05066	2.1
259.05994	9.6
269.04468	4.1
271.05960	5.1
275.05490	40.8
279.06802	1.1
283.06024	14.6
287.05496	69.5
288.05847	1.1
295.11499	3.7
299.05484	4.8
301.07074	12.5
367.07761	0.9
391.07834	1.2
391.94174	1.2
398.63193	0.9
409.09164	32.0
427.10052	2.2
427.19440	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05504	19.3
57.03424	5.9
57.07069	15.9
62.35163	3.3
63.78677	2.9
67.05505	39.0
69.07068	32.9
71.08630	6.1
79.05484	21.2
81.07059	67.6
83.08617	24.8
91.05480	16.4
93.07047	53.6
95.08610	100.0
97.06540	5.2
97.10155	11.4
98.21609	6.7
104.31823	2.8
105.07036	41.8
107.08591	62.2
109.06448	4.9
109.10159	98.5
110.50070	2.9
111.08067	10.0
111.11687	3.8
113.09642	4.1
119.08578	39.2
119.83022	3.2
121.10139	59.5
123.08056	8.4
123.11716	39.0
125.09693	4.0
131.08568	9.9
133.10132	39.8
135.08087	4.1
135.11691	39.1
137.09587	6.1
137.13258	26.1
143.08571	5.2
145.10147	16.8
147.11676	35.5
149.09624	3.5
149.13243	32.0
151.11288	4.4
151.14790	6.6
157.10123	9.1
159.11711	20.7
161.13254	31.3
163.14790	16.1
165.16336	5.6
169.04778	3.3
171.11674	5.6
173.13284	13.5
175.14828	16.1
177.16402	7.7
179.14299	3.5
187.14819	15.4
189.16377	13.8
191.14348	5.9
191.17957	8.6
199.14825	3.7
201.16402	6.7
203.17964	17.1
205.15881	8.0
205.19540	6.7
206.67101	3.9
213.16393	7.4
215.18079	6.1
217.19432	16.3
219.17332	3.7
219.21094	8.8
229.19508	7.1
241.19756	3.3
257.22598	5.2
269.22662	5.6
273.22098	3.4
297.25717	3.7
298.66025	3.2
299.23627	3.7
337.28760	3.9
397.38458	4.0
407.36725	21.7
425.32455	5.3
425.37854	91.7
426.38046	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	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	27.6
57.07060	11.6
67.05506	41.1
69.07072	84.4
69.17292	38.2
71.04993	21.3
71.08633	6.3
76.54056	3.8
79.05489	22.2
81.06603	4.3
81.07061	82.3
83.08630	27.0
85.06541	56.8
85.10178	5.4
91.05473	20.4
93.07046	46.3
95.08610	92.6
97.06510	11.7
97.10167	15.2
98.20653	4.8
99.08080	8.3
105.07030	37.3
107.08596	61.5
109.10159	93.7
109.26673	3.4
111.08136	5.7
111.11710	8.2
113.09664	7.0
119.08588	52.7
121.10130	40.8
123.11730	42.3
125.09589	4.7
131.08578	20.4
133.10136	41.5
135.11676	28.8
137.09651	6.9
137.13223	15.7
139.11205	31.3
143.08548	8.8
145.10117	31.8
146.89880	3.5
147.11667	35.5
149.13271	19.2
153.12749	3.4
157.10139	20.4
159.11690	40.3
159.82011	3.8
161.13283	28.5
163.14815	14.9
165.12746	3.9
167.92860	3.9
169.50928	3.7
170.10954	3.7
171.11665	16.7
173.13295	29.7
175.14806	18.1
177.16313	3.8
181.15845	3.9
185.13252	17.3
187.14833	19.3
189.16360	14.4
191.14334	6.1
191.17949	8.6
199.14844	12.5
200.15303	3.7
201.16374	11.3
203.14268	5.0
203.17970	13.0
213.16406	14.3
215.17958	12.8
217.19534	5.8
227.17879	8.3
229.19505	8.5
231.20929	5.7
233.18993	9.8
245.18939	7.9
247.20525	5.4
255.21193	7.8
257.22693	7.6
259.20541	9.3
269.22498	8.0
271.20508	5.6
273.22083	4.8
281.29050	4.2
283.24091	7.0
285.25745	5.4
297.26010	5.5
308.96729	4.2
341.28433	3.7
351.14264	3.7
407.36768	5.0
425.37762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Nervisterol
Peak:m/z	Relative Intensity
50.24401	3.0
53.03932	4.7
55.05514	29.8
57.07061	10.0
67.05508	34.6
69.06733	4.2
69.07074	60.3
70.62692	10.4
71.04979	11.8
71.08631	4.8
79.05498	20.5
81.07061	72.6
83.08617	19.4
84.02428	3.0
85.06086	4.5
85.06547	56.9
85.10191	3.4
89.50927	2.7
91.05481	18.6
93.06591	3.2
93.07062	40.5
95.08613	88.4
97.06529	8.6
97.10156	12.0
99.08072	5.7
105.07038	38.5
107.08603	52.1
109.10165	100.0
111.08090	3.7
111.11689	5.0
113.09625	3.3
117.07011	5.3
119.08581	35.6
121.10145	43.9
121.36087	3.4
123.11690	35.7
125.09619	4.4
127.11190	6.3
131.08536	17.7
133.10135	34.1
135.11699	37.6
137.09610	4.9
137.13246	10.9
139.11168	13.5
143.08542	8.6
145.10158	24.8
147.11673	29.2
149.13257	22.2
151.14774	6.2
153.12851	3.8
157.10103	13.6
159.11697	36.8
161.13272	24.6
163.14844	16.8
165.09131	5.6
165.12781	5.2
169.10143	3.0
171.11711	12.9
173.13263	20.7
175.14838	12.1
177.16302	3.8
183.11607	3.3
185.13228	8.5
187.14839	13.8
189.16336	14.7
191.17964	12.4
199.14836	11.9
201.16360	15.4
203.17992	18.1
205.19513	6.3
213.16365	11.0
215.17935	15.5
217.19492	11.2
227.17961	7.8
229.19542	9.1
231.20987	3.0
233.18967	5.1
241.19383	3.5
243.21120	8.8
247.20610	7.1
255.21083	5.7
259.20789	7.6
259.24139	3.6
269.22540	4.2
273.22162	6.0
283.24368	4.2
287.23663	4.5
297.25781	7.5
299.27249	3.2
311.27399	4.9
313.25174	3.1
325.28680	7.0
383.33008	5.3
407.36493	7.0
425.37784	96.8
426.37881	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.20998	2.6
53.03954	4.0
55.05513	19.0
57.07065	9.2
64.84440	2.4
66.75808	2.4
67.05170	4.5
67.05501	39.7
69.06765	2.6
69.07071	24.7
69.19091	24.9
69.19495	3.9
71.08624	2.8
79.05502	16.4
81.06595	5.1
81.07056	78.0
83.08609	15.1
91.05502	16.3
93.07049	43.5
95.08608	100.0
97.06512	5.9
97.10165	8.0
105.07028	35.3
107.08595	69.9
109.06530	3.3
109.10164	84.9
111.08059	3.5
119.08576	42.6
121.10140	55.2
123.08071	3.9
123.11703	28.1
125.09599	6.7
130.96768	2.4
131.08548	6.7
133.10136	34.2
135.11707	40.2
137.13252	21.0
140.64630	2.9
145.10106	16.0
147.11699	36.0
149.13277	36.6
151.14822	3.8
159.11708	14.7
161.13254	33.1
163.14824	25.8
165.12753	4.1
171.11694	3.5
173.13293	9.1
175.14792	17.3
177.16376	12.2
179.14253	7.5
187.14810	8.1
189.16403	17.2
191.17938	41.1
201.16428	13.2
203.17979	27.3
205.19495	13.4
207.17445	5.6
213.16351	3.3
215.17900	13.1
217.19485	32.3
229.19536	3.2
233.19014	5.5
235.20450	3.7
245.22623	3.3
250.41533	3.4
257.22665	4.6
271.24298	3.5
299.27277	3.6
376.53076	2.9
407.36826	18.5
425.37836	60.7
426.37924	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03949	2.7
55.05518	19.6
57.07074	5.9
63.67226	2.3
67.05509	34.7
69.07069	27.7
69.42419	12.6
69.42834	7.4
71.04967	3.2
79.05482	18.8
81.07059	68.6
83.08619	8.3
85.06572	3.6
91.03133	2.8
91.05466	20.6
93.07049	41.8
95.08611	97.0
97.06544	4.7
97.10141	9.5
98.21091	9.1
105.07034	40.0
105.22992	2.8
107.08594	70.0
108.08942	2.4
109.10163	100.0
109.56398	2.5
111.11684	4.4
119.08582	46.7
121.10149	53.4
123.11725	34.5
124.72188	2.8
125.09639	5.7
131.08583	8.9
133.09160	4.1
133.10129	36.1
135.11690	50.3
137.13220	15.0
143.08408	3.2
145.10120	12.5
147.11684	35.4
149.13260	29.7
157.10147	3.4
159.11678	18.7
161.13257	39.3
163.14832	21.1
165.16389	2.8
173.13208	12.5
173.68643	3.1
175.14880	18.7
177.16397	7.3
179.14371	5.1
187.14851	9.9
189.16370	23.6
191.17957	34.2
199.14703	5.3
201.16368	10.6
203.17966	46.5
205.19460	15.2
207.17429	11.5
213.16418	3.1
215.17966	16.9
217.19513	40.1
221.19019	4.4
229.19664	3.5
231.21075	6.3
233.19078	3.3
241.19505	3.5
245.22531	4.6
255.21175	4.1
257.22684	3.3
271.24139	3.9
273.25818	3.3
297.25623	4.7
407.36746	24.0
425.32343	5.2
425.37827	77.5
426.37967	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03930	2.4
55.01879	2.9
55.05511	16.2
57.03429	1.8
57.07060	6.9
63.10600	1.6
65.03944	1.8
67.05504	39.3
69.03434	2.6
69.07070	28.6
69.21846	4.2
69.22259	12.4
71.08636	3.9
76.15087	1.6
77.85931	1.3
79.05486	20.9
81.07054	71.8
83.08627	15.0
85.06527	2.1
91.05464	16.1
92.48001	1.6
93.07043	47.1
95.04971	1.8
95.08604	100.0
96.08953	1.8
97.06513	5.4
97.10147	9.6
98.09657	1.5
105.07026	36.6
105.07700	2.8
107.08595	69.8
109.10152	88.5
111.08103	5.3
111.11726	2.7
117.07003	2.7
119.08578	38.9
120.08958	1.9
121.06506	1.7
121.10139	57.1
123.08124	2.7
123.11700	37.1
123.12585	2.2
125.09617	5.8
127.11161	3.1
129.07045	2.7
131.08580	6.8
131.32352	1.6
133.10130	34.5
134.10408	1.6
135.08104	2.0
135.11684	45.6
136.21394	1.4
137.13264	18.9
137.18900	1.8
143.08504	1.8
145.10100	12.7
147.11674	36.0
149.13251	38.7
151.03914	2.6
151.14796	3.9
157.10178	3.1
159.11702	17.7
161.13246	29.8
161.14471	2.8
163.14828	21.9
165.12787	1.8
165.16359	1.9
171.11728	3.9
171.19362	1.6
173.13319	8.7
175.14830	12.1
177.16412	10.4
179.14352	5.8
179.85681	1.5
185.13216	2.3
187.14772	8.4
189.16377	20.6
191.17941	41.6
194.34431	1.6
199.14870	2.2
201.16356	13.5
203.17943	30.2
205.15855	2.1
205.19510	10.8
207.17455	5.0
215.17863	8.9
217.19513	33.9
219.17368	2.1
219.21101	5.4
221.19006	2.6
227.17987	2.2
229.19534	4.9
231.21014	2.0
233.19106	3.8
235.20601	4.3
241.19707	1.9
243.21117	3.2
245.22691	4.1
249.93883	1.5
255.21191	2.3
257.22675	3.4
269.22687	2.7
270.83133	1.6
271.24402	1.9
285.26007	2.2
299.27338	2.6
307.79681	1.6
315.49805	1.7
329.28552	1.9
351.14429	8.6
407.36774	18.3
425.18103	5.9
425.37769	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	425.3776
Annotation	Nervisterol
Peak:m/z	Relative Intensity
55.05512	20.5
57.03431	6.1
57.07086	17.7
67.05240	3.0
67.05514	35.1
67.85662	3.3
69.07072	41.9
70.75674	9.8
71.08630	11.9
79.05492	20.8
81.07056	68.5
83.08618	17.9
85.06541	6.3
85.10171	6.7
86.80578	3.5
91.05484	17.0
93.07053	41.9
95.08613	94.7
97.06580	4.0
97.10156	9.4
105.07053	24.8
107.08596	70.3
109.10155	88.3
111.08105	10.8
111.11650	4.5
117.06999	4.9
119.08574	36.3
121.10133	56.4
122.08870	4.1
123.08070	9.0
123.11720	38.1
131.08559	13.9
133.10104	31.6
135.11699	39.1
137.09621	7.9
137.13234	24.3
145.10124	17.8
147.11688	27.0
149.13228	26.6
151.14798	10.6
157.10156	9.4
159.11682	16.9
161.13292	22.5
163.11186	3.5
163.14847	19.1
165.09113	15.7
165.16402	4.1
171.11697	6.4
173.13275	16.8
175.14835	11.8
177.16350	7.0
179.14290	4.6
179.17868	4.9
185.13263	4.3
187.14801	12.2
189.16374	15.6
191.14365	5.3
191.17949	5.9
193.19511	11.7
199.14902	4.4
201.16479	8.0
203.17886	9.4
205.15805	6.0
205.19539	7.4
213.16434	6.4
215.17992	7.7
217.19586	7.4
219.17613	4.2
219.21048	15.9
227.17978	8.4
229.19545	14.5
231.21091	5.0
233.22583	5.3
241.19730	5.6
247.24277	4.1
255.21150	7.1
257.22717	4.6
259.20499	6.4
261.25708	4.1
281.22635	4.8
299.23807	7.6
313.25113	3.7
331.50980	4.5
383.01053	3.8
407.37112	17.4
425.32407	6.3
425.37836	100.0
444.47638	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	16.3
57.07073	11.4
67.05504	35.2
69.07072	40.8
70.89811	9.3
70.90148	5.0
71.04987	4.5
71.08641	4.5
79.05483	34.7
81.06590	6.9
81.07051	86.6
83.08611	22.5
85.59425	4.3
91.05488	25.2
92.34841	4.8
93.07051	52.8
95.08609	100.0
97.10204	8.9
105.07035	45.6
107.08597	73.6
109.06476	5.4
109.10160	90.4
111.08044	8.4
111.11745	8.2
117.06994	9.4
119.08575	52.9
121.09299	4.0
121.10139	78.6
123.11696	53.7
127.11177	5.5
131.08574	12.8
133.10127	48.2
135.11696	44.8
137.13261	19.5
145.10088	23.3
147.11688	50.6
149.13281	33.5
157.10223	6.2
159.11679	26.9
161.13274	35.3
163.14816	18.9
171.11646	8.5
173.13260	12.0
175.14857	18.2
177.16373	12.8
185.13249	8.2
187.14822	15.9
189.16412	18.8
191.17868	23.3
199.14865	7.5
201.16339	15.0
203.17953	28.2
205.19577	5.8
213.16348	6.0
214.17029	5.3
215.17918	16.4
215.61748	4.5
217.19525	20.1
219.21065	6.1
229.19537	17.4
231.21169	6.9
241.19447	8.8
245.18942	4.9
247.20657	5.2
255.21127	6.8
259.20605	6.7
269.22675	6.2
283.24423	5.1
297.25644	4.6
407.36755	22.5
425.37964	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	425.3778
Annotation	Nervisterol
Peak:m/z	Relative Intensity
54.95977	3.1
55.05507	14.5
56.77508	2.9
57.07063	14.0
60.53028	3.0
67.05508	30.4
67.44908	2.8
67.81254	2.9
69.07071	45.1
73.37076	3.2
79.05497	18.5
81.07063	54.9
83.08637	15.0
91.05456	16.1
93.07036	42.3
95.04965	4.7
95.08604	90.6
97.10165	6.0
98.20740	7.6
100.55663	2.8
105.07034	43.2
107.08601	60.1
109.10160	71.5
111.11742	7.7
117.07005	4.6
119.08582	43.1
121.10149	51.6
123.11701	32.6
131.08588	16.1
132.00400	2.8
133.10126	36.1
135.11691	35.1
137.13264	10.6
143.08600	8.4
145.10120	18.7
147.11681	42.2
149.13246	26.0
155.80182	3.2
157.10172	8.2
159.11676	22.0
161.13234	37.2
163.14871	21.2
171.11749	9.0
171.54733	3.2
173.13240	18.5
175.14815	19.2
177.16406	7.9
185.13297	5.2
187.14792	21.0
189.16354	15.5
191.17929	17.6
199.14851	6.3
201.16431	12.6
203.18018	29.6
205.15907	3.4
205.19553	10.5
213.16422	4.3
215.17972	11.0
217.19499	24.3
219.21017	3.8
227.17995	7.3
229.19543	10.4
231.21088	5.8
241.19531	4.7
243.21227	3.3
245.22659	4.5
255.21271	5.1
259.24216	4.5
269.22833	4.6
281.22586	3.5
283.24039	3.3
287.23853	3.5
295.24255	5.9
297.25754	4.2
299.23917	4.1
312.10779	3.2
313.25525	4.6
315.26929	4.5
407.36606	33.8
425.37817	100.0
426.38336	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03939	4.1
55.05510	17.7
57.07071	24.8
59.05001	2.7
62.37619	2.5
67.05506	25.4
69.07069	45.3
70.62915	6.8
70.63278	3.6
71.08631	16.1
75.39384	3.0
79.05483	22.0
81.07057	71.5
83.08631	19.8
85.06538	3.3
85.10181	12.8
91.05479	15.0
93.07044	44.2
95.08610	100.0
97.06527	6.2
97.10179	10.9
99.11739	5.4
102.05823	2.6
105.07031	44.3
107.08595	74.1
109.10157	74.1
111.11733	6.9
117.07043	4.8
118.17760	2.8
119.08585	49.5
121.10145	60.5
123.11724	41.5
125.09606	6.3
131.08586	8.6
133.10149	32.9
135.11700	47.6
137.13268	14.7
143.08629	3.9
145.10110	17.3
147.11681	36.9
149.13261	32.6
151.14806	5.1
156.09444	3.3
157.10170	6.1
159.11720	22.8
161.13258	26.5
163.14879	18.9
173.13234	15.8
175.14828	20.1
177.16502	6.3
185.13277	5.2
187.14812	11.3
189.16389	23.3
191.17964	38.5
199.14789	3.9
201.16386	19.3
203.17986	29.1
205.19545	12.2
207.17477	4.5
213.16299	5.8
215.17920	10.2
217.19539	22.1
219.21080	8.2
221.33910	3.0
227.18069	5.8
229.19507	13.1
231.21149	7.1
233.19031	3.5
241.19539	7.1
243.21016	4.3
245.22690	5.0
247.20653	6.9
252.19283	3.4
255.20895	4.2
256.11273	2.6
257.22650	4.5
259.20541	5.8
269.22665	4.8
271.24161	3.4
276.99265	3.1
285.25656	3.6
391.85678	3.3
407.06830	3.5
407.36826	31.7
425.37851	86.4
444.03302	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	425.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	46.2
60.04505	1.5
61.06273	1.1
70.06593	3.3
70.25694	3.9
71.95256	3.0
84.08110	1.7
84.25032	1.2
84.96037	13.7
97.02853	1.5
98.97581	100.0
110.97558	26.3
112.99123	7.6
116.98617	38.8
120.08077	3.2
123.04420	3.5
124.99081	3.1
126.97048	3.0
128.98607	21.1
131.00162	5.0
134.07295	1.3
134.99675	9.4
135.04396	1.3
139.03873	2.4
140.98576	3.7
143.00146	16.3
144.98070	3.4
146.99673	7.1
147.04355	3.3
149.01167	1.4
152.98618	2.1
158.99632	9.2
161.01231	22.5
162.99147	2.9
163.03900	2.3
170.99663	7.6
177.00702	11.3
177.05429	1.7
179.00185	1.2
179.02263	3.7
182.99594	2.4
183.43362	1.3
189.00711	3.9
194.99762	2.8
195.01575	1.4
195.03317	2.2
195.04942	1.3
201.00677	9.2
203.00125	2.5
209.01222	1.4
211.02814	2.0
213.00774	3.1
213.04292	1.5
219.01772	38.7
221.01192	7.3
237.02808	39.7
239.02257	38.2
245.02005	1.3
245.04515	5.3
251.05441	1.3
255.03737	1.9
257.03305	21.6
262.04031	1.5
263.02173	2.1
269.04675	2.1
279.03906	2.1
281.03320	5.1
287.05331	1.3
293.03455	4.1
299.04926	1.9
305.03278	3.7
307.04926	4.0
317.03317	8.0
323.04300	1.6
335.04440	2.0
341.06219	1.7
347.04410	5.6
365.05411	16.0
379.08295	3.2
383.06482	21.9
401.07541	5.4
407.07599	8.2
425.07593	54.6
425.19452	2.8
443.08698	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	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
55.05491	1.1
62.87668	0.7
69.03413	1.4
69.07038	0.9
70.06600	5.2
71.49511	1.2
72.08141	3.1
81.07053	1.2
84.04487	1.7
84.08136	4.6
85.02895	1.1
86.09679	2.6
91.05458	3.1
93.07039	0.8
95.08596	0.9
97.02872	1.0
98.97540	1.1
100.55685	0.7
107.04929	1.6
107.19644	0.7
108.05261	0.8
109.02856	0.9
110.07138	1.9
120.08076	1.0
123.04398	2.8
129.10252	2.7
135.04372	2.2
136.06201	4.1
139.03880	5.1
140.04233	2.7
147.04393	2.6
151.02075	1.1
151.03899	1.2
152.02499	1.1
155.01956	0.8
163.03894	2.4
175.03877	0.8
179.03542	1.2
189.05603	0.7
197.02708	1.4
198.02934	1.9
213.12320	0.8
234.02902	0.7
237.95750	0.9
245.04456	2.9
246.99310	0.8
257.04376	1.0
270.05234	1.3
275.05573	0.7
286.07397	2.2
287.07727	3.3
293.10129	1.3
299.04514	0.9
311.09708	1.6
318.04962	0.9
323.05679	1.1
341.06390	1.5
343.99725	1.6
379.08221	1.4
397.69131	0.7
399.80048	1.0
407.07651	2.9
425.09161	4.2
425.14096	100.0
426.14966	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	3.0
55.01876	1.8
55.05509	16.2
57.07080	7.5
64.80827	1.2
65.03928	2.7
67.05505	33.5
69.03430	1.8
69.07070	28.6
71.04980	2.0
71.08629	3.3
79.05497	20.9
81.07059	69.4
83.08623	12.4
85.06546	3.9
85.10181	1.5
91.05484	13.4
93.07050	43.6
95.01320	1.9
95.04987	3.8
95.08609	100.0
97.06530	6.5
97.10161	9.0
98.20791	2.8
98.21471	4.5
99.08082	2.1
105.07033	35.8
107.08597	64.6
109.06513	1.3
109.10161	79.1
110.10499	1.6
111.08100	4.4
111.11739	3.7
117.07045	3.2
119.08585	38.1
121.10149	53.7
123.08114	3.9
123.11706	28.9
123.12586	1.8
125.09631	8.1
127.11226	2.8
129.07057	1.9
131.08607	7.4
133.10138	30.1
135.08112	1.8
135.11697	39.1
137.09615	1.8
137.13261	25.1
139.11211	1.6
143.08569	2.4
145.10123	12.9
147.11699	28.3
147.12822	2.3
149.13263	29.6
149.14394	2.0
151.07513	1.4
151.11214	2.1
151.14838	3.5
157.10170	3.2
159.11707	15.9
161.13264	20.4
163.14839	19.2
163.16129	1.6
165.09146	4.2
165.12769	2.4
171.11754	2.9
173.13264	8.2
175.11267	1.3
175.14810	13.5
177.16388	8.2
179.14359	6.4
179.17958	1.1
185.13319	2.1
187.14850	8.8
189.16353	17.8
191.17949	34.9
191.19630	2.1
199.14905	1.6
201.16397	12.0
203.17960	24.1
205.15990	3.0
205.19502	11.0
207.17503	4.3
213.16357	1.4
215.18021	8.6
217.19528	24.8
219.17624	2.2
219.21132	3.4
221.18993	2.0
227.18007	3.2
229.19543	4.3
231.21191	3.2
233.19109	3.2
235.20551	2.4
241.19440	1.5
243.21164	3.2
245.22665	2.8
255.21205	2.2
257.22488	5.5
269.22736	1.5
271.24277	2.4
285.25919	1.6
297.25818	3.2
299.27386	2.7
299.57776	1.2
328.80106	1.1
351.14389	2.1
356.25629	1.3
369.31650	1.8
407.36743	16.5
425.17987	6.1
425.37885	54.3
426.37839	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	424.2844
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03941	1.9
55.05521	5.3
57.07069	3.0
59.04995	1.4
65.03939	2.0
65.22929	1.0
67.05508	11.4
68.05032	11.6
69.03416	1.0
69.07069	5.9
69.34018	7.9
70.06594	26.8
70.41782	1.0
70.48643	1.1
79.05502	12.6
80.04595	1.1
80.05012	6.8
81.07061	13.9
82.06595	5.5
83.08633	2.4
85.06556	2.3
86.09676	1.1
91.05486	19.2
93.07046	17.5
94.06552	1.9
95.04964	6.9
95.08612	11.8
96.08133	6.6
97.06552	1.3
97.10201	1.4
98.20751	2.1
100.07614	15.7
103.05487	1.7
105.07034	34.0
107.08601	13.7
108.08121	6.8
109.06516	1.5
109.10142	6.2
110.09636	1.2
114.05553	8.1
115.05463	2.6
116.07059	2.5
117.07045	11.0
119.05964	1.0
119.08581	23.1
120.08110	3.4
121.06515	1.4
121.10152	9.9
122.09660	3.5
123.08063	1.1
123.11782	2.2
126.09229	2.5
128.06218	2.7
128.07069	19.5
129.07002	5.5
130.07809	3.3
131.08574	19.1
133.10133	15.1
134.09599	3.4
135.08067	4.6
135.11702	3.3
137.09624	2.0
141.06888	1.6
142.07748	3.5
142.08705	9.5
143.08566	15.5
144.09285	1.3
145.10121	19.8
146.09634	2.3
147.08018	1.4
147.11693	3.6
148.11174	7.4
149.09612	1.7
149.15285	1.1
154.08659	32.9
155.08595	4.6
156.09340	4.5
157.10156	13.0
158.10933	3.1
159.11708	8.2
160.11240	2.1
164.07074	4.1
165.06932	1.3
166.08714	1.3
167.08676	1.9
168.10283	8.8
169.10115	7.8
171.11748	5.5
172.11259	2.5
173.11931	1.8
173.13277	13.0
174.12830	4.6
175.14865	1.9
178.08635	7.4
179.08524	1.8
180.10243	1.5
181.10211	1.8
183.11745	4.0
184.11139	2.4
184.12607	2.1
185.13298	3.6
186.12782	2.6
187.14870	2.6
192.10210	3.3
194.11806	19.9
195.11774	1.8
196.12540	1.2
197.13290	3.8
199.14883	5.2
200.14450	1.3
201.16425	2.1
204.10217	1.5
209.13248	5.2
211.14963	1.3
216.10204	2.8
217.15900	4.2
218.11804	4.7
219.12675	1.8
220.13383	6.1
221.13344	1.8
223.14871	2.0
232.13365	3.0
235.14839	1.9
258.15094	1.3
265.19440	1.6
272.20255	1.2
284.16434	2.1
286.18042	3.9
302.17545	2.3
309.22244	2.3
314.21097	10.7
317.19797	1.4
332.22195	100.0
333.22556	2.4
373.62604	1.4
406.27393	14.9
424.28494	89.2
425.29086	2.0
446.89688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96538	0.9
61.89999	0.3
64.82716	0.3
66.26120	0.3
69.82507	1.6
71.95252	0.5
74.13512	0.3
74.93135	1.0
84.53966	0.3
96.07374	0.3
98.97590	13.6
101.00854	0.3
116.97849	0.4
116.98628	6.4
117.98904	0.4
119.01910	0.7
134.99672	1.8
135.36328	0.3
136.93123	0.6
143.01898	0.5
154.94279	0.3
155.01822	0.5
161.02959	0.8
172.86301	0.3
173.02985	0.6
176.96254	0.3
177.00949	0.7
180.96806	0.5
185.02953	0.6
190.87346	0.9
192.98874	0.9
194.05095	0.3
194.97261	0.6
197.02991	0.4
198.97871	1.9
199.97939	0.5
203.04033	0.4
208.88409	1.1
212.98338	0.4
214.86374	0.4
216.98952	8.5
217.99048	0.6
219.01984	0.6
222.97678	1.8
226.89474	0.6
230.95001	0.7
232.96727	0.4
235.00015	12.2
236.00122	0.9
240.98927	14.9
241.99062	1.5
245.05090	2.5
248.91495	0.7
248.96054	0.4
253.01147	1.8
255.97662	0.3
256.96771	0.8
258.99994	51.3
260.00027	7.9
260.99829	1.3
261.03107	0.9
263.02811	0.8
263.05966	0.4
264.03165	0.4
264.98782	3.4
265.99054	0.4
266.92603	0.7
273.98685	2.3
274.97580	1.6
277.01016	25.9
278.01068	4.7
279.00772	1.1
282.01703	0.4
283.00003	100.0
284.00113	9.5
284.99930	0.9
285.99884	0.4
291.99780	0.9
292.99210	0.4
298.97766	1.3
299.97928	0.5
300.02524	0.4
301.01062	90.2
301.97791	0.6
302.01172	9.4
303.01135	1.3
316.98776	1.5
317.98724	0.5
318.98904	0.6
319.02121	2.9
322.98080	0.4
324.02707	1.8
329.93033	0.3
353.48608	0.3
359.00150	1.2
364.99207	1.1
376.93445	0.5
382.99960	1.7
384.00061	0.8
400.93478	0.5
401.01251	4.4
402.01196	2.6
403.00995	0.6
407.00113	5.2
408.00079	0.5
425.01181	53.0
426.01324	6.5
427.01416	0.5
440.99155	0.4
443.02274	79.1
444.02444	10.6
445.02429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	11.6
69.03431	13.6
69.07066	18.8
69.96073	53.6
70.06580	51.1
72.08167	16.2
74.06087	18.7
83.08613	15.4
84.04494	36.5
84.08131	37.3
85.02899	27.5
86.09715	59.7
88.03978	12.6
91.05523	17.4
95.08605	17.9
97.06537	12.7
102.05582	13.2
107.04928	18.1
109.06508	27.4
109.10144	14.3
109.51619	10.3
119.04914	14.7
120.08086	32.8
121.10131	19.6
123.04404	15.9
131.08604	14.6
133.10123	27.0
135.07893	11.6
136.07571	21.9
147.04428	72.0
147.11690	11.2
149.13232	12.3
151.11128	29.8
158.06076	11.9
163.03986	15.1
167.14346	20.2
173.13248	25.1
191.14314	22.0
209.15364	100.0
245.04501	26.5
262.12787	12.7
299.65137	13.4
407.07422	22.6
424.16785	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	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03952	1.4
55.01862	1.3
55.05516	12.8
57.07065	4.6
59.05008	1.5
60.29660	1.2
65.03933	1.3
67.05506	24.6
67.42133	1.1
69.07070	27.7
69.46484	8.9
71.05005	2.1
71.08613	1.4
77.03895	1.4
79.05492	11.8
79.23447	1.4
81.07056	35.9
83.08620	10.1
85.06524	1.9
91.05470	13.0
93.07046	27.3
95.04954	2.7
95.08608	47.9
97.06516	2.2
97.10159	5.5
98.06000	1.3
99.08097	2.7
105.07030	27.8
107.08592	40.6
109.10160	46.4
111.08072	2.3
111.11701	2.5
117.06995	6.4
119.08580	30.8
121.10139	30.1
123.11711	16.1
125.09646	2.5
125.96342	1.3
128.06209	1.3
129.07022	3.4
131.08563	12.7
133.10138	24.6
135.08005	1.6
135.11696	17.9
137.13274	6.9
143.08553	7.4
145.10127	19.2
147.11684	20.2
149.09644	1.5
149.13263	12.2
155.08578	2.1
157.10147	12.2
158.10933	1.9
159.11690	21.7
161.09642	1.6
161.13248	20.6
163.14822	10.4
165.12802	3.8
169.10146	4.5
170.10944	1.9
171.11661	9.5
173.13269	13.4
175.14876	13.5
175.29816	1.2
177.16367	8.0
183.11696	4.6
184.07130	1.5
185.13254	9.7
187.14841	13.7
189.12640	1.2
189.16396	14.3
191.17909	11.2
193.15889	1.6
197.13295	3.6
199.14810	6.6
201.16391	13.1
203.17984	5.7
205.15822	2.9
205.19521	1.8
211.14803	3.4
213.16382	7.5
215.18005	10.0
217.15939	1.8
217.19478	8.8
225.16371	2.2
227.17975	5.0
229.19490	8.2
231.17490	2.9
231.21088	7.6
233.19182	1.3
237.16299	1.9
239.18001	3.6
241.19530	4.8
243.21024	8.4
245.19002	2.2
245.22737	5.0
253.19453	2.9
255.21111	3.3
257.19064	1.9
257.22592	2.6
259.20581	1.5
267.21127	3.3
269.22568	5.8
271.20636	2.0
271.24167	1.9
273.22369	1.8
281.22577	2.2
283.24149	6.2
285.22198	2.5
293.23038	1.3
295.24213	2.9
297.22601	2.1
297.25769	11.2
299.23834	2.2
309.25851	2.5
311.23682	5.6
321.26108	1.4
323.27374	2.1
341.28564	1.7
349.29050	3.7
367.30231	2.9
405.35147	21.1
406.35623	1.6
423.36276	100.0
424.36639	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	423.3622
Annotation	Glochidone
Peak:m/z	Relative Intensity
50.42576	1.9
53.03945	2.2
55.05512	10.2
57.03431	3.4
57.07067	8.3
65.03917	2.1
67.05506	23.5
69.07072	21.4
69.46657	10.8
69.47065	3.8
71.04998	2.7
71.08635	3.7
79.05501	11.6
81.06593	3.7
81.07050	48.2
83.08611	10.0
85.06519	3.8
85.10181	2.1
91.05484	15.3
93.07039	30.8
95.08607	54.2
97.06506	3.1
97.10165	4.7
105.07030	28.5
107.08586	39.0
109.06520	2.3
109.10158	46.3
111.08079	6.3
111.11747	2.3
113.82223	1.9
117.07012	5.6
119.08582	36.2
121.10143	34.4
123.11699	20.1
125.09650	4.5
129.07022	2.9
131.08562	15.2
133.10129	25.9
135.11708	25.6
137.09615	3.2
137.13245	8.1
143.08571	9.9
144.09341	2.1
145.10127	20.2
147.11691	21.7
149.09547	2.1
149.13248	18.5
151.11151	4.0
155.08588	3.0
157.10136	13.9
159.11678	23.2
161.13248	21.1
163.14798	14.4
165.12746	3.0
169.10121	4.4
171.11696	8.9
173.13263	16.1
175.13513	2.1
175.14798	11.3
177.12747	2.5
177.16479	9.4
179.14343	2.7
183.11751	4.7
185.13321	11.4
185.14767	2.2
187.14848	12.2
189.16313	9.8
191.18034	5.9
197.13292	4.3
199.14830	6.1
201.16364	9.8
203.14325	4.4
203.17970	8.7
205.15865	3.0
205.19641	3.7
211.14804	4.6
213.16412	7.1
215.17975	7.0
217.16132	1.9
217.19493	10.6
225.16367	3.1
227.17993	5.2
229.19556	8.1
231.21086	4.3
239.18231	2.2
241.19525	5.1
243.21066	4.2
245.19020	2.7
253.19586	4.7
257.19193	2.6
257.22498	4.8
258.50903	1.9
267.21143	5.6
269.22705	9.0
271.20679	2.3
271.24197	4.6
273.25635	1.9
281.22791	3.9
283.24265	5.3
285.25766	2.3
291.40646	2.1
295.24258	2.4
297.22418	2.9
297.25769	2.4
311.23657	2.7
313.25433	3.2
323.27441	2.2
349.29025	2.3
365.32062	2.3
367.30124	2.5
405.35059	19.6
423.36252	100.0
424.36597	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Glochidone
Peak:m/z	Relative Intensity
51.28536	2.5
53.03939	2.8
55.05514	11.9
57.07067	9.5
66.38596	2.5
67.05511	25.2
69.03433	3.3
69.07066	26.2
69.27061	22.8
71.08597	2.6
79.05485	16.7
81.07055	45.7
83.08625	13.2
89.06006	2.9
91.05502	11.6
93.07043	32.1
95.08603	53.8
97.06549	4.1
97.10186	4.4
105.07032	33.4
107.08588	43.1
109.10153	51.4
111.08082	4.7
117.07016	5.7
119.08585	32.9
121.10147	31.8
123.11721	17.9
125.09621	3.2
131.08574	13.0
132.74500	2.2
133.08618	2.9
133.10141	35.5
134.03909	2.2
135.11720	19.0
137.09616	3.0
137.13258	10.7
138.87582	2.4
143.08591	7.7
145.10124	22.5
147.11696	30.2
149.13248	15.5
151.14838	3.2
152.22560	2.5
156.09286	3.2
157.10179	9.2
159.11684	19.2
161.13245	25.6
163.14801	12.9
165.12807	4.0
169.10159	2.6
171.11717	12.0
172.16638	2.4
173.13223	13.2
175.14801	20.2
177.16452	8.0
183.11742	3.6
185.13298	9.9
187.14774	15.4
189.16455	10.0
191.18019	8.4
193.15901	2.9
197.13310	3.9
199.14828	5.5
201.16399	13.1
203.17960	18.3
205.19482	5.9
211.14883	2.8
213.16373	12.9
215.17964	10.1
217.19527	8.5
219.17448	4.0
225.16437	4.4
227.17972	8.3
229.19547	9.6
231.17482	3.4
231.21103	8.4
239.17900	3.4
241.19553	3.0
243.21161	6.7
245.22731	6.4
255.21082	5.7
257.18951	3.0
257.22763	4.8
267.21014	4.3
269.22733	10.0
271.20587	3.2
271.23734	2.3
281.22763	2.6
283.24173	4.0
295.24191	5.8
335.14401	2.4
349.29163	3.8
367.16519	3.2
395.33527	2.9
405.35245	22.6
423.36307	100.0
424.36646	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	423.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96307	0.4
71.13995	0.9
75.25909	0.3
85.66335	0.4
101.04276	0.6
131.95586	0.4
137.62717	0.4
150.01181	0.4
172.04294	1.6
261.13104	13.0
423.18381	100.0
424.18719	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	423.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
53.85931	1.1
55.01872	1.8
55.05505	6.6
57.03429	1.5
57.07077	1.1
67.05513	16.5
68.99798	2.3
69.03436	6.8
69.07063	9.8
70.06585	7.6
71.04980	4.5
71.49880	1.4
72.08134	1.8
76.87063	1.0
78.42525	1.2
79.05479	4.2
81.03427	24.3
81.07049	13.4
83.04977	10.5
83.08617	3.6
84.04514	1.5
84.08154	2.9
85.02899	9.2
85.06541	2.2
85.18423	1.1
86.09686	5.9
87.00842	2.5
91.05473	7.0
93.07044	9.5
94.57269	1.3
95.04967	3.5
95.08611	21.6
97.02893	100.0
97.06549	1.8
97.10200	1.8
99.04462	3.6
99.08085	2.3
103.27935	1.2
105.07047	7.8
107.08593	16.9
109.02889	35.6
109.03614	2.4
109.06533	6.1
109.10160	68.1
110.10522	1.3
111.04447	1.6
111.08100	3.2
119.08582	28.1
119.09373	2.4
121.06561	2.6
121.10147	11.0
123.04453	3.5
123.08067	13.2
123.11730	5.5
124.07634	1.2
125.09650	1.8
127.03919	57.2
129.06958	1.6
129.10280	2.2
131.08554	1.9
133.10147	13.1
135.11697	59.3
136.07614	1.4
137.09615	11.7
139.11180	1.4
145.04852	1.3
146.40352	1.3
147.11719	2.0
149.09653	1.5
149.13261	4.7
151.11206	7.0
151.14833	7.1
159.08087	1.3
165.05481	1.3
165.09079	1.7
165.16443	1.2
168.09100	1.1
173.09554	1.6
173.13208	2.0
175.14833	25.6
175.16289	1.7
189.12819	1.1
193.15875	43.5
211.16957	16.5
213.03960	13.9
301.18015	1.6
303.13510	1.1
423.20227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	1.2
58.99577	6.5
65.03923	1.1
67.05500	7.0
69.03432	6.7
69.07069	23.6
70.06587	1.6
70.71651	2.6
76.02209	3.9
81.03417	2.1
84.04488	1.4
84.08124	1.8
85.02907	10.0
85.06534	0.9
95.04960	3.7
97.02883	6.1
98.20847	1.0
99.02665	1.7
99.04477	1.0
101.04245	46.4
109.02876	1.7
110.06034	0.9
112.07589	3.8
114.85732	0.9
120.08070	1.3
122.05955	0.9
127.02162	5.3
127.03872	2.5
127.05792	3.7
129.03683	2.5
130.06514	2.1
138.05418	1.7
140.07065	11.6
142.08598	1.3
154.08618	1.1
155.01620	1.9
168.04716	0.9
170.06314	4.5
172.04279	100.0
178.45853	0.9
180.04803	1.2
182.08035	4.3
194.06407	0.8
197.07423	3.2
198.05862	4.9
214.05373	10.4
215.08478	6.3
235.02686	0.9
240.06808	1.1
244.06348	10.3
257.09659	1.5
261.09067	19.7
286.07452	4.0
302.12082	1.3
303.10144	2.8
334.09497	2.7
337.05731	3.0
339.10254	1.2
377.13791	10.4
423.14285	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	423.1431
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
53.03943	0.7
56.05020	0.5
57.03413	0.6
58.99586	5.8
61.01127	0.9
61.02918	1.0
67.05505	6.3
69.03433	4.4
69.07072	15.4
70.06580	0.6
70.88144	0.6
70.88495	1.2
71.04965	0.9
72.62240	0.5
73.02908	0.6
76.02214	3.1
81.03413	1.5
85.02907	8.4
88.03981	0.8
91.03956	0.6
93.07052	0.6
95.04948	2.4
97.02888	4.4
99.02666	2.0
101.04243	44.6
109.02850	1.3
110.06054	0.9
111.02621	0.6
112.07589	2.4
114.00340	0.5
122.02737	1.3
126.05468	0.7
127.02144	5.7
127.03867	1.6
127.05778	1.7
129.03712	2.9
136.07607	0.7
138.05490	0.6
140.07074	9.2
142.06888	0.7
145.04965	0.7
152.05290	0.7
152.07066	0.6
155.01591	1.5
168.04854	0.8
170.06337	2.8
172.04276	100.0
173.04671	1.0
175.04301	0.6
180.04820	2.6
182.08170	3.3
197.07455	3.5
198.05888	5.5
206.08113	1.4
214.05315	9.5
215.08534	6.3
215.51001	0.5
238.05351	1.1
239.08516	1.1
244.06390	8.6
248.09134	0.7
261.09055	18.1
286.07434	2.1
302.12402	1.3
303.10205	2.1
316.08371	0.8
334.09619	4.7
339.10263	0.6
377.13788	7.8
408.07303	0.5
417.74786	0.6
423.14325	44.2
424.14694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27729	1.9
55.05511	6.9
57.07077	95.3
59.05000	41.2
67.05509	9.2
67.96910	1.8
69.07075	12.8
69.46294	12.9
70.07397	3.2
71.08633	100.0
73.02921	34.0
79.05492	3.6
81.07053	7.3
82.07403	2.5
83.08616	8.0
85.10184	85.4
85.29847	2.0
87.04463	4.4
89.06024	2.0
91.05484	5.2
91.42793	1.9
93.07049	19.3
94.07368	6.9
95.08604	19.1
96.08965	2.1
97.06566	2.5
97.10172	5.7
99.11738	11.9
105.07063	4.0
107.08591	5.7
109.10175	8.1
111.08076	9.8
111.11790	2.6
111.28624	2.0
112.08435	2.7
117.09129	13.4
119.08600	3.8
121.10159	4.7
123.08109	1.9
123.11726	3.3
133.10118	4.6
134.10500	2.5
139.07538	11.6
140.07887	4.8
141.16454	5.3
147.11711	2.6
153.09135	3.8
153.12720	1.9
154.09503	2.5
154.38962	2.0
155.17975	3.8
157.10094	2.8
159.11768	2.7
167.10661	3.6
168.11031	3.3
177.79788	2.3
181.12332	2.3
182.12717	2.4
199.20543	13.4
203.17883	2.2
207.13907	3.3
210.15643	3.0
257.24762	9.8
354.31317	2.0
404.36041	24.6
422.37177	67.2
423.36679	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	3.6
58.91983	2.3
68.05010	2.7
69.07089	2.8
70.06598	23.1
70.84147	2.7
70.84490	5.1
71.04987	11.5
72.08139	3.3
74.06063	2.6
79.05505	4.6
81.07050	8.8
83.04966	3.2
83.08655	2.7
84.04497	7.1
84.08147	14.1
85.02912	5.6
86.09710	15.3
87.10030	3.0
93.07035	5.3
95.08609	6.0
97.02856	2.9
99.04460	52.8
105.07027	2.9
107.08607	14.5
109.06509	10.2
110.07167	4.0
116.07148	4.0
118.01218	3.9
120.08121	7.2
121.10143	7.0
123.08068	13.0
123.11707	4.8
125.09618	4.1
129.10233	9.6
136.07596	3.5
149.09636	5.8
151.99474	2.5
165.12772	8.4
167.10692	17.5
171.10077	2.8
183.13785	18.4
207.13692	3.1
213.00850	2.6
225.14851	100.0
226.15311	3.2
243.15829	5.2
275.12384	9.6
319.13699	2.8
422.20203	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33563	1.0
53.03939	1.3
53.83300	1.0
55.05512	2.6
57.07066	2.0
57.56662	1.2
64.73827	1.1
67.05502	1.9
69.03403	1.6
69.07061	2.7
70.06598	13.7
71.31853	2.5
72.08148	4.1
73.46320	1.2
79.05473	2.1
81.03408	1.6
81.07060	8.6
83.06089	1.3
84.04472	1.2
84.08156	5.9
85.02916	11.0
86.09713	8.4
91.05474	3.2
93.07050	5.6
95.08595	4.7
97.02882	2.3
99.04424	1.7
102.81524	1.1
105.07038	44.3
105.53618	1.1
107.08588	9.0
109.10188	2.6
110.07166	3.6
111.11017	1.1
116.07095	3.3
118.36921	1.1
119.08587	54.0
120.08093	3.4
121.10146	14.2
125.09650	1.3
129.10265	4.2
129.57500	1.2
133.10101	6.2
136.07545	2.0
137.09625	2.8
145.04951	1.3
161.05956	1.6
161.13264	100.0
162.13626	1.7
167.72820	1.2
174.04085	1.2
179.14320	30.5
180.14618	1.3
189.12816	1.3
192.36601	1.1
201.15405	1.1
207.13832	16.5
225.14867	49.1
245.09729	1.3
326.01080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
53.55579	0.4
54.81355	0.5
56.05041	0.5
57.03432	0.8
58.99583	0.5
61.02919	1.0
67.05521	0.8
69.03424	2.3
69.07058	1.2
70.06570	1.5
71.47954	0.7
74.00645	0.8
76.02191	0.7
81.03394	2.1
84.04489	1.5
84.08119	1.1
85.02436	0.7
85.02902	6.3
85.21488	0.6
87.05563	0.9
95.04971	0.9
97.02869	2.4
98.97553	0.7
99.04475	0.7
100.02176	1.5
101.04234	2.2
107.04933	0.6
109.02860	0.8
114.05512	0.6
115.02171	2.6
115.54112	0.5
120.01152	1.3
121.06467	0.9
127.02122	1.2
127.03896	1.7
130.05005	0.6
130.06519	1.0
132.04437	0.6
135.04390	0.9
135.59494	0.5
138.05533	1.2
143.01614	17.7
145.04932	0.9
146.02675	2.5
146.06146	0.5
147.03154	0.6
147.04985	0.6
157.07552	0.6
171.01105	100.0
172.01505	1.2
172.04288	6.3
181.04489	0.7
198.99655	0.6
203.01445	0.5
214.05360	1.0
214.07227	0.8
243.03181	1.8
249.04106	0.5
259.07504	1.1
260.05835	13.9
260.08298	1.1
261.09137	1.3
273.08063	2.6
275.09036	0.6
279.32370	0.5
280.13516	0.7
291.09271	1.2
386.08704	0.7
422.13144	3.9
423.09476	0.8
423.14725	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	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
57.07077	1.6
58.20083	1.4
68.65663	1.5
69.03432	4.1
69.07075	2.6
70.06596	14.6
71.04997	2.2
71.48869	2.4
72.08161	3.8
79.05508	2.6
81.03393	1.5
81.07063	8.2
84.04496	2.3
84.08141	7.8
85.02904	10.8
86.06025	1.4
86.09693	7.4
91.05492	5.0
92.40913	1.3
92.70052	1.3
93.07036	8.2
95.08607	3.4
97.02875	3.6
99.04476	1.6
99.08096	2.4
105.07036	39.4
107.04919	2.4
107.08592	6.8
110.07159	2.6
114.75029	1.4
116.07143	2.0
119.04943	2.7
119.08582	56.8
120.08107	3.0
121.10122	16.2
127.03924	2.0
129.10249	7.6
133.10150	4.4
135.11748	1.5
137.05951	3.1
137.09624	2.0
151.07617	1.7
153.09134	2.1
161.05988	1.9
161.13255	100.0
163.07578	2.2
179.14304	35.4
181.08707	1.8
189.09090	1.9
207.13843	19.4
225.14874	56.0
400.48715	1.4
404.00668	1.3
422.21118	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	422.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
62.91452	0.9
67.01854	3.0
67.05476	1.0
68.99789	4.8
69.03436	4.1
69.07050	1.1
70.06593	11.1
70.13486	0.6
70.47916	1.2
70.48306	1.8
71.06910	0.8
72.08145	5.4
74.00640	0.8
79.05498	1.3
81.03410	1.8
81.07043	0.8
84.04505	2.0
84.08152	6.2
85.02900	1.9
85.08005	0.6
86.06043	1.0
86.09700	7.0
91.05453	2.2
95.04961	1.2
96.32676	0.7
97.02882	1.4
103.05447	0.8
105.07056	1.0
107.04936	2.4
109.02876	1.3
109.10155	0.9
110.07159	0.7
111.00791	2.9
111.04425	1.1
115.11674	0.7
118.10180	0.7
119.04964	1.5
119.07282	0.9
119.49220	0.8
120.05714	1.0
120.08066	1.7
120.09370	0.8
121.02850	2.6
121.06529	0.8
121.10148	1.1
123.02672	0.7
123.04437	2.6
123.08008	0.8
129.10217	6.0
132.10242	0.9
133.02831	2.0
133.10207	0.8
135.04407	9.4
136.07570	1.4
137.05957	0.8
147.02625	2.1
147.04437	1.2
149.00578	3.2
149.02312	4.0
149.05824	0.7
150.06758	2.4
150.43385	0.7
151.02119	1.3
151.03880	1.8
153.01830	100.0
154.97995	3.6
161.02365	3.2
163.02271	1.0
163.03918	0.7
165.01837	1.2
167.01599	1.4
171.02866	4.4
171.04440	2.6
173.00580	0.8
175.02124	2.5
177.01834	6.9
177.05516	0.9
179.01680	2.9
179.03381	33.6
181.03175	7.2
182.97443	1.8
187.02177	2.4
193.03200	1.3
195.02974	1.0
197.04427	1.9
199.03915	1.8
201.00047	4.5
202.00786	2.2
203.01500	0.8
205.01340	2.1
207.01135	3.2
207.04790	1.1
209.02756	1.1
210.22983	0.7
215.01653	1.1
216.02409	1.0
216.04317	0.9
217.03046	0.8
218.00363	2.4
219.04689	0.8
223.02368	3.8
223.04263	1.6
225.14825	0.9
227.01627	13.4
229.03079	1.0
229.05064	1.3
230.00339	24.0
231.01031	1.1
232.01907	5.4
233.02727	2.5
233.99847	2.5
235.04144	1.0
240.89886	0.8
241.03134	0.8
242.12259	0.7
243.01060	0.8
244.01955	2.0
245.02684	68.7
246.03049	1.3
247.04218	3.9
248.01472	1.8
249.02144	5.6
253.05313	3.3
255.01114	7.3
256.01843	0.8
257.99863	0.9
260.09329	1.5
263.03741	3.8
270.07892	5.0
272.01376	5.3
272.99188	1.5
273.02148	25.2
277.05362	1.4
279.03311	1.6
283.00604	4.4
284.01135	0.8
285.08499	0.8
291.03357	1.5
296.05893	2.0
300.00842	13.3
305.04724	3.0
315.03204	36.8
318.01773	1.1
327.03290	1.0
333.04260	22.5
341.04803	3.0
355.02335	0.8
359.05814	25.9
376.08487	6.0
387.05356	34.3
405.06424	30.2
415.89267	0.8
422.09082	15.5
422.14694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80756	1.2
53.03948	2.1
55.05512	33.3
57.03446	3.3
57.07079	29.3
62.21663	1.2
67.05504	13.3
69.03432	1.7
69.07069	41.1
69.46568	4.2
69.46994	5.2
71.08630	20.6
79.05500	8.1
81.07055	23.1
83.04981	49.2
83.08617	20.5
85.10182	10.2
89.06042	1.5
91.05481	6.9
93.07050	12.3
95.04987	2.3
95.08605	31.8
95.09183	2.2
97.06557	2.0
97.10184	11.0
105.07046	9.0
107.08593	12.9
109.06500	10.0
109.10167	17.8
111.08097	5.9
111.11749	4.4
117.07004	1.9
119.08592	13.1
121.06548	2.1
121.10137	7.1
123.04481	1.4
123.08060	12.1
123.11700	7.1
125.13252	1.6
131.08600	2.5
133.08638	1.7
133.10110	9.9
135.08075	7.9
135.11717	3.9
137.05983	27.3
137.06953	2.3
137.09660	5.1
137.13255	3.5
139.07565	9.2
143.08582	1.4
145.10172	3.9
146.07314	1.4
147.11684	7.0
149.09636	3.6
149.13264	1.8
151.07607	8.9
151.11163	6.5
151.14815	1.4
153.09047	1.9
155.07063	8.3
157.10191	2.6
159.11714	3.2
161.09618	19.0
161.13225	7.2
163.11255	1.5
165.09160	3.6
165.12808	4.7
171.11703	2.7
173.13338	1.9
174.10422	1.3
175.11186	11.5
175.14931	4.2
177.12790	4.0
179.10712	5.9
179.12061	1.3
179.14403	3.3
185.13220	1.6
187.14810	2.8
189.12785	12.3
193.12296	4.2
193.15854	1.5
203.14349	2.5
207.13869	4.9
221.15453	1.4
227.17926	1.2
229.19659	1.6
245.19160	1.4
277.21667	2.1
316.85345	1.5
357.35208	2.8
375.36212	23.3
385.34637	10.8
403.35727	53.8
404.36154	1.8
421.36823	100.0
422.37057	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3675
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03940	2.8
55.01865	3.0
55.05515	13.4
57.03437	1.1
57.07077	9.3
59.05007	1.0
61.39667	0.8
63.37222	0.6
67.05508	13.1
69.03435	1.0
69.06687	0.8
69.07066	16.8
69.33639	0.7
70.90054	1.6
70.90401	1.1
71.08627	6.1
73.02896	0.8
79.05500	0.9
81.07071	4.7
83.04978	1.6
83.08623	10.7
85.10184	3.6
91.05480	8.9
93.07044	48.0
95.04993	0.9
95.08607	27.8
96.66050	0.6
97.06528	1.9
97.10172	6.0
102.39131	0.7
105.07018	1.5
107.08600	6.6
109.06537	1.8
109.10146	3.5
111.08080	23.1
111.11722	2.3
119.08585	1.5
120.58440	0.6
121.06507	3.4
121.10147	3.0
122.81064	0.7
123.08104	1.9
123.11706	0.9
125.09626	3.0
125.13235	1.0
127.07537	4.0
131.08578	1.1
133.10063	1.2
135.08078	1.9
137.09622	0.8
139.07536	30.6
139.11188	0.9
145.10088	0.9
149.09537	0.9
151.11243	2.0
153.09103	14.0
157.08594	1.7
165.09102	1.0
167.10669	10.2
181.12245	7.6
193.12308	1.3
195.13812	6.4
207.13786	2.0
209.15373	4.2
221.15318	1.5
223.17001	2.5
237.18550	1.5
251.20114	1.3
265.21683	2.1
277.21686	1.1
279.23178	1.1
291.23099	0.9
403.35709	31.8
404.36349	1.2
421.36777	100.0
422.37045	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	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.42449	1.2
53.03948	2.3
55.05518	32.2
57.03441	2.7
57.07083	30.3
67.05509	12.2
68.99807	1.2
69.07074	40.6
69.55705	2.5
69.56116	6.7
71.08643	18.7
79.05492	8.5
81.03423	1.7
81.07059	26.6
83.01350	1.6
83.04987	48.9
83.08621	24.1
85.10188	9.6
89.06046	5.3
91.05486	8.1
93.07050	15.5
93.80194	1.2
95.04994	2.9
95.08611	33.2
95.09179	2.3
97.06564	3.2
97.10171	16.3
98.21473	2.3
99.04467	7.9
105.07063	10.8
107.08601	12.3
109.06538	7.5
109.10161	18.7
109.10838	1.5
111.08090	8.1
111.11740	8.0
115.63540	1.4
117.07044	1.2
119.08586	13.1
119.09248	1.2
119.52171	1.2
121.06547	2.1
121.10149	8.8
123.08079	14.0
123.11713	8.5
125.06064	2.8
125.09665	1.7
125.13319	2.2
127.07576	2.1
129.07076	1.6
131.08565	3.0
133.08617	2.4
133.10118	13.9
135.08041	7.6
135.11717	6.3
137.05983	26.1
137.06950	1.7
137.09601	5.7
137.13310	3.5
139.07541	9.8
143.08662	1.5
144.09448	1.3
145.10175	3.5
147.08055	2.9
147.11702	7.8
149.09691	3.2
149.13292	2.7
151.07588	7.7
151.11186	6.2
151.14833	1.5
153.09088	2.2
155.07042	10.6
157.10152	2.3
159.11774	4.8
160.08955	1.4
161.09628	16.6
161.13226	7.9
163.11281	3.5
163.14882	2.5
165.09152	2.9
165.12830	4.9
171.11763	4.8
173.13365	3.0
174.10440	1.8
175.11162	11.4
175.14925	2.2
177.12839	2.3
177.16446	1.5
179.10744	4.7
179.14355	2.5
185.13289	1.4
187.14857	2.4
189.12752	12.6
189.16438	1.7
191.14343	2.2
193.12308	4.0
193.15852	1.7
201.16394	1.5
203.14375	3.0
207.13858	4.7
213.16499	1.4
221.15515	1.5
227.17908	1.9
245.19165	1.4
245.91075	1.3
259.20529	1.5
263.20227	1.4
264.07822	1.3
277.21780	1.4
291.23380	1.3
357.35196	1.6
375.36224	26.6
379.35870	3.4
385.34698	10.6
387.39709	1.3
403.35751	47.7
404.36447	2.2
421.36862	100.0
422.36984	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72672	1.7
53.03933	2.1
55.01883	1.6
55.05268	2.1
55.05511	28.4
57.03417	1.8
57.07078	32.8
67.05508	15.6
69.07074	38.1
71.08633	22.6
75.67823	1.5
78.38566	1.4
79.05495	7.7
81.06604	1.6
81.07062	29.9
82.23544	1.4
83.04504	2.7
83.04987	47.0
83.08623	21.8
85.06525	1.6
85.10191	11.1
89.06020	4.8
89.17916	1.3
91.05484	9.4
93.07045	15.6
95.04970	3.2
95.08607	38.5
97.06493	1.7
97.10170	14.9
99.04461	12.4
105.07023	11.4
107.08599	14.8
109.06521	9.8
109.10162	23.0
111.08075	6.6
111.11716	7.8
119.08573	15.0
121.06483	3.5
121.10137	9.2
123.08098	12.4
123.11707	11.0
125.05949	3.1
125.09607	2.4
125.13298	2.1
131.08557	4.6
133.08571	2.8
133.10127	13.0
135.08037	8.2
135.11661	5.8
137.05971	26.9
137.09592	4.2
137.13225	4.3
139.07553	10.3
139.11189	1.6
145.10085	5.5
147.07982	2.0
147.11658	8.6
149.09612	4.5
149.13211	4.1
151.07535	8.2
151.11147	4.7
151.14783	2.2
155.07034	10.9
156.09395	1.7
157.10135	2.9
158.10832	1.7
159.08084	2.2
159.11708	4.8
161.09618	18.6
161.13205	7.3
163.14864	2.0
165.09131	2.7
165.12726	5.6
169.10146	1.5
171.11702	3.2
173.13249	3.7
174.10326	1.8
175.11159	11.5
175.14758	2.7
177.12737	4.4
179.10692	5.9
179.14272	2.1
185.13274	2.2
187.14845	1.8
189.12750	11.2
189.16360	3.3
191.17943	2.3
193.12189	3.7
193.16165	2.1
198.42986	1.4
207.13837	3.8
213.16389	3.7
217.15817	2.0
226.47371	1.5
227.17874	3.1
239.76982	1.7
283.20483	1.6
327.26825	3.6
347.29367	2.8
375.36307	20.8
379.35550	3.4
385.34763	11.3
403.35757	41.8
421.36871	100.0
422.36722	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
54.95084	1.6
55.05507	18.5
57.07059	6.6
57.77131	1.8
58.18110	1.5
59.04987	4.7
61.33644	1.6
67.05502	32.4
69.03423	2.7
69.07069	22.9
70.06598	4.9
71.04981	2.8
71.08628	4.0
78.04733	1.8
78.19979	1.6
78.92736	1.6
79.05492	20.9
81.06593	3.0
81.07054	46.1
83.04972	2.1
83.08620	11.2
88.02391	2.0
88.07614	4.2
91.05484	25.4
93.07047	34.3
95.04956	7.9
95.07996	2.7
95.08606	55.0
97.06511	2.8
97.10171	10.8
102.09196	3.4
105.07027	34.6
107.04949	2.2
107.08595	37.7
109.06467	2.6
109.10152	42.6
111.08080	3.8
111.11744	2.5
117.07011	11.6
119.08582	37.6
121.06493	2.4
121.10146	25.0
123.07995	3.0
123.11665	10.6
125.09641	5.1
128.06195	2.1
129.06970	6.4
129.54652	1.8
131.08562	18.7
133.10138	21.8
135.11671	15.0
137.13268	3.3
142.07748	3.1
143.08556	12.5
144.09302	2.0
145.10126	28.4
147.04369	1.8
147.08044	2.0
147.11685	21.3
149.02307	4.7
149.09622	2.9
149.13258	15.6
155.08545	6.5
156.09361	2.1
157.10115	14.4
159.11694	25.8
161.09662	2.2
161.13260	20.9
162.03119	7.4
163.11183	2.8
163.14836	8.0
169.10155	7.5
171.11665	14.4
173.13266	20.6
175.14813	20.5
177.16385	4.8
181.10072	2.9
183.11649	7.5
184.04349	4.3
184.07304	2.2
185.13225	14.5
187.14801	22.1
189.16333	9.7
193.05066	4.1
195.11772	4.8
197.13206	9.4
199.14879	11.1
201.16383	16.2
203.17990	2.0
206.05759	6.6
207.11719	2.9
209.13251	5.1
211.14813	5.7
213.16356	13.4
215.17943	7.9
217.19537	2.5
221.13324	2.4
223.14862	4.5
225.16389	6.0
227.17952	5.9
228.18787	2.6
228.23268	2.8
229.19531	7.4
237.16490	2.9
239.17940	6.1
241.19574	5.0
243.17381	2.2
243.21216	2.2
245.19098	2.5
251.17882	2.7
253.19455	4.4
255.21135	7.1
256.26355	2.2
265.19495	3.7
267.21103	4.4
269.22580	4.2
279.21094	4.4
281.22632	4.1
291.21268	1.9
293.22592	4.4
295.24246	5.1
297.25751	4.1
306.66214	4.2
309.25775	2.0
320.67691	3.2
325.25330	2.4
329.21127	8.3
335.27335	5.3
337.28979	2.0
347.27274	3.1
365.28363	3.1
385.09137	3.2
387.09015	2.1
403.24722	5.0
403.33621	21.4
421.28189	11.6
421.34619	100.0
421.78439	5.5
422.34775	3.6
444.17462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01866	1.0
55.05511	3.0
55.49416	0.4
57.03429	1.0
61.02911	0.7
65.03940	0.9
67.05506	4.1
67.42348	0.4
68.99776	0.7
69.03087	0.7
69.03429	7.1
69.07060	2.0
70.04072	8.4
70.06586	2.9
71.04414	1.1
71.04973	0.8
72.08160	0.5
73.06546	0.6
76.13010	0.4
79.05486	6.2
80.67972	0.4
81.03413	3.8
81.07053	6.0
83.04978	3.0
83.08599	1.0
84.04504	0.5
84.08128	1.3
85.02905	4.2
86.03243	0.4
86.09716	1.5
87.00819	2.0
91.05474	7.5
93.07041	4.4
95.04972	1.5
95.08614	2.1
97.02901	3.8
97.06509	0.5
99.04441	1.4
99.08085	0.5
103.05463	0.9
105.07027	9.5
106.39799	0.4
107.04940	5.1
107.08589	20.6
109.02881	5.5
109.06540	2.1
109.10156	7.5
111.04446	0.5
112.62831	0.4
115.05456	1.6
117.07023	2.4
119.04932	0.7
119.08587	4.4
120.08134	0.9
121.06486	2.3
121.10146	11.3
122.07283	6.2
123.04446	0.7
123.08029	0.8
127.03910	14.8
127.04829	1.0
129.06987	0.7
129.10191	0.7
131.08571	4.2
133.10126	100.0
134.10458	1.7
135.04401	0.8
135.08052	7.2
135.11693	1.4
136.07571	0.7
137.06049	1.0
137.09613	57.7
138.09047	0.7
138.09982	1.1
142.87901	0.5
143.08574	1.4
145.04968	2.1
145.10123	1.7
147.08044	0.8
147.11646	2.4
149.05954	0.6
149.09662	3.1
149.13248	9.8
150.57437	0.5
150.94789	0.5
154.08647	0.7
157.10023	0.8
158.10904	1.3
159.98090	0.5
160.97351	0.7
161.09671	0.7
163.11194	0.5
163.14841	2.1
166.08653	0.5
173.13260	5.0
181.08546	0.5
187.14792	0.5
189.12704	0.6
191.14297	43.3
192.14610	1.2
201.12720	0.5
203.14352	0.5
204.03195	3.2
205.03526	3.6
206.02963	1.3
213.03902	3.5
231.05022	1.5
241.01282	0.7
242.00603	0.9
258.01947	3.0
259.02313	4.7
260.01669	5.1
271.09589	0.7
299.16510	1.5
317.17484	1.6
335.18646	1.1
403.17490	1.3
421.18655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.1
55.05508	3.7
57.03437	11.3
61.02925	12.4
61.03181	2.3
65.03963	2.4
69.03425	26.8
70.06594	26.0
70.27283	3.2
70.27607	4.6
70.71365	2.1
71.01350	2.3
72.08154	22.9
73.02512	3.3
73.02916	58.4
75.86819	1.8
80.32465	1.8
81.03416	5.5
85.02905	56.5
86.09707	12.0
87.04476	10.0
91.05482	100.0
97.02300	3.9
97.02892	50.8
98.21509	2.6
99.04443	3.2
103.03918	2.9
105.07056	6.1
105.57890	1.9
109.02853	3.5
115.03938	34.8
117.07014	4.1
121.02867	1.8
125.32130	2.0
127.03919	17.5
129.07021	3.1
133.04970	27.0
133.06479	6.2
136.07683	2.4
145.04968	24.2
150.07591	5.1
156.32474	2.1
163.06026	9.5
175.10837	3.8
183.15010	3.2
199.05923	2.4
205.08594	3.0
220.72574	2.2
223.05930	4.3
223.09483	2.3
236.67003	2.3
241.07182	5.9
253.16525	2.3
259.08075	7.4
273.08966	2.4
283.69193	8.6
295.10208	2.5
297.68900	4.6
319.20935	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	420.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03447	1.0
54.24995	1.1
55.05505	2.7
57.03426	5.8
57.07076	100.0
58.07406	1.1
59.04712	1.8
59.05002	30.1
67.05501	1.2
69.07063	4.1
69.17051	11.6
71.08632	70.2
75.04488	3.0
79.05475	1.3
81.07055	2.0
83.08602	1.3
85.10184	53.5
85.58900	1.1
87.08093	1.2
95.08637	2.2
97.06539	4.6
97.10155	3.6
99.11745	10.5
108.41972	1.1
110.69807	1.0
113.13266	4.0
115.07567	23.2
117.09133	12.4
117.54675	1.0
127.73410	1.1
131.08522	1.3
133.08604	1.8
155.17921	5.2
155.71144	1.1
171.13759	2.5
191.12796	1.7
203.22885	0.9
213.22130	7.8
251.04697	2.0
252.05049	2.0
271.26306	10.1
364.17499	2.0
420.35635	1.5
436.41287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01867	2.7
55.05496	2.9
56.05036	9.2
57.03426	2.7
58.99591	13.0
60.04525	1.6
61.01136	1.4
63.73063	0.9
67.05491	1.7
68.05018	2.7
69.07056	2.8
69.15314	10.7
70.02953	1.8
70.06583	9.2
72.08146	4.9
72.69772	1.0
73.01136	2.3
73.08453	1.5
74.00674	2.2
76.01843	1.5
76.02240	19.0
79.05482	4.3
80.04995	1.5
81.07058	17.1
82.06557	1.3
82.90360	0.9
83.04995	1.0
83.06090	2.8
84.04505	22.5
84.08124	4.3
85.01124	3.0
85.02884	1.1
86.00657	6.0
86.09712	6.8
86.99058	7.3
87.02660	4.5
87.10033	1.2
88.02184	3.2
88.03963	1.9
90.05544	8.7
91.05457	1.1
93.07031	2.9
94.06561	1.4
95.08634	5.4
97.01115	1.4
97.06526	2.6
98.06039	1.1
98.09698	10.0
98.20716	1.8
99.04449	1.0
99.08087	3.2
101.99173	0.9
105.07037	2.2
108.08094	1.5
110.07152	1.7
110.09673	3.1
112.03935	3.7
113.04227	5.6
114.03713	1.6
115.05796	2.5
116.01680	26.7
116.07095	6.2
120.08139	5.3
121.10120	1.0
122.09669	1.1
123.04449	2.1
123.08091	2.3
127.05800	1.9
129.06557	5.1
129.07411	1.8
129.10245	2.3
130.04987	5.5
130.06799	2.9
133.10155	1.0
136.07582	3.0
138.09155	1.2
139.05750	2.0
142.03185	3.2
143.02745	1.6
144.00127	1.5
144.01161	16.2
144.06541	3.4
144.10182	1.4
145.06825	1.8
147.04456	1.1
156.08429	26.2
157.06828	10.5
157.08731	1.1
159.07784	0.9
165.05322	0.9
170.02704	1.1
170.11774	15.2
173.12987	1.1
174.09494	13.8
176.03787	15.8
176.37236	0.9
187.05354	1.4
193.06447	8.4
203.82230	1.1
209.15369	1.2
210.11246	3.6
215.04897	1.3
223.13264	1.0
230.08423	4.4
233.05943	3.1
256.10031	1.3
259.07315	1.0
273.12680	100.0
274.10837	1.5
274.13406	1.7
285.12549	3.2
305.04068	0.9
313.12125	4.8
331.13263	8.1
395.78598	1.1
402.17062	1.6
420.18011	2.1
420.23636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
57.07062	0.4
65.03906	0.2
67.05476	0.3
69.07053	0.3
71.08621	0.6
71.14622	0.4
81.07030	0.3
93.07053	0.2
95.03284	0.2
95.46125	0.2
96.05326	0.2
99.00816	0.6
99.04453	3.5
100.54723	0.2
111.04428	3.3
125.05997	10.7
137.09625	0.5
141.05469	4.4
149.02351	0.6
153.05467	100.0
154.05777	1.1
167.07063	0.7
181.08603	0.3
201.60614	0.2
223.13307	0.2
251.04605	0.4
252.50204	0.2
394.17096	0.2
419.35205	31.3
420.35556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3521
Annotation	17alpha,20alpha-Dihydroxycholesterol
Peak:m/z	Relative Intensity
50.86491	4.3
52.85144	3.7
53.03928	7.2
53.52137	4.3
55.01892	4.2
55.05510	25.9
57.07085	34.3
67.05500	19.3
69.07065	38.2
71.08638	24.6
71.50925	5.9
79.05473	17.1
81.07069	45.2
83.04985	8.4
83.08615	29.7
84.60480	4.9
85.10165	15.4
89.06055	5.0
91.05472	12.9
93.07026	21.8
95.08619	35.3
97.06523	12.1
97.10159	16.0
104.01767	4.4
105.07030	19.6
106.13494	4.5
107.08595	22.7
109.06512	18.2
109.10160	28.5
109.63240	5.3
111.04432	6.8
111.08057	9.6
111.11784	7.5
119.08591	27.4
121.06536	4.5
121.10165	22.7
123.08064	6.3
123.11681	11.5
125.05978	33.0
131.08498	5.4
133.10155	10.0
135.04404	15.7
135.11691	11.2
137.05977	100.0
145.10149	14.6
147.11707	14.5
149.02463	5.3
149.05962	8.3
149.09610	5.7
151.07533	21.1
152.52176	4.3
153.05473	49.6
159.11597	10.8
163.14922	5.2
165.09193	7.5
173.13194	7.7
175.14787	5.8
179.10698	7.5
185.13370	8.8
189.16393	6.7
193.12271	15.5
194.87358	4.6
201.16350	6.0
203.17964	7.6
205.12267	12.8
251.04662	21.8
273.47522	4.1
275.20270	5.0
307.11032	11.4
363.17142	19.2
373.34833	5.6
383.32733	8.2
401.34131	89.4
419.34872	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	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50182	3.8
55.01865	8.4
55.05504	28.9
57.07070	12.3
57.52553	4.0
58.65488	4.7
67.05508	33.2
69.03439	4.5
69.07060	23.6
70.25214	4.2
71.04984	8.3
71.08627	6.4
71.49531	4.6
71.49990	8.0
73.02927	8.6
74.23280	4.0
74.78899	4.0
79.05489	21.5
81.07050	55.9
83.04975	5.4
83.08622	16.7
84.91124	4.5
85.06550	22.0
91.05476	17.6
93.07053	48.2
95.04969	6.4
95.08612	100.0
97.06525	10.7
97.10170	12.7
101.06021	7.3
105.07023	40.9
107.08604	55.2
109.06483	5.6
109.10153	62.5
111.08080	43.6
111.11725	7.4
113.09686	4.6
117.07003	7.8
119.08582	64.4
121.10146	49.5
123.08071	4.3
123.11690	19.4
131.08549	12.0
133.10143	28.8
135.11708	29.1
137.09547	4.5
143.08585	6.5
145.10175	22.7
147.11659	42.4
149.13300	10.5
153.12744	7.0
157.10172	8.0
157.12187	6.7
159.11729	19.0
161.13280	19.8
163.14883	11.4
169.10149	7.5
173.13286	11.7
175.14864	10.3
177.16428	11.0
185.13365	6.7
187.14870	8.6
189.16434	11.7
197.13315	5.9
199.14772	9.7
201.16425	7.0
203.17953	27.3
205.15901	6.4
217.19540	19.0
301.25067	6.9
313.33014	4.2
383.33081	18.0
401.34204	12.0
419.28082	5.1
419.33401	17.5
419.39410	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	419.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	13.8
55.05517	35.9
57.07070	13.6
57.85721	4.3
58.69065	4.6
58.87731	4.8
63.28284	4.2
67.05507	41.1
69.07061	29.7
69.82902	12.2
69.83307	18.9
71.04977	8.5
71.08634	7.7
79.05501	30.5
81.07066	58.8
83.04951	6.1
83.08631	14.4
85.06535	16.6
91.05469	19.4
93.07049	56.5
95.08603	100.0
97.06551	7.2
97.10151	7.2
98.20793	4.9
101.06029	5.5
103.16809	4.9
105.07029	56.0
107.08598	74.3
109.06533	7.0
109.10168	67.0
111.08082	46.3
117.07020	10.7
119.08578	63.4
121.10141	58.0
123.08095	5.3
123.11690	29.6
125.09666	5.4
129.07014	6.5
131.08546	15.5
133.10139	39.2
135.11674	39.6
137.09637	7.7
143.08524	7.0
145.10129	19.6
147.11696	35.1
149.02348	6.6
149.13266	22.8
153.01114	5.6
155.08450	6.0
157.10106	7.8
157.12230	13.8
159.11723	18.4
161.13277	32.7
162.74115	5.1
163.14902	5.8
169.10139	7.6
171.11758	8.8
173.13277	14.6
175.14827	15.9
177.16403	6.6
185.13275	8.1
187.14851	10.8
189.16353	14.0
193.15959	5.2
197.13364	5.6
199.14842	7.3
201.16402	11.5
203.17963	30.8
213.16437	6.6
217.19490	30.1
227.14394	5.9
237.14299	5.5
239.46184	5.1
301.25339	12.6
319.26559	5.0
383.33047	21.1
401.34143	15.3
419.33057	20.6
419.39169	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	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03940	1.2
55.05515	11.2
57.07078	9.9
58.89148	1.3
65.03941	1.2
67.05501	5.0
69.03414	1.2
69.06739	1.3
69.07075	19.6
71.08627	4.5
71.50520	1.6
75.73244	1.0
79.05500	8.0
81.07066	9.2
83.04972	6.4
83.08624	8.9
85.06517	1.0
85.10161	2.8
91.05481	11.5
93.07034	4.5
95.04948	1.4
95.08598	6.4
97.10168	5.9
105.07023	4.4
107.08577	3.6
109.06521	28.0
109.10136	3.0
111.11725	2.7
117.06995	1.8
119.08579	4.8
121.06544	1.1
121.10125	2.6
123.08101	3.1
123.11655	2.1
125.05981	7.8
131.08537	1.6
135.08067	2.0
135.11661	1.3
136.04269	1.0
137.05981	100.0
137.13235	1.3
139.07553	1.7
145.10136	2.2
147.11620	1.6
149.02480	1.1
149.09622	1.6
149.13287	1.3
151.07550	19.9
155.07011	2.9
157.10149	2.0
159.11688	2.5
163.07518	2.1
163.11179	1.4
165.09111	9.8
173.13263	1.4
178.08617	1.1
179.10681	6.6
189.12881	1.2
193.12317	5.9
205.12230	2.9
207.13779	4.7
211.14850	1.2
219.13817	1.6
221.15349	3.7
233.15416	1.4
235.16827	1.7
249.18480	3.0
251.04663	2.3
263.20123	2.8
277.21683	1.7
279.54785	1.1
289.21637	1.3
305.24713	1.3
307.10895	1.7
327.23175	1.9
383.33087	1.6
389.17432	1.2
401.07486	1.0
401.34149	40.7
402.34744	1.4
419.22522	5.4
419.29779	4.0
419.35175	84.9
420.35388	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89859	5.0
53.03942	8.4
55.01859	15.2
55.05511	44.9
57.07060	11.3
59.04974	6.1
67.05507	57.4
69.03417	5.0
69.07071	36.5
70.06595	5.8
71.04990	12.5
71.08627	11.5
71.23065	7.8
79.05496	34.1
81.07059	82.3
83.04990	11.1
83.08604	14.2
85.06535	14.1
86.09680	5.0
91.05476	31.8
93.07039	76.7
93.60833	4.5
95.08609	98.2
97.06509	10.6
97.10177	7.7
99.08115	6.3
101.06037	11.4
105.07035	60.8
107.08611	86.0
109.10160	100.0
111.08092	62.5
116.31243	4.9
117.07053	10.4
119.08593	94.0
121.10121	56.0
121.10849	6.6
123.11695	23.1
124.58767	5.2
125.09597	6.8
128.06204	5.0
129.07027	7.5
131.08545	14.1
133.10162	53.8
133.66199	4.7
135.11708	39.6
137.09587	6.1
137.13245	11.0
139.11192	6.6
143.08560	13.5
145.10124	20.1
147.11667	51.9
149.02313	10.3
149.13228	24.4
153.12730	5.4
157.10156	9.6
157.12231	5.9
159.11700	29.5
161.13266	44.0
163.14850	12.0
165.12578	4.9
171.11682	10.2
173.13280	20.4
175.14848	23.4
179.14317	5.8
181.68643	4.9
185.13260	8.0
187.14825	13.2
189.16414	11.6
191.17978	8.6
199.14835	7.0
200.02121	5.9
201.16383	14.3
203.17940	40.0
213.16518	6.5
215.17871	6.4
217.19527	31.6
229.19444	6.1
271.20514	6.4
273.22098	6.4
285.25742	17.6
301.25232	9.8
313.33026	5.7
383.33118	29.0
401.34119	15.3
419.34381	7.0
419.39725	7.5
428.02975	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	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.4
55.05510	38.3
57.07067	10.4
67.05502	47.1
69.07074	43.8
71.04972	7.1
71.08642	7.0
71.49940	7.1
79.05507	26.6
81.00963	4.1
81.06651	5.4
81.07063	57.0
83.04991	7.5
83.08609	13.6
85.06583	24.3
88.55267	3.9
90.97453	4.1
91.05494	22.3
91.54624	4.4
93.07049	58.7
95.08607	100.0
95.76221	4.1
96.52180	4.9
97.06530	11.2
97.10151	6.8
101.06023	11.8
105.07030	52.3
107.08595	74.2
109.06505	6.3
109.10162	91.5
111.08089	55.7
111.11682	4.8
119.08589	88.4
121.10141	52.1
121.86092	4.7
123.08074	5.7
123.11694	17.9
125.09593	4.8
131.08577	17.3
133.10114	48.6
135.11694	40.7
137.09634	5.2
137.13222	6.0
145.10091	16.5
147.11678	43.0
149.13248	18.6
156.83624	4.6
157.10130	5.7
159.11716	25.5
161.13281	33.9
163.14804	10.5
165.12782	8.7
167.14265	4.6
171.11618	6.9
173.13269	14.3
175.14862	26.0
179.14281	11.3
185.13190	6.0
186.30930	4.7
187.14775	10.8
189.16330	13.8
191.17813	6.5
199.14790	7.1
201.16385	14.7
203.17981	33.7
215.17813	6.3
217.19597	28.9
225.16531	5.0
227.17932	5.2
227.94440	4.2
271.20792	4.6
273.22101	5.3
284.29166	4.3
285.25635	9.1
301.25107	5.8
383.33237	27.4
401.34271	26.7
419.33011	12.0
419.39142	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	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13097	4.1
55.01863	13.1
55.05512	34.9
57.07067	13.1
62.16871	4.2
66.69662	4.8
67.05503	29.0
69.03444	4.6
69.07069	22.3
71.04997	7.8
71.08613	8.5
71.66918	4.9
79.05489	19.7
81.07052	48.5
83.04967	7.7
83.08616	16.0
85.06548	11.2
91.05478	22.0
93.07038	51.2
95.08607	100.0
95.77979	3.8
97.06514	9.1
97.10168	8.4
101.06004	9.3
105.07024	47.7
107.08598	72.3
107.09288	5.6
109.10153	66.5
111.08083	50.5
111.11697	4.3
112.11255	9.9
119.08578	75.4
121.10142	56.6
123.11727	25.6
131.08562	10.3
133.10133	43.2
135.11681	41.1
137.13251	5.4
139.11134	4.6
143.08495	4.7
145.10124	24.4
147.11703	34.1
149.02350	5.8
149.13275	19.8
153.12737	5.4
157.10132	8.1
157.12218	10.4
159.11662	17.8
161.13237	35.2
163.14812	11.8
165.12762	8.4
168.14034	3.9
171.11668	6.3
173.13260	13.4
175.14857	16.6
177.16393	7.1
179.14369	5.2
185.15410	4.2
187.14848	11.4
189.16451	10.2
201.28377	4.0
203.17955	29.0
205.15860	7.4
207.36279	4.5
217.19498	61.6
227.17973	4.9
229.19588	5.0
256.97665	5.1
264.89642	4.2
276.14355	4.3
285.25961	4.9
301.25223	29.0
319.26334	18.7
320.55515	4.9
357.35571	4.8
383.33206	28.2
401.34219	7.6
419.34155	9.4
419.39392	13.8
420.34888	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	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21796	2.4
50.45808	2.5
53.20806	2.8
55.01855	9.7
55.05510	30.0
57.07057	6.1
59.04968	2.7
67.05511	42.6
68.34195	2.7
68.86851	2.4
69.07063	22.5
69.24413	21.2
69.24828	5.7
69.24989	2.3
71.04981	11.9
71.08628	4.4
79.05502	21.7
81.07059	43.9
83.04968	6.0
83.08615	8.0
85.06533	10.9
86.86617	2.7
91.05486	20.6
93.07042	36.8
95.04997	3.3
95.07989	3.4
95.08611	70.0
97.06535	5.5
97.10154	3.7
98.20846	9.0
98.21533	5.4
101.06031	4.7
105.07035	40.1
107.08589	46.6
109.10165	100.0
111.07388	4.1
111.08082	42.6
119.08588	57.1
121.10160	40.2
123.11701	12.2
127.70157	2.7
131.08589	6.3
133.10144	40.1
135.11696	25.1
137.13307	6.7
143.08643	3.2
145.10170	14.6
147.11713	33.2
149.13242	14.8
151.57007	3.4
153.12706	5.0
157.10172	6.9
157.12202	4.3
159.11729	19.8
161.13254	31.5
163.14853	7.5
165.12831	3.5
173.13254	11.9
175.14813	11.6
177.16391	4.2
179.14305	5.9
185.13229	4.9
187.14780	4.4
189.16452	6.4
191.17928	6.8
193.15886	3.9
194.13855	3.0
199.14766	4.4
201.16356	8.7
203.16212	4.8
203.17926	28.1
205.15901	3.2
213.16443	3.9
215.17957	8.7
217.19511	37.5
271.24136	3.2
285.25763	6.6
301.25323	3.0
327.26627	4.4
357.35709	4.4
383.33112	20.6
401.34210	13.4
419.33884	3.8
419.39200	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	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95324	1.3
52.64943	1.3
53.03943	1.5
55.01852	1.7
55.05511	13.8
55.57219	1.3
57.03430	2.3
57.07064	4.8
65.03941	1.4
67.05505	22.9
69.03443	1.7
69.07072	22.5
71.04996	11.8
71.08636	3.3
75.54798	1.3
75.80190	1.2
79.05492	13.5
81.07060	42.4
83.04988	1.4
83.08620	13.3
84.08132	3.0
85.06544	74.3
85.10194	1.6
89.00294	1.8
91.05477	8.5
93.07043	35.5
95.04987	2.2
95.08608	100.0
96.08936	2.1
97.06519	5.4
97.10179	6.3
98.20718	2.2
98.98457	2.6
100.23227	1.2
101.10892	1.5
103.71033	1.4
105.07034	12.8
107.08601	52.9
107.15202	1.4
109.06496	2.7
109.10161	33.3
111.08080	7.0
111.11743	2.5
119.08577	13.5
121.10149	38.7
123.11713	15.8
125.09634	3.6
129.10220	4.3
131.08617	1.4
133.10124	11.1
135.11687	19.5
136.39755	1.5
137.09526	1.5
137.13261	8.9
145.10130	3.7
147.11673	6.7
149.02283	1.9
149.13266	22.4
151.14832	4.6
153.12772	1.5
155.01028	2.4
155.10703	1.5
159.11681	3.7
161.13234	10.0
163.14827	35.1
165.16388	2.3
167.14285	2.5
173.13257	1.8
175.14850	4.8
177.12750	2.0
177.16409	11.3
179.14330	2.1
181.15837	9.6
189.16341	2.9
191.17953	2.4
193.15800	1.8
195.13815	3.2
199.99055	1.3
203.17897	1.7
205.19572	2.5
207.17352	2.3
217.19363	2.0
231.21069	1.6
249.22285	1.9
292.39865	1.3
327.30569	2.3
345.31561	6.3
383.33102	2.4
401.34119	14.7
419.35294	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	418.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
61.02909	0.8
69.03429	2.0
69.92425	0.6
69.96808	0.6
70.06586	0.7
70.54442	0.7
70.54765	1.7
81.03403	1.2
85.02909	5.2
87.04467	1.1
89.06036	68.0
97.02901	1.4
97.11270	0.8
106.06546	4.8
109.02850	0.8
120.60310	0.6
133.08614	34.7
151.09637	2.9
177.11244	6.6
195.12265	2.1
220.77834	0.8
239.14912	100.0
240.15273	1.4
419.19351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.7
55.01870	10.5
55.05510	5.8
57.03432	8.2
57.07071	21.3
59.05001	15.0
61.02920	6.5
65.08342	2.3
67.05500	13.9
68.99786	6.4
69.03085	3.6
69.03431	47.8
69.07066	15.7
70.06591	9.0
71.04990	22.2
71.08651	2.0
71.08827	2.8
72.08127	2.8
73.02913	11.0
79.05484	6.9
81.02934	3.1
81.03410	52.7
81.07047	13.2
83.08641	4.2
84.04497	2.9
84.08147	5.6
85.02902	83.9
85.06538	14.0
86.03265	3.0
86.09718	7.6
86.30161	2.2
87.00823	34.6
91.05493	3.9
91.85914	2.2
93.07030	9.7
95.04968	4.2
95.08604	76.0
97.02888	27.3
97.06522	7.3
99.04458	19.7
99.08092	14.7
105.01865	21.8
107.04959	25.2
107.08607	10.5
109.02876	44.5
109.06519	10.0
109.10162	19.7
111.08076	5.9
111.11766	5.2
113.09638	74.1
115.03934	5.2
117.01858	8.3
119.08612	2.4
120.08083	4.3
123.04469	3.2
123.11682	3.3
127.03913	68.5
127.11184	13.1
129.01868	3.8
135.11668	14.5
136.17763	2.3
137.09680	2.5
137.13252	10.4
143.17517	2.3
145.04964	26.4
149.02365	3.0
153.12741	100.0
155.14290	29.6
159.02890	29.2
167.07103	3.9
171.13802	19.5
177.04031	2.9
181.04930	2.3
210.11243	7.2
231.04930	12.4
239.53152	2.3
257.04453	4.0
275.08997	2.9
299.05569	6.6
300.06259	2.8
311.05392	2.8
313.07010	3.5
329.06512	9.0
345.47696	2.1
383.07574	11.1
401.08539	6.6
419.09805	8.9
419.18915	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15295	2.4
64.06728	2.2
69.03437	3.5
69.07064	5.5
70.06587	10.8
71.49480	2.4
72.08173	4.1
74.06084	3.4
81.04543	5.3
84.04500	2.6
84.08141	8.3
85.02902	7.8
86.09707	11.7
89.06049	6.4
95.79211	2.4
97.02882	4.0
103.05463	5.1
106.06555	7.6
107.04954	2.5
110.07174	6.0
111.23148	2.7
119.04972	2.7
120.08112	100.0
121.06570	3.2
122.06057	3.6
123.04431	5.1
125.30825	2.3
127.05047	5.2
131.04919	3.3
133.08641	2.6
137.10767	2.4
140.07057	7.8
147.04430	6.0
151.03899	5.4
152.07115	3.7
154.04996	3.1
160.46123	3.0
163.03883	2.8
166.08665	44.8
168.06587	12.3
177.09134	2.7
181.03285	2.8
224.09155	2.8
228.08548	2.8
230.07730	2.6
239.14909	8.3
256.11755	3.3
257.14972	12.1
266.10474	3.3
292.80331	3.0
303.08582	7.6
399.29523	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	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12672	0.3
55.01871	0.5
57.03428	0.7
61.02903	0.3
69.03418	2.1
70.06603	0.5
70.74287	0.4
70.74612	0.6
72.08150	0.4
73.02917	1.0
79.05494	1.9
81.03413	0.6
84.04481	0.4
84.08152	1.6
85.02891	1.9
85.08493	0.6
86.09689	0.4
87.04472	0.8
91.05456	0.7
95.04987	0.4
97.02877	1.3
97.06549	0.3
98.21435	0.3
99.92081	0.3
106.06557	100.0
107.06881	0.8
108.08119	0.9
111.04442	0.4
113.06006	0.5
115.03929	0.6
116.07068	0.4
118.06536	3.8
120.08106	0.7
122.06025	0.3
123.04419	0.6
124.07578	1.3
127.03931	0.8
127.12340	0.7
128.12682	0.5
130.06544	0.9
133.04984	0.6
134.06018	0.5
140.07010	0.5
148.07565	1.5
151.03935	0.8
152.07071	0.3
158.20049	0.3
160.07588	0.3
170.08122	0.4
194.60204	0.3
219.94676	0.3
238.10751	3.0
256.11868	0.5
268.11896	0.4
286.12979	0.7
303.08682	0.9
353.25024	0.3
418.18320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01859	1.2
56.05027	1.0
62.20588	0.9
64.09776	0.7
65.72884	0.7
69.03449	0.7
69.78342	0.7
70.06586	7.8
71.41226	1.5
72.08145	2.2
81.03423	1.0
81.07027	0.9
84.04462	1.0
84.08120	3.5
85.02878	1.2
85.08436	0.9
86.09693	2.9
91.05473	1.4
93.03399	0.9
95.04971	1.3
97.02878	1.0
104.05312	0.7
109.02885	2.4
111.04436	1.4
116.07095	7.8
119.04970	4.6
119.08552	0.9
120.08046	1.0
123.04427	32.6
127.03882	1.6
127.12271	0.8
135.04401	3.5
136.07515	0.9
137.02338	0.8
139.03908	13.8
143.04915	1.4
147.03249	1.2
147.04399	20.6
147.17961	0.9
151.03900	60.2
151.09970	0.9
152.04187	1.2
153.05466	1.9
155.01495	0.8
161.04779	0.7
161.05930	3.8
163.03900	5.8
165.05496	7.3
173.05983	3.4
173.87341	0.8
175.04012	0.8
175.07555	3.2
176.07889	3.3
179.07057	1.6
179.73380	0.8
181.04921	5.7
189.05434	1.4
189.21465	0.8
193.04893	3.9
199.07436	0.9
207.06584	3.3
211.07463	0.8
215.06989	1.5
217.08656	1.9
239.06856	0.9
285.07538	2.7
303.08624	100.0
304.08929	2.5
310.41022	0.9
334.00702	0.8
418.18347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76908	0.8
55.01868	2.2
56.05022	2.3
57.54499	0.8
67.05495	1.4
67.34837	0.8
69.03410	0.9
70.06593	20.6
71.03913	0.7
71.49461	1.5
72.04508	2.4
79.48920	0.9
81.03389	1.0
84.08149	2.3
86.09702	1.9
91.05480	1.8
93.07049	0.9
95.04956	3.3
97.08961	1.1
105.03391	1.0
107.04938	1.0
109.02878	2.9
110.09678	3.8
116.07087	28.8
119.04967	6.7
123.04429	39.0
129.33455	0.9
129.57637	0.9
135.04395	3.9
137.02310	0.8
137.05951	1.6
139.02829	0.9
139.03891	14.3
147.04408	18.1
151.03905	92.3
153.05443	4.4
158.72990	0.9
161.05988	3.0
162.02344	0.7
163.03867	4.9
165.05486	9.1
173.05992	3.7
175.07526	1.4
177.05440	1.2
179.06976	2.7
181.04944	5.4
193.04883	5.4
197.05983	1.1
207.06493	3.2
215.07007	1.7
217.08549	3.1
248.12695	1.3
266.11230	1.2
266.13873	10.0
285.07562	4.1
292.28946	0.8
303.08630	100.0
304.09015	2.6
312.85739	0.9
400.17535	1.0
418.18674	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	418.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25235	0.7
67.05486	0.9
69.03440	0.8
69.07082	0.9
69.28904	6.9
70.06579	3.4
72.08149	1.6
82.06561	1.1
83.79829	0.8
84.04469	0.7
84.08136	2.9
86.09698	4.1
101.03925	0.7
107.04960	4.7
110.07142	0.9
120.08078	2.1
123.04433	0.9
123.08060	1.1
140.05005	4.1
145.06537	0.7
149.05942	0.7
154.06519	2.3
155.06038	27.1
157.07643	1.1
166.06512	2.0
167.05969	6.9
167.07195	1.0
168.06726	5.2
169.07614	41.6
170.06015	4.4
179.06026	13.2
180.04482	1.5
181.05090	1.3
181.07571	4.7
182.05959	2.6
182.08417	1.7
183.05544	24.4
183.09189	3.2
184.06145	1.1
184.07628	1.4
185.07103	11.9
192.06789	1.4
193.07597	17.5
194.06004	2.3
194.07664	0.7
195.03738	1.7
195.05540	34.6
196.06294	17.4
197.07106	34.8
198.05516	8.9
198.07332	1.3
199.04944	0.7
201.06612	2.8
207.05556	9.9
208.06326	3.1
209.06970	5.1
210.07874	1.5
211.05061	5.2
211.08673	8.3
213.06596	26.4
221.07094	26.8
222.07562	1.8
223.04993	3.0
223.08765	1.1
225.06587	60.3
226.07118	1.2
227.08083	2.1
229.06085	22.8
236.08203	0.8
237.06622	6.7
238.07323	5.6
239.04646	4.6
239.08159	33.2
241.06061	4.4
243.07718	6.5
249.06575	10.3
253.06090	13.9
255.07803	1.8
256.08438	1.0
257.05591	6.5
257.08157	1.1
265.06116	3.5
266.06876	1.0
267.07626	21.9
268.08170	1.1
269.05435	3.9
271.07129	30.9
277.06094	13.7
280.07169	1.3
283.07187	2.0
285.05463	1.2
285.08688	39.4
295.07129	40.6
296.07355	1.5
310.08429	1.1
312.09781	2.8
313.08170	51.0
314.08420	1.2
331.09262	19.0
336.09903	1.5
340.09216	6.1
354.10822	5.0
358.10330	55.4
359.10770	2.1
370.10159	0.9
372.11807	7.0
382.10388	10.0
383.10648	0.9
400.11386	58.7
401.11749	2.8
418.12442	100.0
419.12769	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	417.3728
Annotation	gamma-Tocopherol
Peak:m/z	Relative Intensity
50.07105	0.4
53.03963	0.5
55.01874	8.7
55.05502	1.6
57.07064	1.7
63.22044	0.5
65.03905	0.4
67.05512	2.3
69.03439	2.2
69.07070	2.8
71.08627	1.4
74.56326	0.4
79.05504	1.6
81.02841	0.4
81.07067	3.7
83.08622	1.0
85.06545	27.3
85.10212	0.6
89.06046	0.5
91.05482	0.6
93.07056	1.9
95.08591	4.8
97.02892	22.8
97.06510	0.5
97.10213	0.6
99.04467	1.4
105.07038	1.8
107.08610	3.3
109.06529	1.8
109.10158	3.4
111.04466	0.8
111.06914	0.4
111.08093	9.1
111.08872	0.5
111.11739	0.5
115.03925	4.8
116.37869	0.4
119.08588	2.1
121.10139	2.5
123.08057	1.2
123.11710	1.5
125.06043	0.5
126.97505	0.4
127.07564	0.6
131.08492	0.6
133.06490	0.7
133.10147	2.0
135.08031	0.5
135.11737	2.0
137.06020	0.5
137.13298	0.5
139.07562	0.7
145.10121	0.9
145.66371	0.5
147.11658	1.1
149.09622	0.4
149.13271	1.0
151.07544	36.1
152.08344	1.0
153.05502	0.7
153.09122	0.5
157.10114	0.5
159.11745	0.5
161.13254	1.2
163.11232	0.4
165.09116	12.0
169.08600	10.8
171.11774	0.4
173.13330	0.6
175.14867	0.6
179.10652	4.9
181.12386	0.7
192.10252	1.1
193.12227	4.6
205.19574	1.4
207.13795	2.2
221.15384	2.3
235.16989	1.4
249.18472	0.7
263.20026	0.5
277.21741	0.7
303.49649	0.4
305.40561	0.4
399.32666	1.5
417.37329	100.0
418.37680	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	417.3364
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
51.14266	3.8
53.03937	5.1
55.01868	9.3
55.05506	24.3
57.03423	15.7
57.07072	8.5
63.11429	4.2
67.05502	29.9
69.07072	22.7
71.04977	4.3
79.05490	22.3
81.07062	67.4
83.08614	14.9
85.06552	12.1
91.05484	15.6
93.07036	78.4
95.04980	7.1
95.08604	100.0
97.02903	7.0
97.06541	11.7
97.10191	6.1
99.04446	8.4
101.06032	5.4
105.07043	38.3
107.08591	87.4
109.06509	9.1
109.10155	64.6
111.08106	6.9
111.11732	6.1
113.09615	6.3
117.07030	5.9
119.08575	45.3
121.06573	4.1
121.10146	78.2
123.08060	10.2
123.11684	27.0
125.05992	4.6
127.07543	4.8
131.08560	11.9
133.10124	51.9
135.08011	10.3
135.11690	93.3
137.13300	10.8
142.66124	4.8
145.10143	17.4
147.11676	37.3
149.13249	33.6
151.07536	25.4
153.05487	18.0
153.09004	5.7
157.10164	8.1
159.11717	23.4
161.13266	19.9
163.11221	15.8
163.14821	18.6
165.12694	5.9
169.08569	4.8
171.11676	6.7
173.13268	6.8
175.11115	5.4
175.14754	6.4
177.12779	27.3
177.16313	4.7
181.12257	22.7
187.14818	9.0
189.16373	9.2
191.14310	6.8
191.17908	15.1
193.12250	6.6
195.13817	34.6
199.14912	5.5
203.17947	14.1
205.19592	4.5
207.13817	11.2
209.15356	10.3
217.19482	11.9
221.15442	5.2
261.21753	3.8
381.31531	13.7
399.32462	40.8
417.32971	13.5
417.38010	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	417.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81433	0.4
55.05512	1.0
55.85065	0.3
56.05029	0.6
57.03440	1.0
58.06604	3.2
58.76235	0.3
59.78182	0.3
69.03429	0.7
69.07083	0.4
70.06592	2.8
71.50521	0.5
71.72664	0.4
72.08160	3.5
75.04496	0.6
81.07070	0.8
82.43383	0.3
83.04984	0.4
84.04521	0.7
84.08145	100.0
85.02904	2.0
85.08485	1.0
86.09693	3.8
91.05499	0.6
93.07037	0.5
95.04958	0.8
95.08598	0.4
97.02902	0.5
97.06524	0.4
99.10845	0.3
105.07099	0.4
105.08439	0.3
106.06541	3.1
107.04926	0.6
109.02781	0.3
109.06521	0.4
117.06999	0.5
118.90863	0.4
119.04970	0.7
119.08549	0.4
119.10018	0.3
121.06530	1.0
121.10093	0.4
123.04433	4.9
127.03824	0.6
127.12320	43.3
128.12646	0.6
130.06541	0.5
131.53915	0.3
135.04445	0.4
139.03911	0.4
139.07584	0.5
145.04958	0.6
147.04424	1.6
149.05916	0.4
151.03902	2.1
151.07553	0.4
152.68155	0.4
157.07707	0.4
161.05974	0.7
163.07590	1.7
163.11180	3.0
165.05466	0.5
173.06076	0.5
181.08650	0.6
181.12267	0.7
191.07057	5.2
193.08676	1.6
201.12445	0.5
217.11871	0.6
219.13765	0.4
222.11246	1.8
225.92412	0.4
233.40721	0.4
237.14801	1.7
239.17114	0.4
241.03012	0.3
265.15463	0.6
299.25015	0.4
302.21912	0.7
328.17868	0.4
348.07077	0.5
417.08456	0.5
417.20270	5.9
417.25150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60184	0.4
53.03934	0.4
55.05505	1.1
56.05022	0.4
57.03405	0.6
58.06599	3.6
69.03436	0.7
69.07090	0.8
69.65844	1.0
69.66259	1.2
70.06590	3.3
71.91463	0.3
72.08154	8.1
79.05486	0.4
82.06542	0.5
83.04979	0.6
84.04506	1.0
84.08140	100.0
85.02891	1.3
85.08466	1.0
86.09703	13.7
90.05589	0.4
91.05505	0.5
95.04981	0.9
97.02872	0.4
98.20717	0.3
102.05537	0.5
103.05552	0.4
105.07005	0.6
107.08637	0.4
109.02858	0.5
110.06057	0.4
110.07180	0.5
114.05495	0.4
116.07085	0.7
117.07024	0.5
121.06445	0.5
123.04424	4.6
127.12312	40.8
128.12727	0.4
129.10291	1.8
130.06544	1.0
135.04460	0.5
135.08081	0.5
143.11827	0.9
147.04385	1.8
148.06046	0.8
149.05946	0.4
151.03864	1.8
157.07640	0.5
158.05986	0.5
163.07570	1.1
163.11192	1.0
165.36581	0.4
171.11281	0.4
173.05928	0.4
175.03978	0.4
179.07062	0.5
191.07036	4.2
193.08623	1.9
201.12373	0.4
222.11192	2.2
243.13646	0.5
247.12866	0.8
255.15988	0.5
261.14334	2.0
265.15558	0.6
269.11304	0.6
270.18048	0.5
285.12271	0.7
302.21631	0.4
316.82495	0.3
334.61392	0.3
371.12460	0.4
417.20422	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	417.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66363	1.0
55.01865	1.5
55.05506	1.1
65.03925	2.6
67.05510	1.5
69.07079	1.2
70.06590	3.9
70.74577	2.7
72.06013	1.0
72.08154	2.0
78.04691	1.5
79.05500	2.5
81.03403	2.4
81.07052	3.8
83.05007	1.1
84.04517	1.2
84.08147	7.8
85.02916	3.8
86.09731	2.2
91.05447	2.6
93.03381	1.0
93.07036	2.1
94.84558	1.4
95.04961	1.7
95.08610	2.3
97.02885	1.4
103.05468	3.6
105.03365	4.5
105.07044	2.8
106.04196	1.4
107.04969	4.1
107.08578	1.5
109.10145	1.6
115.05465	2.8
117.07021	2.5
119.08603	1.2
120.08100	1.8
121.10139	2.1
123.04436	6.2
123.11713	1.5
129.03351	2.5
131.04951	1.7
133.10107	1.4
135.08057	1.2
137.05974	1.1
141.01802	1.0
145.06485	5.1
145.94264	1.0
147.04413	3.2
148.20679	1.0
149.02351	3.0
149.05966	0.9
151.03902	1.1
152.04617	1.2
155.06026	1.8
163.03926	2.1
163.07555	1.3
165.01814	10.1
167.03406	3.9
167.07043	62.2
173.06004	9.2
177.01910	1.9
181.04944	18.1
183.02892	3.5
191.07060	6.0
195.06631	1.7
205.08633	2.5
210.83444	1.1
221.08121	1.1
223.07545	1.4
233.07965	5.0
235.09621	2.6
239.06856	1.2
243.02908	1.1
251.07047	12.7
254.05743	2.1
255.06470	4.9
263.07019	1.5
265.06107	1.2
265.08609	8.5
267.06528	100.0
268.07217	10.8
277.08569	1.9
279.06552	12.7
279.10208	2.8
280.07135	1.1
281.04749	0.9
281.08057	2.5
289.08597	2.3
291.06512	2.7
291.64923	1.1
292.07324	2.1
293.04849	1.1
293.08078	24.7
293.11377	1.3
295.06296	1.8
295.09586	1.2
297.07574	69.4
298.08075	1.6
305.08072	3.3
307.09662	12.7
317.08093	4.1
321.07568	38.3
333.07605	12.3
335.08994	2.3
345.07559	10.7
350.32520	1.0
351.08673	17.1
363.08612	19.5
369.08383	1.1
381.09573	15.9
387.14261	7.4
399.10519	8.3
417.15854	16.0
417.20953	2.0
417.26224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	1.9
55.01867	1.1
55.05512	1.1
56.05027	1.2
57.77963	0.7
58.99577	3.2
59.04996	3.4
61.01137	1.4
62.00663	2.3
65.02848	0.7
65.41364	0.8
67.05502	1.6
69.07070	0.8
70.06599	3.7
70.89791	1.3
72.08160	1.1
74.00655	2.6
79.05495	8.3
80.05006	1.6
81.07050	3.8
83.06104	2.2
84.04044	1.4
84.04507	14.8
85.01134	5.5
85.02895	0.9
86.00648	2.7
86.09695	3.8
86.99039	0.8
87.04473	8.6
89.06032	18.9
91.05471	2.3
91.62923	0.7
93.07040	1.8
94.06606	0.9
95.08591	3.5
96.08097	1.3
97.01110	1.3
97.06525	4.2
98.00613	0.9
103.03946	25.5
103.07581	1.6
105.07015	4.9
106.06566	4.1
107.07343	5.5
108.08133	5.0
109.06514	2.8
109.07650	1.1
110.07184	1.1
111.02649	2.2
111.04434	1.2
112.02179	3.1
113.04234	14.5
115.05437	0.9
116.01653	5.0
117.05585	0.9
118.06532	3.6
120.08096	2.8
122.09655	1.4
123.02658	4.3
123.08047	1.8
124.02153	1.1
124.07584	3.1
125.02900	0.8
125.04209	1.9
129.06619	1.7
130.05005	2.9
131.07040	2.3
131.21091	0.9
132.08101	4.9
133.08696	12.3
133.09888	1.2
137.02950	2.4
138.03741	13.5
139.05754	4.5
140.05289	41.9
141.03711	2.0
141.05621	1.0
141.53102	0.8
142.03203	2.8
144.01115	1.2
147.06535	2.9
149.04187	2.5
150.09099	1.1
151.04605	1.4
153.06564	1.8
155.08127	1.9
158.15503	0.7
162.02180	1.4
164.05240	0.8
166.06871	65.1
166.61951	0.7
167.05330	5.8
168.10178	0.9
172.99004	0.7
173.13200	0.7
177.03314	1.1
177.11223	2.0
181.06091	1.1
182.15443	0.8
184.07906	14.3
185.03809	0.9
185.08276	0.8
191.09132	1.9
199.36420	0.7
207.12173	1.1
212.07425	1.3
223.08966	5.2
235.11890	1.8
250.08902	0.9
269.09552	100.0
270.09805	1.5
287.10397	0.9
323.10428	1.8
341.11810	4.3
341.18127	3.6
341.21732	0.9
343.10452	0.9
399.21707	1.0
410.03650	0.8
416.14978	1.0
443.13647	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	415.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05503	12.8
57.03447	2.0
57.07073	7.5
65.03932	2.3
67.05505	21.1
69.07070	38.4
70.75256	5.7
71.04993	1.8
71.08644	4.3
77.17746	1.5
79.05492	18.0
79.16250	1.8
79.87247	1.6
81.06590	3.3
81.07060	53.8
83.04971	2.8
83.08617	11.0
85.06534	3.2
91.05482	18.4
93.07051	27.5
95.04975	3.6
95.08607	80.2
96.08932	3.3
96.83152	1.8
97.06564	2.0
97.10188	5.3
105.07031	29.9
107.04959	7.3
107.08588	34.2
109.06503	7.1
109.10159	42.6
111.08070	1.9
111.11729	10.2
113.05999	2.9
117.07016	6.0
119.08573	35.9
119.09374	2.8
121.06483	2.6
121.10143	33.6
122.07289	9.5
123.08163	12.4
123.11705	20.5
123.48697	1.8
124.08381	2.1
125.05997	7.0
127.07565	3.8
131.08566	10.1
133.10144	18.6
135.08049	9.5
135.11699	17.1
136.78999	1.8
137.05916	2.4
137.09666	3.3
137.13252	18.0
139.07549	6.2
141.09097	2.4
143.08658	3.1
145.06444	2.1
145.10123	14.4
147.08032	4.8
147.11684	12.3
149.09627	5.2
149.13275	9.6
150.06775	24.2
151.07561	100.0
151.14792	8.9
152.07866	34.7
153.08983	1.7
155.07030	2.4
157.10094	3.8
159.07986	1.9
159.11703	8.7
161.09605	4.8
161.13225	9.1
163.07526	5.7
163.11183	5.6
163.14824	7.0
164.08211	1.7
165.09074	4.8
165.12744	2.7
171.11632	3.0
173.09651	3.6
173.13275	10.5
175.07568	3.0
175.11177	2.1
175.14780	4.4
177.09169	9.6
177.12778	3.4
177.16397	22.1
179.10670	4.2
187.14862	6.0
189.09169	2.9
189.12679	2.6
191.10696	35.9
191.14346	2.9
191.17953	13.8
192.11012	11.3
193.12233	2.4
193.15910	2.0
199.14825	3.0
201.12799	5.0
201.16422	2.4
203.17996	10.5
205.12247	12.8
205.15901	2.1
205.19547	8.0
207.13808	6.5
215.17894	2.6
217.12241	3.5
217.15900	2.1
217.19566	2.2
219.13799	66.1
220.14124	2.2
221.15372	3.5
231.13815	4.8
231.21101	3.3
233.15411	5.4
237.14853	8.0
243.20805	2.1
245.15302	5.5
247.16966	2.5
251.16405	3.5
279.49902	1.6
283.05978	4.8
286.41351	1.8
287.19928	5.3
325.95926	1.9
367.08221	1.8
369.31552	3.1
397.30844	39.4
415.35846	84.3
415.80701	1.9
416.36038	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	415.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50212	1.0
55.01871	1.2
55.05507	5.4
66.81084	1.1
67.05492	3.3
69.03429	1.5
69.07056	2.1
69.76908	6.3
70.06564	1.4
74.14978	1.0
79.05489	3.7
81.03419	1.3
81.07082	5.4
83.04971	1.1
83.08613	2.6
89.05968	1.2
91.05467	13.0
93.07042	4.2
95.04962	3.5
95.08031	1.2
95.08617	3.5
97.10172	4.6
103.05461	1.8
105.07042	7.4
107.08609	6.9
109.06516	11.3
109.10150	3.6
110.78693	1.3
111.08064	1.5
115.05495	1.5
117.06996	4.0
119.08588	100.0
120.08931	1.3
121.10141	4.6
123.08070	1.6
125.09637	4.9
129.07048	2.7
131.08569	3.6
133.06502	3.0
133.10156	8.8
135.08078	3.6
135.11713	1.6
138.17314	1.2
143.08574	3.9
145.06509	1.3
145.10172	3.3
147.11670	2.5
149.09621	3.2
155.08583	2.3
156.09320	2.1
157.10117	4.3
159.08138	2.4
159.11691	2.9
161.09692	1.6
164.74854	1.1
165.01823	1.3
165.06979	1.4
167.08511	1.3
169.10121	3.1
171.11679	5.0
173.09653	1.5
173.13258	2.7
175.11229	1.5
183.11635	1.6
185.09604	1.6
185.13226	1.7
187.11130	1.2
187.14769	1.9
189.11256	3.0
192.09303	1.2
193.10112	3.1
194.10973	1.5
195.11739	2.2
197.09621	1.2
197.13300	2.1
198.13966	1.2
199.14899	1.9
207.11661	2.0
209.13309	2.5
211.14835	3.4
213.12720	1.5
218.10770	1.2
221.13293	2.4
223.14813	1.8
229.10004	1.7
231.11665	1.8
232.12410	1.7
233.13260	3.0
235.14737	1.2
245.13612	1.6
247.14798	1.9
249.16376	2.1
257.13348	2.1
259.14850	2.9
261.16492	1.3
265.15750	1.1
279.17407	1.6
283.06091	6.4
299.17963	4.4
303.17456	1.2
305.18903	2.6
309.07541	2.1
313.19312	1.3
315.21094	4.4
315.58325	1.3
325.19727	1.7
331.20657	1.7
337.06940	1.9
339.20990	1.6
355.24115	2.9
357.22089	6.0
367.08475	1.6
373.25302	2.9
397.25272	4.9
397.30460	1.4
415.26367	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	415.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34270	0.5
69.03433	0.7
69.61163	3.6
70.06582	1.7
72.08143	1.3
73.06557	1.3
81.62101	0.5
84.08142	1.5
86.09710	3.2
87.04472	6.1
89.06032	100.0
90.06357	0.6
98.09688	1.3
107.07061	1.2
117.09083	0.8
121.02882	0.7
124.11263	0.5
125.11562	0.6
125.32486	0.5
129.10284	0.9
131.07043	1.4
133.00487	0.5
133.08607	46.6
134.08919	0.7
165.01854	1.2
166.02237	0.6
177.11224	10.0
208.38443	0.5
209.04054	0.5
244.56746	0.5
283.06021	1.5
289.06219	0.6
295.06012	1.2
299.05536	0.9
300.05811	1.8
301.06161	3.5
309.07571	0.6
326.07455	0.6
327.20035	0.6
337.07193	1.0
341.09329	1.7
367.07495	2.0
369.08847	0.9
379.07666	0.9
385.08112	1.1
397.08243	2.3
415.09378	2.8
415.19312	1.2
415.24695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1024
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.03920	0.5
54.05967	0.4
55.01841	1.3
55.05494	0.5
57.03413	0.6
59.04984	0.6
66.89590	0.4
67.05468	1.3
68.99779	1.1
69.03398	0.8
69.07047	0.8
69.90028	2.0
70.06596	5.0
72.08121	1.0
79.01836	0.5
79.05441	1.4
81.03392	1.5
81.07010	1.5
84.08108	1.4
85.02870	1.7
86.09711	3.4
89.06015	0.8
91.05432	2.1
92.99738	0.4
93.06996	0.7
95.04949	1.0
95.08587	1.0
97.02853	0.9
105.06973	1.1
107.04939	0.9
107.08569	0.5
109.02838	1.4
109.10142	0.7
112.08707	0.5
119.04941	4.0
119.08527	0.6
120.08091	0.9
121.02028	0.6
121.02871	9.6
121.06478	0.6
121.10038	0.6
122.67805	0.4
123.00791	0.6
123.04414	1.1
129.10255	0.5
130.06499	0.5
131.04897	1.0
133.08574	0.5
133.10098	0.4
135.04370	0.7
137.02296	0.5
137.05966	0.7
141.01788	1.3
143.08575	0.5
145.02834	2.9
145.06451	0.6
145.10089	1.2
147.04367	1.5
149.02379	0.5
149.05980	0.5
151.03821	0.7
151.07498	0.6
153.01735	0.5
157.10077	0.5
159.04414	0.7
159.09142	0.8
163.03902	5.3
165.01837	16.9
167.03386	0.7
167.06990	0.7
170.05974	1.1
173.02339	0.5
177.01848	0.6
177.05400	1.0
179.03336	0.5
181.04910	2.6
183.02893	4.4
187.03841	1.4
189.01826	1.1
191.03410	2.4
193.06386	1.0
196.72978	0.4
199.03857	0.5
203.03448	0.8
205.04883	0.9
213.05417	1.3
215.03430	1.1
217.04959	1.2
229.04967	0.5
229.15536	1.0
231.02789	0.8
233.04602	0.8
242.05760	0.5
243.02815	1.4
253.09567	1.7
255.06557	0.9
256.07397	0.6
261.03812	1.0
263.06894	0.4
267.06525	3.4
270.05334	1.4
271.06015	7.4
279.06686	2.1
280.07193	0.6
281.08084	10.0
283.06006	100.0
284.06564	4.9
293.08047	0.8
294.05130	1.0
295.02881	0.8
295.06012	9.8
295.09589	2.2
297.04346	0.7
297.07495	4.2
305.08112	2.7
307.05991	2.9
308.06839	4.0
309.04053	1.8
309.07547	30.9
310.07773	0.9
311.05511	1.1
311.09268	0.5
313.07050	5.0
321.07645	3.3
323.05481	1.5
323.09082	17.7
325.07071	1.3
333.07626	4.4
335.05658	1.0
337.07047	46.4
338.07468	1.1
349.07053	10.6
351.08633	4.0
355.08102	0.8
361.07040	10.9
367.08133	20.3
368.08270	0.5
379.08112	20.4
397.09174	21.1
398.09570	0.5
415.10242	25.2
415.15045	0.9
415.22437	1.0
415.27368	0.9
416.10349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38517	1.3
53.03921	2.5
55.01847	1.3
55.05503	2.4
57.07075	6.3
65.59964	1.1
67.05495	4.8
68.05027	2.1
69.03413	5.0
69.07059	2.6
69.39507	6.5
69.39923	2.8
70.06270	1.7
70.06598	21.0
72.08138	1.7
77.03961	1.3
79.05483	5.6
81.03401	1.8
81.07050	9.0
83.04978	2.1
84.08136	7.8
85.02872	1.3
85.06548	1.8
91.05478	10.2
93.07041	20.3
95.04980	2.8
95.08612	5.7
96.08127	27.3
97.06523	3.0
100.07600	5.5
100.59563	1.1
103.05511	1.5
105.07040	7.4
107.08598	6.1
108.08034	1.3
109.06519	1.4
109.10143	3.3
112.50952	1.1
114.05531	2.3
118.32530	1.3
119.08582	15.9
120.08099	3.4
121.06484	3.6
121.10138	7.4
122.05960	1.4
123.08064	6.7
125.05993	5.2
128.06224	1.7
128.07095	5.9
129.07013	2.0
131.08553	3.5
133.10104	5.0
134.09645	4.8
135.08086	7.9
135.11731	1.9
135.26633	1.2
136.11186	5.8
137.05975	2.5
137.09615	10.7
143.08524	2.3
145.10094	4.9
145.82793	1.3
147.08055	19.1
147.10472	3.0
147.11583	2.2
149.09590	2.0
151.07497	2.2
157.10100	2.4
159.11655	2.9
160.11189	2.6
161.09654	1.3
161.13260	3.0
162.12761	17.3
162.76636	1.4
163.11189	7.3
164.07072	2.1
165.09122	41.4
170.10954	1.3
171.11626	1.9
175.14778	2.2
178.08615	4.7
181.12242	10.8
185.13283	1.6
188.14508	1.4
189.12816	2.3
190.15900	19.2
198.41446	1.5
199.11192	1.4
203.14290	14.1
206.11795	2.1
207.11852	1.5
207.13736	2.3
221.15361	100.0
222.15610	2.6
234.14821	4.7
243.13745	1.5
281.18994	2.3
283.06036	5.5
299.20056	9.2
301.21625	4.3
309.07397	1.8
319.99237	1.3
337.07172	1.8
370.22678	1.6
370.27374	24.4
396.25064	1.9
397.09283	1.7
414.26416	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	415.1023
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
55.01856	0.8
57.03399	0.6
59.43187	0.2
59.58202	0.2
62.00601	0.2
65.03912	0.3
68.99778	0.9
69.03417	0.3
71.04185	0.3
71.04536	0.5
81.03381	0.6
85.02899	1.3
91.05485	1.2
95.04938	0.7
97.02850	0.6
99.42982	0.3
105.03393	0.2
107.04964	0.4
109.02839	0.9
119.04935	3.3
121.02025	0.4
121.02860	7.7
123.00783	0.9
124.55331	0.2
131.04892	0.6
135.04373	0.9
137.02339	0.6
141.01840	1.4
145.02826	3.0
147.04330	0.6
149.02312	0.8
153.01797	0.5
159.04417	0.5
163.03896	5.2
165.01826	17.7
166.02101	0.2
167.03342	0.6
173.02284	0.4
175.03809	0.4
177.01810	0.8
177.05452	0.5
179.03323	0.3
181.04915	1.0
183.02890	3.0
187.03914	2.0
189.01791	1.1
190.02481	0.4
190.99715	0.4
191.03377	2.3
199.03934	0.3
203.03397	0.6
205.04922	1.3
207.02844	0.5
209.04356	0.3
215.03354	1.1
229.04895	0.7
231.02867	0.8
233.04497	0.5
239.07048	0.6
242.05894	0.2
243.02869	1.5
253.05138	0.2
253.08527	0.6
255.06451	0.5
261.04044	0.5
263.06839	0.3
266.05884	0.2
267.06497	2.9
270.05191	1.4
271.03061	0.4
271.05969	6.6
272.06290	0.3
272.92947	0.2
273.03690	0.4
274.23898	0.2
277.08597	0.4
279.06491	2.5
280.07114	0.5
281.04922	0.4
281.08066	11.2
282.08609	0.2
283.05984	100.0
284.06381	3.1
289.08328	0.2
289.37814	0.2
291.06427	0.6
293.08075	0.9
294.05188	0.9
295.05988	8.0
295.09625	2.7
296.06537	0.4
297.03964	0.9
297.07526	3.0
303.06555	0.3
305.08047	3.5
307.05975	2.8
308.06818	2.1
309.04053	1.7
309.07523	31.3
310.07843	0.9
311.05429	1.1
313.07037	3.8
320.06812	0.3
321.07584	3.8
323.05719	0.8
323.09103	16.0
324.09512	0.3
325.07056	0.7
333.07541	4.3
335.05411	0.6
335.09015	0.2
337.07031	48.3
338.07275	1.2
349.07037	12.1
350.07538	0.4
351.08554	3.6
355.08289	0.3
361.07053	10.6
362.07214	0.3
367.08099	17.6
368.08374	0.6
379.08105	18.3
380.08487	0.8
397.09155	19.4
398.09415	0.5
415.10202	14.7
416.10950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43690	1.1
52.96811	1.2
53.03943	2.0
55.01862	5.6
57.03438	18.6
57.95156	1.2
59.04994	1.9
61.02926	15.7
69.03429	30.5
70.06580	4.7
71.01332	3.9
71.05004	1.9
72.08147	1.9
73.02921	75.6
81.03411	8.9
84.08143	2.5
85.02908	100.0
86.09684	4.2
87.04453	5.2
90.75930	1.3
91.03943	5.6
91.05461	1.8
97.02895	53.0
99.04464	5.1
103.03979	2.8
103.36397	1.1
109.02876	10.1
115.03168	2.6
115.03930	26.6
115.04658	1.0
120.08131	3.4
121.02877	1.4
122.75661	1.1
123.04433	4.7
127.03918	33.8
133.04976	34.5
136.41597	1.3
139.03894	1.9
145.04967	54.1
147.04422	4.4
150.07675	2.3
151.03885	11.3
163.03929	2.9
163.06021	26.0
165.01852	2.3
181.05054	1.4
193.04988	2.4
196.31541	1.4
221.12935	1.4
223.06023	3.7
241.06987	6.5
252.11234	1.8
259.08307	5.6
265.16504	3.2
277.09155	1.2
281.08173	2.0
283.06049	18.6
295.10355	2.0
303.08603	6.6
309.07620	5.5
323.09003	2.0
326.67493	1.4
337.06949	9.3
361.07037	2.1
367.08112	3.2
379.08249	3.6
397.09155	4.1
414.16342	1.6
414.21375	1.9
415.10062	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	414.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19949	1.5
63.67023	1.5
69.03401	1.3
69.18423	12.5
70.06598	63.7
98.46155	1.4
116.07094	100.0
130.08844	1.5
136.06180	4.4
147.12665	1.5
153.21878	1.5
181.59190	1.3
416.43109	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	414.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30072	0.4
65.03898	0.4
69.03419	1.6
69.21584	2.3
69.22007	2.0
70.06595	4.3
71.04999	14.2
72.08153	1.2
73.02930	0.6
74.06052	0.6
81.03412	1.7
81.07049	1.9
83.06110	0.6
84.04498	1.1
84.08132	2.1
85.02908	3.7
86.09699	1.4
87.00835	1.0
89.06053	2.7
90.05552	2.1
91.05487	0.5
97.02905	1.8
98.21566	0.9
99.04480	0.7
103.03962	0.7
103.07543	0.6
105.01864	1.7
109.02888	1.8
109.80485	0.4
110.03503	2.5
110.07164	5.8
113.09647	7.9
120.08141	2.5
123.04445	0.6
123.30035	0.5
124.07584	1.4
127.03933	2.7
128.04517	0.5
129.10255	1.3
131.97351	0.5
132.01730	0.5
132.10229	0.6
135.03081	2.6
136.06288	0.6
136.07574	2.6
138.09123	0.6
145.04973	0.6
149.08092	1.4
152.05682	100.0
153.04080	3.6
156.07657	4.0
163.03938	0.6
164.07062	2.9
166.07294	0.6
205.67438	0.5
231.04881	0.6
232.11922	1.6
250.12991	1.5
264.14557	1.9
275.13898	0.6
282.15625	49.6
283.15872	0.6
414.17877	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	413.3779
Annotation	4alpha,14alpha-Dimethylcholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
52.94482	4.7
55.05505	20.1
57.07074	27.1
57.76532	5.7
67.05500	27.5
69.07076	42.6
71.08628	22.1
71.50055	7.2
79.05477	17.3
81.07056	52.5
83.08619	16.9
85.10165	6.1
91.05484	17.2
93.07060	28.9
95.08606	75.8
97.06541	9.5
97.10153	17.4
105.07021	42.3
107.08600	36.0
107.92819	6.0
109.06534	15.1
109.09499	5.1
109.10155	32.9
109.95436	5.0
111.11727	14.9
117.07036	8.7
119.08578	32.3
121.10154	33.5
123.08054	21.8
123.11716	16.1
131.08630	24.6
133.10147	23.1
135.11697	14.6
137.13219	8.2
143.08588	7.5
145.10115	33.8
147.11671	29.2
149.13257	15.8
157.10139	13.8
159.11726	54.9
161.13246	33.3
165.12726	7.5
171.11642	12.1
173.13280	25.2
175.14812	10.7
177.12793	10.7
179.14265	5.2
185.13281	8.5
187.14792	13.0
191.14264	5.9
199.14772	13.3
201.16362	11.5
213.16425	17.5
215.17958	8.2
221.22673	8.5
227.17870	11.7
230.24930	5.1
231.17279	6.5
231.25198	8.5
233.22810	5.5
241.19617	8.3
247.24254	6.6
255.20967	5.8
355.33511	5.3
395.36719	100.0
413.32333	31.5
413.37747	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3778
Annotation	porifersta-8,25(27)-dienol
Peak:m/z	Relative Intensity
55.05505	20.9
57.07079	16.0
67.05504	29.7
69.07069	45.8
69.25370	4.3
69.25778	20.5
71.08632	19.7
79.05497	23.3
81.07057	58.1
83.08624	26.5
85.10185	10.0
91.05470	21.2
93.07041	32.7
95.04947	2.8
95.08613	59.1
96.08902	2.6
97.06533	7.0
97.10172	11.7
98.21556	5.8
105.07029	52.7
106.46492	2.7
107.08596	31.5
109.10151	33.6
111.11722	10.8
117.07041	17.2
119.08572	39.3
121.10143	19.9
123.11733	16.6
124.49444	2.6
128.06238	3.3
129.06998	5.6
131.08548	31.1
133.10130	27.4
134.39313	2.5
135.11697	18.6
137.13263	9.5
143.08554	12.6
144.09302	6.4
145.10139	33.7
147.11679	33.3
149.13281	12.6
151.14780	4.0
156.09349	2.9
157.10094	15.1
159.11699	77.6
161.13249	37.6
163.11171	4.6
163.14857	4.1
165.12674	2.9
171.11678	11.8
173.13289	25.9
175.14821	8.0
177.12755	10.4
177.16341	4.3
179.14259	2.8
185.13237	10.4
187.14877	16.1
199.14844	20.4
201.16434	11.5
213.16422	28.0
215.17926	6.8
219.17429	3.5
227.17915	7.0
231.17580	2.7
235.24329	5.3
241.19611	13.2
247.24220	4.6
255.21136	17.1
256.33835	2.6
273.22174	5.4
283.24118	2.8
353.31931	4.9
395.36728	100.0
413.32498	6.2
413.37689	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	413.3777
Annotation	Adiantone
Peak:m/z	Relative Intensity
53.03950	1.6
55.05510	3.5
57.07087	5.3
62.84978	0.7
67.05517	4.8
69.07067	7.4
69.50226	4.5
71.08629	3.7
79.05495	9.0
81.03465	0.8
81.07054	16.5
83.04978	7.5
83.08611	2.5
85.10181	2.6
91.05462	4.0
93.07037	5.9
95.04959	0.9
95.08608	12.5
97.06529	92.9
97.10168	3.1
103.47797	0.9
105.07018	4.1
107.08596	6.0
109.06516	100.0
109.10156	7.6
110.06880	1.0
111.11715	2.5
117.07031	1.0
119.08594	4.6
121.06500	1.1
121.10141	3.9
123.08057	11.2
123.11696	3.6
125.13312	0.9
127.74664	0.7
131.08571	2.2
133.10129	3.2
135.11667	3.5
137.13269	1.8
143.08563	1.2
145.10162	4.0
147.11703	2.5
149.13290	3.3
159.11652	2.5
161.13301	1.9
163.11218	1.4
163.14828	1.8
170.06693	0.9
171.11668	1.2
173.13243	1.2
174.15630	0.7
175.14821	1.2
177.12729	1.2
185.13232	2.1
187.14757	0.9
189.16460	1.4
191.14297	1.3
193.36339	0.7
201.16412	1.2
202.22548	0.8
210.17152	0.8
213.16374	1.8
215.17989	1.4
217.15849	0.9
219.21207	0.9
241.19531	2.1
255.21100	2.4
273.21890	0.9
297.25702	1.0
348.02844	0.8
395.36755	7.4
408.29239	0.8
413.32837	2.5
413.37744	69.4
414.38083	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01863	1.3
55.05238	1.5
55.05513	52.8
57.03437	21.0
57.07077	53.7
67.05504	20.7
69.03408	1.7
69.07069	69.7
69.47986	5.4
71.05001	2.3
71.08630	33.7
73.03996	0.9
73.06549	1.4
75.04461	1.8
77.20071	0.8
79.05495	9.5
80.83534	0.9
81.06590	2.0
81.07059	31.9
83.04981	3.0
83.08618	46.0
84.08921	0.9
85.06549	3.4
85.10183	19.1
91.05471	3.2
93.07042	14.9
95.08607	32.6
97.06528	10.5
97.10172	32.6
98.20760	1.6
99.08092	2.1
99.11736	2.4
101.06010	3.1
105.07047	1.8
107.08600	11.8
109.10158	16.5
111.08089	7.9
111.11728	9.8
113.13293	1.7
115.07574	3.4
119.08513	1.1
121.10139	15.7
123.11683	6.8
125.09628	6.9
125.13277	2.6
129.09134	2.7
133.10120	0.9
135.11696	12.0
137.13263	3.2
139.11169	9.7
143.10677	2.0
149.13245	9.2
149.98042	0.8
151.14806	1.7
153.12753	6.4
157.12277	1.5
163.14833	7.7
167.14328	4.0
171.13745	1.6
177.16371	4.3
181.15886	3.5
191.17953	3.5
195.17438	3.5
199.17052	1.3
205.19566	1.8
209.19031	2.0
219.21124	2.2
221.22650	1.1
223.20499	2.0
233.22678	2.1
237.22258	2.6
247.24176	1.2
251.23680	1.2
257.72504	0.9
265.25540	1.0
303.30457	6.9
321.31476	17.6
337.79633	0.9
395.35284	14.2
413.36279	100.0
414.36609	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	413.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35595	1.5
53.03939	4.9
55.01860	7.9
55.05512	66.1
57.03435	9.4
57.07061	2.6
59.04998	1.7
67.05505	56.9
69.03426	9.9
69.07066	13.5
70.06570	2.9
71.04987	3.7
79.05492	47.3
81.03414	5.6
81.06596	3.6
81.07054	63.8
83.04981	11.0
83.08614	30.5
84.85201	2.0
85.02894	4.1
85.06549	5.7
86.09717	2.6
91.05469	23.0
93.07050	23.9
95.04940	5.1
95.08601	12.8
97.02889	3.1
97.06516	3.8
97.10171	57.5
98.20736	4.3
105.07052	12.9
107.08601	29.0
109.06519	5.1
109.10163	20.3
111.04469	1.9
111.08064	5.6
115.05484	1.7
117.07038	9.6
119.08581	7.6
121.06494	2.8
121.10159	8.7
123.04428	2.0
123.11693	6.2
125.06020	3.6
125.09631	57.9
128.26294	1.9
131.08545	6.9
133.10150	11.0
135.08058	11.6
135.11649	3.5
143.10767	2.3
145.06435	3.7
145.10150	5.4
147.08015	2.1
147.11676	3.9
149.09633	4.7
149.13245	2.7
151.11177	5.3
153.09108	100.0
155.08472	1.8
157.10081	3.3
159.11681	4.4
161.13339	3.2
167.10667	9.9
169.12209	14.1
171.10178	6.4
171.11609	3.0
176.18201	2.0
187.13286	6.6
189.11223	78.3
191.10686	2.4
225.30876	2.0
227.12718	14.8
229.19676	1.9
248.58246	2.0
248.83194	1.9
257.19077	4.0
275.20120	13.6
285.18317	3.0
293.21036	7.9
303.19513	12.9
321.20587	29.4
395.24286	76.6
396.24417	1.9
413.25464	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	413.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92297	2.0
53.03950	2.5
55.01854	2.4
55.05514	53.4
57.03197	2.2
57.03443	24.7
57.07080	49.3
67.05505	26.8
69.07070	69.0
70.06564	1.8
71.04999	2.7
71.08635	36.9
71.74667	1.5
79.05481	10.3
81.03375	1.8
81.07058	37.2
83.04966	3.3
83.08618	51.7
85.06545	4.2
85.10178	23.1
87.04462	1.8
91.05457	3.3
93.07033	16.2
95.05002	1.8
95.08608	35.5
97.06522	9.9
97.10170	31.6
101.06004	3.1
105.07039	2.7
107.08598	16.2
109.10142	17.3
111.08061	8.6
111.11714	10.5
115.07584	3.1
119.08601	3.3
121.10136	14.8
123.11717	9.2
125.09613	5.4
125.13249	2.8
129.09116	3.2
133.10101	2.2
135.11681	12.5
137.13266	3.7
139.11195	10.1
146.46254	1.7
149.13234	11.9
150.13634	1.9
152.01167	1.7
153.12787	4.4
157.10065	1.5
163.14850	6.5
167.14301	5.0
177.16368	4.0
181.15897	3.9
191.17955	3.6
195.17294	2.3
199.16881	1.7
205.19606	3.0
209.18831	2.7
219.21033	2.3
233.22885	2.3
272.83228	1.7
303.30325	8.7
321.31531	16.7
328.03925	1.8
347.93219	1.8
395.35229	19.4
413.22171	2.7
413.28702	27.4
413.36218	100.0
414.36411	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
53.51104	4.6
55.01863	13.5
55.05509	94.7
57.03435	11.6
65.03981	3.8
67.05503	99.9
69.03425	15.5
69.07067	34.9
71.04993	10.2
71.49435	5.7
75.01079	3.3
79.05492	71.2
81.03404	22.7
81.06588	7.7
81.07051	100.0
83.04977	15.1
83.08616	49.3
85.02927	6.8
85.06532	12.2
87.04427	4.3
88.06082	4.1
91.05486	52.9
93.07042	52.4
95.04966	14.4
95.08595	35.9
97.02868	4.3
97.06519	9.8
97.10169	91.2
105.07026	25.2
107.04957	9.8
107.08584	46.8
109.06532	6.2
109.10167	42.5
111.08102	6.5
113.05978	3.6
117.07022	15.6
119.08587	22.4
121.06502	9.0
121.10168	23.8
123.08083	10.4
123.11683	10.4
125.09631	84.1
129.06956	6.2
131.08556	11.7
133.10129	21.5
135.08084	22.5
135.11661	9.1
137.05971	4.7
137.09613	17.0
139.03917	4.1
139.11148	4.3
140.54810	3.6
143.08554	5.7
143.10674	6.6
145.10123	8.8
147.07957	3.9
147.11685	4.9
149.09642	13.7
149.13274	9.2
151.11168	8.9
153.09067	17.2
157.10046	4.7
159.08060	7.5
159.11638	11.4
161.09634	8.5
163.11165	7.2
165.09132	4.0
169.10123	5.7
169.12198	4.7
171.10231	9.1
173.09644	7.6
173.11757	7.0
173.13275	5.6
179.10684	3.6
187.11137	6.2
187.13251	12.0
189.11214	90.0
191.10765	5.5
195.13728	4.3
205.12279	6.6
209.11789	10.9
223.13309	16.5
227.12822	7.8
275.20126	5.2
285.18585	17.2
299.05624	9.4
303.19595	42.1
321.20578	27.9
377.23178	5.8
395.24332	13.2
413.16623	8.7
413.25699	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	413.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38959	0.5
59.04999	0.8
60.11319	0.5
67.05497	1.0
69.03417	0.5
70.06577	1.0
70.44266	1.2
70.44653	1.1
80.84607	0.5
81.03411	0.8
81.07041	1.7
89.06006	0.9
94.01547	0.5
98.20829	0.7
109.02846	0.9
115.25040	0.6
135.04405	0.6
167.92168	0.5
177.05515	0.8
185.04211	7.5
207.13489	0.7
251.12558	100.0
252.12889	1.9
269.12335	1.9
287.13443	1.1
292.21378	0.5
369.18423	1.3
413.17804	62.6
414.18121	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05032	0.8
68.48423	0.4
70.62928	1.4
74.06082	2.7
93.46550	0.5
102.05540	1.6
108.54697	0.5
119.03560	4.2
120.06578	9.2
136.06187	100.0
137.04581	1.5
139.12097	0.4
162.04115	64.2
169.11839	0.5
222.36961	0.5
268.10440	0.7
281.09937	47.1
282.10159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2224
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
55.05511	3.8
56.05068	0.2
57.05804	0.3
57.07067	0.4
62.84165	0.2
69.94526	0.9
69.94889	0.4
70.06592	1.9
72.08157	37.1
79.05498	0.4
82.06570	0.3
83.04939	0.2
83.08614	0.6
84.08131	0.5
86.09725	0.8
86.55750	0.2
91.05489	0.7
93.07050	1.0
95.04929	0.3
98.20821	0.3
100.07628	1.3
100.11262	3.4
103.05472	3.3
107.08622	0.3
110.06017	0.3
110.07155	0.6
111.04456	0.8
120.08107	100.0
121.08471	1.2
123.04445	0.5
128.07083	0.7
140.07086	0.3
141.11497	0.6
155.11279	0.3
166.08649	3.6
173.36987	0.2
182.15399	2.4
199.18062	0.4
204.66545	0.4
209.16455	0.7
210.14915	3.1
218.66273	0.3
219.14932	40.9
220.15240	0.6
220.22054	0.3
227.17613	0.4
228.15883	0.4
247.14421	10.4
263.87228	0.2
265.15533	2.9
268.21561	1.1
276.72687	0.4
326.27939	0.6
331.74631	1.4
336.22540	0.3
340.25812	0.3
343.12097	0.2
413.09097	0.3
416.65933	0.3
422.26019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17382	0.1
53.00327	0.2
53.03939	0.4
55.01870	1.9
57.03439	1.4
61.98967	0.2
63.14466	0.2
65.03928	0.2
65.31998	0.2
67.01865	0.2
68.99440	0.3
68.99778	2.0
69.03417	0.6
70.06581	0.6
70.80611	0.4
72.08144	0.3
79.05480	0.5
80.70565	0.1
81.03416	1.7
81.07033	0.2
84.08139	0.3
85.02900	2.5
86.09695	0.3
89.03902	0.4
91.05485	1.9
92.99760	0.4
93.03387	0.5
95.04952	0.5
97.02888	0.7
103.05460	0.4
105.03345	0.3
107.01310	0.2
107.04932	0.6
109.02867	1.8
109.06501	0.3
111.04458	0.2
115.05438	0.5
117.03364	0.4
119.04959	1.1
120.08061	0.2
121.02858	2.1
121.06455	0.3
123.00770	1.4
123.04379	0.3
127.03883	0.3
131.04927	0.9
133.02892	0.2
134.03575	0.2
135.04414	3.9
137.02345	10.2
137.03407	0.8
141.01810	2.2
143.04941	0.2
145.02798	0.8
147.04425	1.4
149.02342	1.3
149.05983	0.3
151.03900	0.3
153.01822	0.7
157.02980	0.2
159.04388	1.1
161.02350	3.5
161.05945	0.3
163.00258	0.7
163.03914	2.0
165.01836	22.7
166.02217	0.2
167.03354	0.8
169.02840	0.4
171.04405	0.3
173.02344	0.5
175.03914	1.3
176.01160	0.2
177.01868	0.8
177.05443	1.7
178.99722	0.6
179.03392	2.3
181.01338	0.2
181.04996	0.6
183.02879	5.0
187.03902	3.1
189.01846	1.6
190.02660	0.8
190.99771	0.8
191.03395	0.8
191.08592	0.2
193.04910	0.2
193.10120	0.2
195.02838	0.2
199.03935	0.3
202.02628	0.3
203.03394	2.2
205.01395	0.3
205.04948	2.3
205.06718	0.2
207.02867	0.6
209.00790	0.3
215.03392	1.6
219.08141	0.3
221.04408	0.4
229.04932	0.5
231.02863	0.6
233.04449	1.0
243.02937	1.2
244.03413	0.2
245.04494	0.7
247.07623	0.2
249.03835	0.3
255.06567	0.3
258.05206	0.3
261.03918	0.5
265.08615	0.2
270.05103	0.3
271.05960	0.8
275.07181	0.2
279.06421	0.2
282.05075	0.4
283.06027	4.0
283.09280	0.1
285.03812	0.4
286.04626	1.2
287.05481	7.7
288.05798	0.3
289.03479	0.6
293.08115	0.6
295.05997	3.3
296.06638	0.5
297.03967	0.9
297.07574	3.9
299.05490	100.0
300.05978	2.8
303.06323	0.4
305.08038	0.3
307.05978	0.4
309.07462	1.8
310.04651	0.3
311.05475	6.4
311.09137	5.7
312.06113	0.3
313.03403	1.6
313.07068	4.8
319.06268	0.3
321.07584	5.2
323.05484	4.7
324.06271	5.0
325.03384	3.4
325.07059	8.8
326.04001	0.2
326.07391	0.3
327.05081	1.7
327.08545	0.3
329.06519	2.9
335.05310	0.2
336.06384	0.5
337.07025	6.3
337.11075	0.3
338.07581	0.4
339.05243	1.6
339.08621	31.9
340.08786	0.8
347.05878	0.2
349.07062	7.1
351.05099	1.1
352.05704	0.5
353.06564	4.7
365.06561	26.4
366.07028	0.6
367.08124	8.6
368.08353	0.3
377.06549	11.6
378.06833	0.3
382.64438	0.2
383.07587	7.9
384.08026	0.3
395.07605	25.4
396.07977	0.6
413.08664	36.2
414.09097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.9
55.05498	3.2
57.03440	18.8
57.36745	1.9
61.02925	15.1
69.03432	35.9
70.68626	2.5
70.68954	5.7
71.01352	4.2
71.05000	4.0
73.02921	91.3
81.03410	7.1
81.11089	2.2
82.49356	1.9
83.08598	3.1
85.02904	100.0
87.04477	6.2
91.03944	6.1
92.85474	2.0
93.07040	2.6
97.02300	4.4
97.02895	57.8
99.04440	6.0
103.03914	3.4
104.80686	2.3
109.02888	8.5
111.08096	3.9
115.03922	23.3
127.03900	33.6
133.04977	39.8
145.04965	47.8
150.07664	3.9
163.06021	22.7
167.10666	2.7
215.12775	2.9
223.05962	4.3
233.13789	2.3
241.07033	7.3
259.08179	8.3
263.14951	4.3
277.09232	2.9
412.20151	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05511	15.7
57.07059	8.1
62.93456	2.0
67.05506	24.4
69.03423	2.8
69.07070	25.8
69.62621	6.8
69.63055	5.8
71.05000	4.3
71.08630	3.6
79.05479	18.4
81.03399	2.0
81.07059	52.2
83.08624	12.6
84.08144	9.8
85.06528	6.8
85.10191	2.1
91.05476	15.4
93.07049	36.3
95.04952	4.5
95.08609	100.0
95.25666	2.5
97.10159	6.4
105.07018	22.5
107.07896	3.2
107.08595	50.3
109.10164	55.5
111.08045	5.6
111.11686	2.4
113.09637	14.4
119.08576	34.9
121.10149	47.9
123.04429	2.8
123.11714	21.8
125.09631	2.6
131.08549	10.3
133.10141	37.8
135.11691	24.7
137.13223	7.9
145.10126	13.0
147.11681	29.2
149.09653	2.7
149.13264	28.1
151.14903	3.4
157.10129	5.0
159.11691	12.2
161.13249	15.3
163.11162	2.7
163.14839	16.6
171.11696	4.3
173.13239	8.1
175.14825	12.5
177.12636	3.3
177.16376	6.1
184.07298	3.5
185.13205	3.5
187.14769	5.3
189.16391	15.0
191.17949	61.5
199.14874	2.6
201.16336	9.4
203.17932	22.5
205.19536	6.6
207.17419	4.9
210.66270	2.3
213.16354	2.4
215.17952	9.2
217.19543	15.1
219.17435	7.0
221.19037	6.3
227.17873	5.4
229.19455	2.9
231.21060	3.4
233.19029	5.5
241.19460	3.2
243.20892	3.6
245.18895	3.7
247.20764	2.5
257.22601	4.4
271.24173	2.2
285.25748	3.0
323.27438	2.1
351.41525	2.1
393.35107	13.0
411.10864	2.5
411.20413	2.1
411.30295	3.3
411.36221	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.3
57.03426	14.1
59.05000	1.7
61.02931	12.5
64.32523	1.4
69.03431	30.3
69.28424	15.4
70.06584	2.8
71.04992	2.1
72.08144	1.8
73.02914	74.5
73.82319	1.4
81.03400	7.2
83.08607	2.4
84.08140	4.7
85.02902	100.0
86.09715	5.6
87.04470	4.9
88.86219	1.5
91.03934	5.5
97.02886	57.4
99.04439	4.6
109.02849	9.3
110.07182	2.0
110.55784	1.6
115.03929	27.7
122.32430	1.5
127.03895	30.7
129.10210	4.7
133.04024	3.1
133.04967	42.1
136.07587	2.8
145.04956	58.0
147.36749	1.6
163.05998	30.3
171.24454	1.8
182.50656	1.7
192.16284	1.6
199.06116	2.4
217.07072	2.7
223.06071	5.5
241.07011	5.9
259.08118	12.5
263.14871	7.9
274.08139	2.0
277.09045	2.5
283.54886	1.7
295.10248	4.8
326.14124	2.7
330.39996	1.6
339.08780	2.1
412.20584	3.6
413.09198	1.8
413.21848	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	411.3623
Annotation	5-Dehydroavenasterol
Peak:m/z	Relative Intensity
51.59588	1.6
54.00310	1.5
55.05521	13.2
57.07079	12.1
65.03920	2.4
67.05508	21.0
69.07069	26.1
70.80286	4.7
71.04996	2.4
71.08643	10.2
77.84500	1.5
79.05481	11.9
81.06592	2.8
81.07061	37.9
83.05045	1.8
83.08625	12.0
85.06535	1.9
85.10184	6.7
91.05479	14.7
93.07053	19.6
94.18726	1.6
95.04945	1.7
95.08617	56.0
97.06549	1.5
97.10170	9.5
100.43261	1.7
105.07039	23.7
106.56673	1.7
107.08593	20.7
109.10177	24.7
111.11711	6.5
113.48536	1.9
117.07033	6.6
119.08575	21.4
121.06473	2.5
121.10152	16.6
123.11704	16.6
125.13288	3.8
129.07019	7.5
131.08568	16.4
133.10175	14.4
135.11694	12.9
137.13251	13.9
142.07793	6.9
143.08582	7.9
145.10123	24.8
147.11717	14.8
149.13274	10.9
155.08568	2.7
157.10123	18.1
159.11699	22.2
161.09682	1.9
161.13245	8.7
163.11188	3.2
163.14851	7.6
165.16405	1.9
169.10152	5.7
171.11710	7.3
173.13274	9.6
175.11172	16.5
175.14856	4.1
177.12772	3.8
177.16415	2.6
179.17871	2.3
183.11742	2.7
185.13260	5.5
187.14845	9.4
189.12764	6.0
191.14322	2.9
191.17976	4.4
192.66988	1.8
197.13307	6.1
199.14769	5.3
201.16431	6.9
203.14322	1.7
205.15991	1.6
205.19662	2.7
211.14815	4.7
213.16373	6.5
215.17902	2.3
217.15895	1.9
218.30215	1.6
219.17471	2.4
225.16426	4.1
229.19514	3.8
233.22699	1.9
239.18013	4.9
241.19633	1.9
247.24339	2.5
253.19531	5.5
255.21092	2.1
259.42191	1.7
267.21292	2.1
269.22595	2.7
273.22391	2.8
273.26135	2.8
295.24246	3.1
297.25723	2.5
348.02194	2.0
372.43399	1.9
381.35052	2.1
383.36908	4.1
393.35162	29.5
411.36243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01765	1.9
55.05501	7.8
57.07077	96.1
58.04212	3.2
59.05007	19.7
67.05508	12.0
69.07072	10.4
71.08632	100.0
72.05781	2.8
73.02924	2.8
79.05484	4.5
81.07061	17.5
83.08601	6.6
85.10184	93.7
87.04472	13.6
88.48524	2.0
88.72964	2.1
89.06017	5.5
90.01916	21.6
91.05470	5.3
93.07048	10.5
95.08611	19.5
97.10184	3.6
99.11725	10.4
105.07046	4.7
107.08604	9.3
109.10148	15.4
119.08567	5.9
121.10131	6.5
121.58006	2.1
123.11715	4.7
133.10133	5.1
135.11707	6.5
141.16364	8.2
143.08597	2.7
145.10083	6.0
147.11641	4.6
149.13229	5.6
157.10126	3.5
159.11711	4.4
161.13243	4.8
178.07033	2.1
185.19087	2.6
187.14841	2.8
196.08145	2.2
199.20587	8.0
203.17943	2.9
215.17990	2.2
217.19490	3.1
240.10677	4.2
243.23228	2.7
271.70261	2.6
393.34845	2.9
411.36572	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	411.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80519	1.9
53.03934	2.1
53.06995	2.1
55.01873	3.5
55.05509	17.4
57.03447	9.7
57.07077	100.0
62.00872	1.9
65.03937	2.4
67.05505	30.5
69.03411	2.8
69.07068	7.2
69.40962	15.9
71.04993	4.7
78.89511	2.2
79.05502	22.7
81.03416	39.3
81.07056	36.7
83.04967	8.6
83.08627	19.4
84.00767	1.9
85.02902	21.2
91.05475	25.3
93.07047	14.5
95.04972	19.8
95.08622	11.0
97.06501	3.4
97.10168	4.2
98.20769	3.8
105.07039	18.5
107.04934	4.9
107.08593	10.5
109.06541	3.8
109.10152	17.2
111.08085	9.9
117.07026	3.2
119.08611	13.4
121.06529	1.8
121.10164	12.1
123.04452	2.5
123.08067	2.4
123.11673	3.2
125.09636	4.1
127.11198	39.9
129.06975	5.1
129.35085	2.3
131.08569	8.0
133.10127	5.6
135.08032	2.0
137.05966	2.0
142.07773	2.7
145.06528	2.1
145.12233	1.8
147.11681	14.6
149.09618	4.1
149.13255	3.2
155.89769	2.1
157.10120	8.4
163.03954	3.3
165.12741	4.8
174.30980	2.0
175.11246	10.7
177.12746	2.2
187.30092	1.8
188.81120	2.6
193.12250	42.4
199.13217	2.5
201.14900	5.5
209.07709	2.1
211.13295	41.1
264.60553	1.9
267.15979	6.3
269.17435	4.3
393.26715	2.6
411.10962	3.8
411.27438	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	411.1988
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
55.01870	0.8
55.05510	1.2
60.04498	0.8
70.06607	4.7
71.49745	0.7
72.08144	3.0
74.06052	0.8
79.05508	1.1
84.04493	1.5
84.08158	4.1
85.02882	1.6
86.09717	9.1
86.71520	0.6
91.05478	1.5
91.83755	0.7
93.07067	1.5
94.06619	0.7
95.04990	1.6
95.63854	0.7
98.97537	1.0
100.11234	1.0
107.04935	1.1
107.08581	1.3
109.02893	1.0
109.10145	1.1
110.07175	0.7
111.04417	1.0
114.09151	1.4
119.04907	0.9
119.08670	0.8
120.08109	4.6
121.10144	0.8
123.04441	5.3
127.03851	0.7
129.10251	2.1
133.10144	0.9
135.04414	2.2
137.98291	0.7
139.03899	5.4
141.10234	0.9
142.08643	2.1
145.10178	0.8
147.04401	2.1
151.03911	1.4
151.07492	0.7
151.73891	0.8
161.06003	2.1
163.03856	4.7
182.15353	0.9
185.05946	0.7
189.05533	0.9
207.06525	1.6
213.05438	1.4
241.04904	1.4
241.19238	0.9
243.06509	0.8
247.06233	1.1
259.06049	5.1
273.07535	6.6
337.21045	1.1
368.25482	2.2
411.10733	6.4
411.19882	100.0
412.20157	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	411.1993
Annotation	Flumethasone
Peak:m/z	Relative Intensity
62.26989	0.4
64.13683	0.3
69.15376	4.4
70.06583	0.6
85.02865	0.5
86.09690	1.0
120.24248	0.4
123.04456	0.6
123.55221	0.4
139.03909	0.5
225.46526	0.5
272.37732	0.5
347.13528	0.9
393.14273	0.5
411.19919	100.0
412.20291	3.0
431.43228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33783	0.4
53.03923	0.5
55.01865	1.0
55.05497	2.1
56.05046	0.6
58.71824	0.5
58.74274	0.5
59.04927	0.5
67.05494	1.2
69.03427	0.9
69.07045	0.8
70.06597	2.4
70.13365	1.3
72.08145	1.0
79.05482	0.9
81.03385	0.7
81.07059	1.9
83.04964	1.3
83.08607	2.0
84.04465	0.6
84.08134	1.1
85.02908	0.9
86.09689	1.3
91.05479	1.2
93.07051	1.1
95.04928	1.0
95.08583	1.2
100.11284	0.6
103.05502	0.5
105.07027	1.2
107.08586	1.7
109.10133	1.5
110.75234	0.5
111.08073	0.6
117.07092	0.5
119.04931	1.4
119.08643	1.1
120.08113	1.8
121.06443	0.5
121.10108	0.7
123.04431	11.9
123.11633	0.6
127.03925	1.0
129.10156	0.5
131.04936	0.7
133.06526	0.7
135.04428	1.5
135.11636	0.6
136.07533	0.8
137.02277	0.8
143.04924	1.3
145.02873	0.5
147.04410	2.7
147.07899	0.6
151.11182	1.6
151.93570	0.6
153.23387	0.5
159.11755	0.6
161.05980	4.1
163.03911	5.9
165.05510	0.8
167.14316	2.0
173.13266	0.6
179.07033	1.6
190.15588	0.5
191.10513	1.0
196.11237	0.5
201.05583	0.5
201.19472	0.5
203.05272	1.5
205.04950	0.6
207.02885	0.9
207.06511	3.7
209.15385	0.8
215.07323	0.5
217.05002	0.4
231.13544	3.7
241.04919	1.0
247.06075	1.8
249.14661	0.8
249.81461	0.5
259.06030	2.7
271.06021	0.5
275.40540	0.5
393.09760	0.5
406.92557	0.5
411.10782	10.6
411.19904	100.0
411.80283	0.5
412.20209	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	410.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00372	1.3
53.14115	1.0
55.05509	2.0
57.03428	1.9
57.07079	49.5
59.04718	1.7
59.05004	34.3
67.05511	1.9
69.07058	4.0
69.79310	1.1
69.85018	2.2
69.85429	4.0
71.08634	100.0
79.05499	1.4
81.03407	1.4
81.07039	1.2
85.10185	56.7
89.06030	16.0
90.23634	1.0
91.05453	1.0
93.07018	1.8
95.04974	1.2
95.08582	2.2
98.21459	1.3
101.09666	2.5
103.07552	2.8
105.07033	5.5
107.08581	1.7
109.10169	1.7
117.09119	5.3
119.08561	1.2
127.14851	6.4
133.08604	9.3
133.10101	1.3
151.09634	5.8
165.12779	1.9
185.19014	16.6
191.12758	6.1
209.13831	3.8
243.23245	8.7
249.17082	1.5
393.31992	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	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03946	1.9
55.05513	7.1
57.07080	13.2
67.05507	23.8
69.07073	18.0
71.08632	5.8
79.05494	9.0
81.07059	69.3
82.07378	1.2
83.08620	7.8
85.10168	3.0
86.09722	1.9
89.15425	1.1
91.05465	5.5
93.07051	16.7
95.08611	100.0
97.10165	5.0
105.07037	10.5
107.08595	24.4
109.10161	41.2
109.10780	0.7
109.10926	1.3
111.11720	2.1
119.08589	14.3
121.10141	23.2
123.11703	22.9
125.13320	1.6
125.49741	1.3
129.36082	1.3
131.08537	2.9
133.10167	10.7
135.08141	1.2
135.11699	19.9
137.05940	1.4
137.13261	57.0
145.10150	4.4
147.11659	9.7
149.13271	13.8
151.07529	5.0
151.14827	4.1
159.11708	5.6
161.13275	9.6
162.36928	1.2
163.07430	1.4
163.14830	11.5
165.16374	1.9
173.09608	1.3
173.13275	5.6
175.14760	6.7
177.16371	5.0
179.17944	1.6
187.14845	5.2
189.16382	8.6
191.10698	1.3
191.17990	5.9
193.19598	1.6
200.11926	1.1
201.16403	4.4
203.18005	6.9
205.19522	3.0
215.14311	1.3
215.17955	7.4
217.19511	6.9
219.21066	2.0
228.93683	1.6
229.19551	6.0
231.21057	4.7
243.21092	2.2
245.22704	2.0
257.22711	5.5
259.24231	7.9
271.24234	7.2
285.25729	3.7
353.31946	1.7
409.33627	2.0
409.38409	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	409.3828
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.47193	2.8
53.03943	3.5
55.05506	28.9
57.07084	17.1
62.40988	2.8
64.26864	2.8
67.05505	34.2
69.07068	60.8
70.62862	3.3
70.63219	8.8
71.08649	3.8
79.05476	17.3
81.07054	87.2
83.08617	25.4
89.72655	3.9
91.05466	15.6
93.07042	44.5
95.08607	92.1
96.18005	2.9
97.10165	12.0
105.07025	30.3
107.07880	4.5
107.08589	60.9
109.10155	69.8
109.61003	3.4
111.11716	5.0
118.87965	2.8
119.07787	5.1
119.08573	35.9
121.10136	47.4
121.68545	2.8
123.11695	38.8
131.08575	12.8
131.39937	2.8
133.10118	30.6
135.11693	30.8
137.13280	15.9
145.10101	19.7
147.11717	29.1
149.13266	29.5
151.14751	3.9
157.10109	7.2
159.11726	20.5
161.13300	22.6
163.14819	14.3
171.11736	5.9
173.13295	15.8
175.14774	14.1
177.16393	10.6
185.13307	6.2
187.14807	12.4
189.16393	12.9
191.17949	9.3
199.14764	5.4
201.16386	10.4
203.17990	10.9
205.19511	3.5
213.16405	5.7
215.17964	14.7
217.19479	10.4
218.62889	2.8
229.19522	6.6
231.21083	9.8
243.21152	4.2
245.22600	4.2
255.21291	4.2
257.22641	9.6
257.92166	3.0
259.24240	6.0
271.24097	6.3
285.25760	6.6
297.25800	5.4
299.27240	5.6
311.27155	3.5
313.28958	3.6
325.28900	4.9
327.30362	7.1
339.30396	6.8
367.33682	4.8
409.38287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05513	20.0
57.07071	10.1
67.05506	28.1
69.07067	55.6
69.59283	1.8
70.74183	5.0
71.08620	3.8
74.55342	1.8
78.36584	1.9
79.05496	15.3
81.07053	88.3
81.07536	4.3
82.07361	2.5
83.08617	17.5
91.05470	11.2
93.07051	32.3
95.08608	100.0
97.10166	15.0
105.07038	23.9
107.08592	45.0
109.10157	70.6
111.11727	6.6
117.40373	1.8
119.08591	32.3
121.10139	49.7
123.11716	35.7
123.87893	2.0
125.13261	3.4
131.08563	10.0
132.60345	2.0
133.10118	28.1
135.11690	38.8
137.13263	19.7
139.36734	1.8
145.10110	15.0
147.11684	31.8
149.13258	30.1
151.14807	3.2
157.10181	3.3
159.11676	13.3
161.13254	22.7
163.14848	20.5
165.16451	1.8
171.11722	2.0
173.13228	14.2
175.14848	12.3
177.16405	13.3
187.14876	10.3
189.16348	10.1
191.17975	20.9
199.14818	2.6
201.16461	10.1
203.17967	17.1
205.19598	9.9
213.16458	2.4
215.17937	12.0
217.19550	19.6
224.24387	1.9
229.19530	12.9
231.21100	10.0
243.21146	5.3
245.22691	5.4
257.22641	10.1
259.24316	5.6
271.24356	15.0
285.25760	9.6
299.27475	4.3
303.51151	2.3
325.28586	2.9
327.30453	5.3
339.30191	2.3
353.32114	3.5
366.32678	2.3
367.33569	2.2
409.38315	98.0
410.38629	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
57.07057	2.3
59.04992	1.0
59.89845	0.9
67.05502	8.2
69.03397	0.9
69.07064	2.7
69.76874	5.6
71.04987	8.2
71.08635	2.2
79.05496	5.2
79.34216	0.9
81.07060	9.0
83.04996	1.2
83.08627	1.3
85.06521	1.4
85.10192	1.6
89.06015	2.9
90.06344	1.3
91.05488	6.4
93.07041	14.9
95.04966	1.6
95.08611	18.1
101.67416	0.8
104.52234	0.9
105.07030	13.7
107.08587	5.9
108.05669	1.2
108.98364	0.9
109.06514	2.7
109.10172	5.8
111.04443	1.6
111.08078	3.3
113.09644	2.0
117.07014	1.7
119.08590	10.5
121.06533	1.5
121.10154	11.7
123.08078	9.1
123.11701	2.1
125.06017	1.0
127.38194	0.9
128.06221	0.9
128.87691	0.8
130.07828	0.9
131.08611	4.8
133.08633	1.1
133.10071	4.2
135.08058	6.2
135.11668	3.6
137.09625	1.4
143.08545	1.7
145.10112	7.3
147.11700	5.0
149.09497	1.3
149.13240	1.8
151.07544	100.0
157.10121	3.1
159.08090	1.0
159.11699	4.3
161.09564	1.3
161.13217	3.4
163.11168	1.7
165.09058	2.5
171.11668	1.4
173.09596	1.6
173.13187	1.2
175.07588	2.3
175.14868	1.7
176.08345	2.1
177.09097	12.3
179.88025	1.1
187.14775	2.6
187.38234	1.0
188.08366	2.8
189.09096	15.7
189.12712	1.5
189.16431	1.3
191.10670	29.3
191.14397	1.1
191.17804	1.2
195.12248	1.9
197.28032	1.0
201.09084	2.1
201.16362	1.8
203.10649	8.1
205.12222	4.4
213.16306	1.1
215.10670	3.5
217.12262	5.4
227.10655	1.9
229.12157	2.7
241.12198	2.0
243.13719	1.3
255.13814	1.4
257.15332	2.4
259.16962	1.3
269.15341	1.6
286.14142	1.0
325.21329	1.6
329.52655	1.0
351.23123	1.1
381.24136	1.4
391.26334	2.1
409.27335	25.7
409.33551	1.4
419.21548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.8
57.07079	12.2
59.04986	4.9
60.73408	4.1
67.05500	37.5
69.07068	26.2
71.04980	5.0
71.08630	20.5
71.49821	7.2
71.76809	4.4
79.05485	26.0
81.07057	55.6
83.08617	12.0
85.10165	7.0
89.06075	5.9
91.05478	29.0
93.07032	50.5
95.08607	70.2
96.08936	5.4
97.10170	7.8
103.03938	5.4
105.07034	48.0
107.08594	78.2
109.06532	4.7
109.10172	36.8
111.08099	7.1
111.11758	6.5
115.05500	5.0
119.08591	46.0
121.10136	45.1
122.44997	4.4
123.11698	13.8
123.60177	4.2
131.08557	19.3
133.10117	36.7
135.11681	73.0
137.13242	9.5
137.41719	5.8
143.08568	9.9
145.10115	26.5
147.11711	42.1
149.09572	6.3
149.13277	19.9
157.10091	9.1
159.11655	31.6
159.12756	4.3
161.13268	33.2
163.14812	15.4
171.11670	6.1
173.13245	15.6
175.14816	15.0
177.12755	4.6
177.16370	9.6
183.11687	6.0
187.14854	7.8
189.16426	28.4
191.17947	100.0
199.14737	8.2
201.16292	25.2
203.17955	20.6
205.15860	7.3
211.14835	4.9
213.16328	4.9
215.17928	7.1
217.15881	5.0
219.17543	7.7
253.19704	5.0
325.28934	11.9
335.09744	4.6
391.33591	10.4
409.26996	5.1
409.34702	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.05511	18.0
57.07079	6.6
59.05003	3.7
67.05502	28.9
69.07065	23.2
69.51089	8.8
69.51499	11.6
69.74895	3.8
71.04980	13.8
78.12172	2.8
79.05505	20.0
81.06593	5.1
81.07056	88.5
83.08621	7.4
83.84055	3.0
85.06515	5.5
91.05476	23.5
93.06133	3.1
93.07053	67.5
95.04970	4.0
95.08611	100.0
95.45255	2.8
97.10160	10.9
101.33357	3.0
103.05395	3.0
105.06396	4.8
105.07035	53.8
107.08593	69.4
109.06503	3.8
109.10162	53.1
111.08081	9.0
111.11703	3.1
117.06992	6.4
119.07807	5.6
119.08584	66.5
121.10157	52.5
123.11700	29.9
131.08571	11.7
132.23616	2.8
133.10135	33.4
135.11691	37.4
137.09613	5.6
137.13208	12.7
143.08655	3.1
145.10182	21.9
147.11708	42.6
149.13257	49.8
157.10143	10.2
159.11723	31.3
161.13237	32.7
163.14806	19.5
171.11687	9.6
173.13261	18.4
175.14812	15.1
177.12756	3.3
177.16406	7.9
179.98065	3.4
185.13272	8.9
187.14787	15.4
189.16388	25.0
191.17955	22.6
199.14848	5.6
201.16400	16.6
203.17957	13.4
205.19490	3.5
213.16385	9.9
215.18011	10.5
217.19527	26.0
227.17958	11.8
229.19467	9.6
231.21097	11.7
239.18158	3.8
241.19359	3.9
243.21114	6.9
255.21082	4.5
257.22623	7.4
259.24191	12.0
281.22614	4.1
295.24005	3.8
325.28909	4.7
351.30356	12.3
391.33490	13.2
392.44058	3.5
409.34125	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01854	3.6
55.05515	25.6
57.03423	2.9
57.07078	12.8
59.04986	2.9
61.68683	1.7
65.03928	4.1
67.05503	25.1
69.03421	7.0
69.07076	12.8
71.04976	2.8
71.08614	7.7
76.14481	2.0
77.03940	2.5
77.21777	1.8
79.05492	23.8
81.03419	2.5
81.06595	2.6
81.07056	39.4
83.04974	5.2
83.08602	8.7
85.06550	3.4
91.05481	37.4
93.06491	2.9
93.07049	51.3
95.04971	46.3
95.08607	41.6
97.06519	7.8
97.10182	4.6
103.05443	5.3
105.07030	100.0
106.07278	1.9
107.08602	25.3
109.06543	9.8
109.10163	14.3
111.08088	4.0
111.90342	2.3
115.05455	2.5
117.07009	15.1
119.08583	66.0
121.06506	16.2
121.10142	20.9
123.08083	15.8
123.11707	2.9
128.06195	4.1
129.06996	8.6
130.07796	5.6
131.08585	20.6
132.09492	1.9
133.06516	4.0
133.10126	20.3
135.08063	14.8
135.11687	9.5
137.09631	9.5
139.11179	2.2
141.07011	5.1
142.07784	15.3
143.08571	14.2
144.09315	3.4
145.10121	37.4
146.10808	2.3
147.08054	17.3
147.11690	38.5
149.09651	10.0
149.13217	4.7
151.07562	18.6
151.11159	2.1
155.08569	10.6
156.09325	6.7
157.10130	21.3
157.68088	2.2
158.11047	2.3
159.08066	4.2
159.11688	17.9
161.09596	8.0
161.13191	9.5
161.99959	2.0
163.11156	3.5
163.14859	2.7
165.09116	34.7
167.08589	3.6
168.09412	2.9
169.10083	9.5
170.10846	3.2
171.11696	9.7
173.09598	7.2
173.13257	7.3
175.11206	23.7
175.14790	4.8
177.09047	5.4
177.16307	2.4
183.11687	10.4
185.09727	2.0
185.13239	7.0
187.11151	4.7
187.14771	4.7
189.12726	7.1
191.14325	2.4
193.19885	2.1
195.11819	3.0
196.12297	2.6
197.13206	5.0
199.11215	2.9
199.14752	3.2
201.12885	9.4
201.16473	2.9
203.14323	13.6
203.18073	2.3
207.11967	2.2
207.13832	9.6
209.13222	2.3
209.15385	2.5
211.14828	5.1
213.12762	4.8
213.16418	2.6
216.15077	2.7
219.13771	6.0
221.13365	2.9
221.15363	64.4
222.15678	2.1
227.14275	4.0
229.15881	6.1
231.13713	2.2
233.15364	4.3
234.16098	16.2
243.13733	2.1
286.19357	3.0
287.20004	7.4
300.20752	3.7
307.29999	2.9
329.21051	5.6
335.29605	1.9
371.31650	3.2
391.26230	5.0
409.22488	3.8
409.27289	37.6
409.33417	21.7
411.32941	2.0
420.49066	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35903	1.7
52.91050	1.8
53.03942	5.3
55.01857	2.0
55.05508	20.8
57.07074	12.1
59.31689	1.9
65.03934	2.3
65.17741	2.1
67.05502	18.0
69.03420	7.4
69.07048	6.3
69.20206	6.9
69.20628	16.3
71.08630	6.2
79.05495	17.1
81.03399	3.5
81.07058	26.1
83.05000	3.7
83.08648	2.2
85.06548	3.1
85.10168	7.3
91.05479	33.5
91.42833	2.1
93.06487	3.2
93.07043	44.0
95.04973	42.8
95.08613	25.5
97.06515	6.2
103.05444	4.2
105.07031	100.0
107.08598	21.2
109.06543	10.3
109.10155	8.4
111.08008	2.8
115.05441	3.1
117.07018	15.8
119.04994	2.2
119.08587	61.9
121.06493	16.1
121.10127	14.6
123.08055	15.2
128.06206	3.1
129.06990	7.0
130.07697	2.9
131.08578	22.7
133.06512	5.3
133.10109	15.5
135.08029	12.3
135.11705	2.5
137.09619	7.4
141.06943	4.8
142.07765	10.2
143.08575	13.8
144.09375	3.1
145.10133	37.0
145.11246	1.4
147.08025	16.8
147.11688	38.2
149.09608	8.5
151.07553	19.7
153.09103	2.7
155.08557	8.7
156.09386	3.9
157.10118	19.6
159.08037	5.0
159.11705	11.3
161.09615	6.1
161.13223	6.0
163.11159	5.7
165.09128	31.4
168.09332	5.9
169.10127	6.9
171.11676	7.3
173.09581	3.5
173.13272	5.7
175.11177	28.4
177.09010	2.7
178.09871	2.5
181.10117	5.6
183.11670	8.7
185.13336	3.1
187.11258	5.8
187.14906	3.5
189.12837	4.7
191.14241	3.1
193.10080	2.3
196.12437	2.4
197.13258	2.3
201.12753	9.8
203.14363	13.2
207.11798	2.5
207.13821	7.5
209.15419	4.4
211.14842	5.0
215.14366	2.7
219.13773	5.0
221.15369	60.3
229.15741	2.5
231.13632	3.0
233.15382	4.4
234.16179	18.9
236.92067	2.3
286.19275	3.9
287.20065	5.7
300.20837	5.1
329.21194	7.0
391.26355	6.8
409.27350	41.8
425.22589	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01870	2.5
55.05518	22.8
57.03429	1.8
57.07066	8.8
59.05000	3.0
61.98146	1.7
65.03961	3.2
67.05214	1.7
67.05516	14.6
69.03419	6.2
69.07060	7.1
69.19789	13.9
69.20195	4.8
71.08620	5.6
79.05493	20.7
81.03413	2.5
81.06609	2.6
81.07059	27.9
82.01003	2.4
83.04978	5.9
85.06530	4.4
85.10169	4.7
89.06026	3.7
91.05479	34.3
93.07042	41.6
95.04379	3.1
95.04971	44.4
95.08614	27.1
97.06516	6.2
97.07078	2.0
98.21575	4.4
103.05410	2.6
105.07034	100.0
107.08593	23.0
109.06501	11.2
109.10149	9.0
111.08100	2.3
115.05418	2.8
117.07024	13.3
119.04874	2.1
119.08582	67.6
120.63943	1.9
121.06521	15.2
121.10153	14.3
123.08069	16.1
128.06216	5.5
129.07008	6.8
130.07779	3.9
131.08572	21.0
133.06459	3.2
133.10133	17.0
135.08051	14.3
135.11656	4.8
137.09616	8.0
141.06972	3.2
142.07805	12.7
143.08571	15.5
144.09367	4.0
145.06422	2.8
145.10124	33.4
147.08057	14.0
147.11691	42.3
149.09615	14.1
151.07547	16.7
153.06956	3.4
153.09134	2.4
155.08549	7.1
156.09331	2.4
157.10127	18.0
159.08081	5.3
159.11713	15.8
161.09615	8.2
161.13257	4.0
163.11192	3.9
165.09129	27.5
167.08563	3.2
168.09341	4.5
169.10114	8.8
170.10973	2.8
171.11656	7.4
171.92447	2.0
173.09636	5.7
173.13304	5.0
175.11180	26.4
177.09048	3.6
181.10144	4.8
183.11598	10.2
185.13281	4.4
189.12752	6.3
193.10152	3.1
197.13257	3.5
199.11307	2.3
199.14786	2.8
201.12730	9.9
203.14313	16.2
207.13776	5.9
209.13319	4.8
209.15327	2.9
211.14844	7.0
219.13770	6.8
221.13394	2.6
221.15358	62.2
229.15829	4.5
231.13805	4.5
233.15463	3.9
234.16109	13.5
241.65070	2.4
260.16055	2.9
264.17700	2.0
287.20129	6.7
300.20825	5.8
329.21112	4.2
391.26035	3.9
409.27377	35.6
410.27441	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22259	1.8
55.01873	2.1
55.05510	13.7
57.03432	3.3
57.07078	63.1
58.68511	1.6
59.05010	1.8
60.63018	1.8
62.64648	1.9
67.05506	34.5
69.07065	9.5
69.47131	3.6
69.47539	11.1
71.05009	1.9
73.02903	1.8
79.05501	24.5
81.03385	2.7
81.07058	22.5
83.04983	4.6
83.08620	6.3
85.06519	2.7
87.69968	1.9
88.44307	2.0
91.05481	13.6
93.07049	37.3
95.04955	9.1
95.08611	45.4
97.02884	2.1
97.06480	3.8
97.10222	2.3
98.21513	2.2
99.04468	2.1
105.07033	8.3
107.04948	7.7
107.08596	30.7
109.10178	10.3
111.08086	3.7
117.07020	7.2
119.08577	7.0
121.06513	5.7
121.10159	9.1
123.04488	2.1
125.05985	2.5
127.11196	18.2
131.08611	2.2
133.10103	4.4
135.08089	2.4
135.11688	39.6
136.66400	2.0
137.88287	1.8
143.08578	1.7
145.10121	26.3
149.09615	1.7
154.85596	1.8
157.10118	4.1
159.10239	1.8
159.11595	2.4
163.11186	52.7
169.10213	2.1
181.12201	9.0
192.71947	1.9
198.88240	1.8
204.54248	1.8
209.11813	2.5
227.12798	100.0
270.86273	1.9
317.20959	9.3
391.24890	3.2
409.09497	2.4
409.25940	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	409.2584
Annotation	Asebotoxin II
Peak:m/z	Relative Intensity
53.03940	3.9
55.01863	5.3
55.05515	24.8
57.03444	7.1
57.07078	3.1
65.03932	2.9
66.92023	1.1
67.05138	2.0
67.05502	36.6
69.03407	1.6
69.07060	11.3
70.06582	1.9
71.04990	3.1
71.49506	2.1
72.08224	1.2
79.05490	30.1
81.03408	5.3
81.07057	32.7
83.04958	3.2
83.08622	11.5
85.02901	2.8
85.06540	2.3
91.05476	19.4
93.07040	24.0
95.04968	31.8
95.08603	17.5
97.06512	3.5
97.10165	16.2
105.07037	16.2
107.04964	7.6
107.08582	17.8
109.06536	8.0
109.10162	13.8
111.04482	1.7
111.08123	2.9
117.07027	9.8
119.08585	11.1
121.06509	6.3
121.10148	9.7
123.04438	1.3
123.08060	5.1
125.09616	10.3
128.06255	1.3
129.06999	5.4
131.08578	12.3
133.10126	7.4
135.08029	4.5
135.11673	6.9
137.09627	2.1
143.08560	5.1
145.10121	12.2
147.08069	2.2
147.11674	5.4
149.09613	4.2
152.50598	1.2
153.09116	2.4
155.08583	2.2
157.10155	8.7
159.11687	7.2
161.09679	2.1
163.11128	8.6
165.12758	1.8
169.10126	4.4
171.11713	7.0
173.09612	3.6
173.11755	2.8
173.13142	1.4
175.11029	1.3
177.12793	3.1
183.11699	1.5
185.09608	1.5
185.13275	2.1
187.11240	3.4
187.14897	1.4
189.11227	5.9
189.12749	2.8
191.10608	2.3
197.13306	1.4
199.14778	1.9
201.12645	2.0
205.12286	5.1
207.13863	1.8
223.13342	5.7
233.15375	2.3
237.14896	2.3
248.74672	1.3
253.22255	1.2
257.04529	1.6
271.20596	2.3
281.19016	2.9
289.21497	6.1
299.20074	14.9
317.21100	95.4
318.21457	2.3
333.11182	1.3
335.22205	7.6
353.23132	2.2
373.23550	1.9
391.24780	26.9
409.25858	100.0
410.26212	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99791	9.6
70.06597	11.4
75.85322	3.5
83.04980	4.9
84.08147	6.3
85.02904	4.6
87.75430	3.5
87.93458	4.0
91.05470	4.6
95.04948	4.1
97.02859	4.1
101.76261	3.4
105.07066	4.5
114.05533	31.0
120.08089	6.9
121.02878	6.8
123.04437	63.7
137.02342	6.2
139.01950	4.0
139.03929	6.6
142.04970	8.4
146.05983	8.9
147.04416	12.0
149.04567	10.4
151.03894	8.5
160.42598	3.8
163.03902	10.5
166.07253	100.0
169.04951	13.0
175.03935	15.1
177.05481	7.6
188.07037	14.3
189.05521	10.2
193.04933	20.7
201.05534	9.4
203.03278	19.5
211.08034	3.9
215.03406	7.2
216.08826	5.0
217.04979	6.2
229.04950	19.5
234.96878	52.8
241.04851	5.6
244.08186	7.9
245.04427	27.7
248.94856	14.4
252.97951	57.6
255.06470	4.8
257.04456	40.8
258.05246	5.8
259.05942	7.1
271.06018	21.7
276.97815	7.5
283.05972	24.9
287.05511	98.4
296.50977	4.0
297.07465	7.2
299.05554	15.6
302.99414	10.4
326.89328	4.2
326.99548	6.2
330.98962	12.6
336.97940	7.0
345.00284	3.9
366.00455	4.0
373.00079	7.4
391.00912	6.1
391.07935	4.4
409.02292	22.5
409.09140	88.9
409.14844	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01865	2.2
55.05510	41.1
56.05020	5.4
56.05848	11.8
57.66291	1.8
58.99579	23.0
59.99931	4.2
60.99154	5.3
61.01141	2.9
68.99781	6.5
70.06571	5.1
71.27260	2.8
73.01151	3.2
76.02223	13.4
76.02972	1.6
76.03992	4.5
78.01809	10.5
79.05497	2.0
81.07056	12.3
82.07384	4.6
83.06099	4.8
83.08153	3.4
83.08614	42.9
84.04502	35.7
84.08949	18.9
85.04353	1.5
85.04820	9.5
86.09695	4.0
86.99059	14.7
87.00671	2.5
87.99380	3.3
88.00221	2.0
88.02201	3.8
88.98631	3.0
95.04940	2.7
96.08937	2.9
98.09674	6.0
99.05511	2.1
99.08099	3.1
99.10004	3.3
102.05549	2.8
105.06992	1.9
112.03942	2.1
113.04242	3.1
113.38934	1.5
115.03814	3.1
115.05869	1.7
116.01678	62.2
116.02509	3.1
117.02043	22.1
118.01273	12.0
119.01593	2.7
119.04940	2.0
120.08058	5.7
123.04425	71.8
129.06583	7.9
130.04948	9.1
130.06812	2.2
131.05293	3.4
132.06435	2.2
139.03888	6.5
142.03230	1.9
144.01135	27.4
145.01517	12.2
146.00716	3.8
147.04396	5.7
151.03894	9.0
153.06848	2.3
155.04846	1.8
156.08424	2.0
156.10217	4.1
157.06764	2.5
157.08557	1.8
157.10558	4.4
158.08009	5.7
159.04320	1.8
159.08388	22.3
160.08730	19.9
160.77502	1.6
161.05965	2.9
162.02200	100.0
163.02599	46.0
163.03911	5.8
164.01712	14.5
165.02037	3.5
173.05930	2.1
175.03923	21.8
176.09044	2.9
177.01886	2.1
177.05457	8.0
177.09315	3.6
179.04800	3.2
181.04419	4.2
181.06474	2.3
185.05965	2.5
187.03918	5.1
189.05446	7.5
191.03313	2.8
193.04956	21.0
197.05939	1.8
201.05415	5.7
203.03418	25.7
203.07011	2.2
206.09297	2.3
209.05943	3.3
211.11629	1.9
213.05531	3.9
215.03372	6.8
217.04930	7.3
225.05380	2.6
227.07016	2.4
229.04941	14.9
237.05432	4.9
241.04900	5.3
245.04445	30.3
253.09465	3.2
255.06511	3.1
257.04456	38.0
258.05154	6.3
259.05872	9.2
259.11011	4.3
260.11380	10.1
261.10663	16.4
262.11050	61.7
263.11423	50.8
265.04898	4.1
269.04477	2.3
271.06055	14.6
271.10733	8.1
279.13678	6.6
280.14053	15.5
283.06000	27.7
287.05499	94.5
297.07489	5.4
299.05502	12.8
313.11954	2.9
323.10052	4.8
325.07047	4.7
325.12820	1.9
333.14633	3.9
334.15204	23.0
335.12708	2.0
341.11179	7.8
373.13696	4.6
391.08011	4.1
391.14883	8.5
407.58762	2.4
409.09125	95.4
409.15991	37.9
409.21262	2.6
410.09366	4.4
414.91855	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94697	0.4
52.71335	0.4
54.22991	0.4
55.01867	0.7
58.38110	0.4
65.03938	0.5
68.99794	0.9
70.06574	1.5
70.17223	1.5
72.08150	0.9
72.40370	0.5
81.07023	0.5
84.04497	0.6
84.08147	0.7
86.09696	1.9
95.04964	2.1
95.08596	0.6
98.20845	0.6
98.97567	1.3
107.04930	0.7
111.64058	0.4
119.04950	0.7
120.08115	2.0
121.08418	0.5
123.03584	0.9
123.04432	10.7
129.41977	0.4
135.04443	1.4
136.07588	0.6
137.02367	0.7
138.09088	0.5
139.03891	0.6
145.06390	0.5
146.09665	0.4
147.04407	1.2
149.02301	0.8
151.03915	1.2
159.04370	0.5
163.03864	2.7
173.06035	0.8
175.03842	2.8
177.05528	0.5
187.03860	1.1
189.05441	1.0
192.10248	1.3
193.04951	2.2
201.05423	0.8
203.03375	3.5
211.61865	0.5
213.05478	0.9
215.03419	1.4
217.04927	1.0
220.09660	1.5
229.04947	1.8
241.04967	0.8
245.04472	4.5
245.06841	0.6
247.06020	3.5
247.13042	1.5
250.56532	0.5
257.04483	5.0
258.05222	1.1
259.06079	1.5
271.06018	2.5
283.05948	3.5
285.08875	0.8
287.05518	11.5
297.07544	0.6
299.05429	1.8
325.07013	1.4
331.09222	1.2
345.14563	1.0
349.10483	1.1
379.07922	0.5
381.09775	1.1
391.08127	1.4
409.09897	14.5
409.18304	100.0
410.09479	0.6
410.18741	1.8
427.16779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14313	0.3
55.05500	0.4
60.33804	0.3
70.06576	1.4
70.54659	0.3
70.54987	0.9
72.08125	0.7
84.08144	0.7
86.09708	1.8
95.08420	0.3
107.08601	0.3
110.07175	0.5
120.08121	0.6
123.04388	0.9
125.09600	0.7
133.69106	0.4
136.07603	0.6
163.03893	0.5
170.94754	0.3
229.11986	0.5
247.13106	1.3
249.91689	0.4
272.11737	0.4
285.09488	0.8
287.05508	0.5
292.07666	0.3
359.41443	0.4
409.18341	100.0
410.18799	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06551	0.4
71.20126	0.4
77.43878	0.2
83.44829	0.2
84.08118	0.3
86.09692	0.4
96.44117	0.3
107.01044	0.3
120.08121	0.3
125.93594	0.3
163.03958	0.4
185.32599	0.3
203.05255	0.6
206.97209	0.3
229.11885	0.5
233.97890	0.2
247.13046	2.6
409.18311	100.0
410.18655	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	409.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.5
55.05279	2.9
55.05514	40.6
56.05017	6.8
56.05840	11.2
57.03425	4.2
58.99589	25.2
59.99911	3.2
60.99161	6.7
68.99789	4.7
70.06576	3.2
70.93375	4.2
72.08164	4.7
73.01125	2.8
76.02228	12.1
76.03998	4.8
78.01798	11.3
79.05470	3.3
80.92462	2.1
81.07046	13.6
82.07368	6.3
83.06094	4.3
83.08158	2.9
83.08622	42.0
84.04505	50.9
84.08142	3.0
84.08960	21.9
85.04848	12.5
86.09689	3.8
86.99042	14.4
87.99399	3.5
88.00206	2.7
88.02200	2.5
88.98636	2.6
89.02233	2.6
95.04970	1.8
98.09660	6.6
99.05566	3.2
99.08069	3.3
100.08367	2.2
102.05542	3.2
102.10023	2.4
104.66875	1.7
105.00109	2.5
105.03396	3.7
110.07145	5.4
115.03808	3.7
116.01682	64.2
117.02080	17.3
118.01246	14.7
119.01604	3.0
120.08082	9.0
123.03590	3.9
123.04433	59.7
129.06584	4.9
130.04974	7.5
130.06903	2.6
133.06694	2.4
139.03885	8.8
142.03215	5.0
142.05029	2.0
144.01141	25.9
145.01489	12.3
146.00714	4.8
147.04408	3.0
151.03862	3.1
156.10178	5.3
157.10558	3.5
158.08003	7.1
159.08394	32.1
160.08751	17.5
162.02209	100.0
163.02565	41.5
163.03902	2.7
164.01700	9.6
165.02104	3.8
175.03926	12.9
176.08990	3.8
177.05495	8.3
177.09409	2.7
181.04546	3.7
181.06367	2.8
187.03938	3.4
189.05432	5.8
191.03314	3.0
193.04961	10.8
199.07407	2.4
201.05484	6.3
203.03410	23.5
203.05215	3.6
211.08656	3.2
213.05457	3.6
214.16586	2.2
215.03378	5.6
217.04959	5.5
225.10207	4.4
229.04898	12.0
237.05396	2.8
239.08171	5.3
241.04930	4.4
241.09712	4.7
243.11263	1.8
245.04430	24.0
247.06038	3.4
253.04886	2.9
253.09485	3.8
255.06602	2.3
257.04477	27.7
258.05157	6.9
259.06024	7.9
259.10995	6.1
260.11374	7.4
261.10693	18.8
262.11078	62.9
263.11417	51.2
265.05066	2.1
267.07562	2.1
267.11438	4.5
268.08282	5.4
271.06021	14.2
271.10706	16.1
277.12039	2.5
279.13757	5.4
280.14075	14.0
283.06082	21.1
284.06348	2.4
285.12149	2.1
287.05505	73.4
295.10788	2.5
297.07538	5.4
299.05493	12.9
313.11765	4.2
313.64462	2.5
323.10172	4.7
325.07086	6.3
333.15018	2.2
334.15277	22.8
341.11285	6.4
355.12946	2.4
359.12433	2.3
373.13824	8.6
391.07880	4.1
391.14725	11.1
409.09106	69.4
409.16028	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	408.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.0
56.60455	2.5
57.06800	5.2
57.07075	100.0
59.05005	29.4
59.87389	2.6
63.24662	2.4
67.05495	7.9
69.07079	3.8
70.09026	5.7
70.09402	6.8
71.08633	80.7
74.49307	2.4
79.05463	2.5
81.07035	7.5
85.10185	67.1
87.04469	14.7
89.06026	5.8
93.07051	4.1
95.08607	6.1
97.10145	3.3
99.11748	13.5
99.12265	2.7
99.26746	3.1
103.03939	13.0
105.07055	3.7
113.13282	4.9
116.82837	2.3
117.09148	10.0
121.10172	3.1
155.17943	5.8
170.98007	2.8
195.12340	3.9
213.22177	8.4
271.26401	4.1
287.83389	2.7
373.29477	2.8
408.37292	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	408.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.5
57.07076	100.0
59.05001	15.4
62.19072	1.5
68.22686	1.8
69.07059	6.2
69.13603	2.4
69.13947	18.9
71.08631	71.1
73.02915	32.1
79.05492	2.0
81.07056	4.9
83.08630	2.9
85.10184	62.8
89.06032	6.6
89.96971	1.7
91.05472	2.0
91.47305	1.5
93.07047	1.9
93.43465	1.6
95.08599	6.3
96.08906	2.2
97.10147	4.6
99.11732	13.7
99.69901	1.7
102.31293	1.5
103.07614	1.8
105.07014	3.2
107.08611	3.8
109.10156	3.8
113.13291	5.6
116.26169	1.8
119.08550	1.7
125.06032	4.4
133.08585	5.3
151.09697	2.7
155.17953	5.3
195.12230	2.5
213.22122	7.1
224.32294	1.6
236.11324	1.8
363.31104	4.9
390.34668	3.1
408.36810	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	409.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99878	2.9
61.82325	2.0
69.03419	2.6
69.94191	7.7
70.99883	3.6
72.79941	2.0
72.93790	2.1
77.00903	4.8
81.03416	7.4
81.46033	2.0
82.99845	4.6
84.08125	2.7
86.99348	2.7
89.00883	4.6
97.01373	2.9
98.20793	2.7
100.00072	3.8
101.00872	32.6
104.92113	2.5
109.02870	9.0
113.00881	9.0
115.02424	9.6
117.04007	4.3
119.01923	33.1
119.03720	4.9
121.01656	4.7
127.02418	26.8
129.02185	3.9
129.04018	3.7
131.01921	14.4
133.03503	10.5
135.01390	3.7
138.01677	2.9
139.02406	12.2
141.03947	3.8
142.01103	2.6
143.01935	10.8
145.01727	3.5
145.03470	76.9
147.01463	2.5
147.03226	14.5
147.05040	3.3
151.02390	2.5
153.03928	2.5
155.01881	4.9
156.02672	10.8
157.03462	44.0
159.05060	13.7
160.02217	3.0
161.02924	10.2
163.04567	10.1
165.04103	3.8
166.01094	4.4
167.01900	14.7
168.02699	5.1
169.03435	18.6
171.01401	7.1
171.03575	2.9
171.05035	17.7
173.02963	4.4
173.06714	2.6
175.04492	11.2
181.03450	3.0
183.05008	17.3
184.02148	8.3
185.02953	27.4
185.06602	4.7
186.03659	6.9
187.04567	20.4
187.06168	3.3
189.02539	3.5
189.06046	2.7
191.02200	2.7
194.48512	2.3
195.05067	4.3
197.04802	3.7
197.06566	3.3
199.04518	19.9
201.04362	2.6
201.06017	10.7
203.03954	11.1
209.02983	3.4
209.06589	3.2
211.04512	12.1
213.02470	4.4
213.06070	5.6
217.05569	15.7
221.05051	6.4
223.04318	2.5
225.06007	3.9
227.03986	6.5
229.05612	4.0
231.05338	2.3
233.02939	3.3
234.96931	3.2
235.06607	39.6
243.07237	3.1
246.34604	2.2
251.04079	2.2
253.05176	3.4
253.07700	47.9
257.08658	3.3
258.97876	2.3
259.06769	3.8
271.06281	3.1
271.08865	3.2
275.09763	6.0
277.07791	12.2
281.48175	1.9
285.02777	2.8
285.08246	6.2
293.10861	7.5
295.08771	13.2
295.11514	2.0
301.07611	6.1
303.09229	100.0
304.09384	4.1
305.07196	8.0
319.08801	17.9
321.10284	80.4
322.10327	2.1
323.08261	7.4
329.07056	18.4
335.08307	3.8
337.09799	15.2
344.11807	3.4
347.08182	48.7
347.12009	4.1
349.06143	4.6
353.09424	3.4
365.09235	29.4
373.06180	9.0
391.07022	21.6
409.08102	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	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	16.8
56.96555	5.2
65.97840	4.2
67.05495	9.6
69.03413	5.0
69.07065	12.3
69.17393	16.2
69.17818	20.7
70.06597	25.4
72.08158	9.4
79.05486	11.9
81.03384	3.5
81.07051	31.7
82.22355	3.5
83.04969	16.6
83.08633	7.8
84.04491	6.8
84.08134	9.7
85.02914	21.9
85.06536	13.4
86.09715	30.2
91.05479	12.2
93.07041	27.5
95.08614	27.2
97.02874	7.6
97.06535	22.9
98.97582	25.2
99.08096	9.9
105.07039	20.9
106.93144	3.6
107.08598	60.1
109.06505	8.9
109.10143	13.6
111.08063	10.4
116.98647	8.3
119.08582	42.6
120.08087	10.6
121.10154	12.2
123.04424	6.5
123.08078	3.6
123.11683	9.2
125.09641	44.8
127.03883	6.6
127.07571	3.6
129.10242	7.2
133.10146	30.0
135.11682	37.4
147.11684	4.4
149.13303	7.0
150.65643	3.9
151.11203	7.0
153.09117	7.2
158.99654	9.0
162.02209	5.6
163.03963	3.9
163.14833	58.3
169.12163	4.9
175.14830	54.8
177.00673	6.8
181.15897	13.2
185.06453	4.9
193.15903	35.4
199.18111	4.6
211.16936	100.0
214.08598	9.0
219.01720	5.2
223.09113	10.8
229.17860	6.3
245.04416	9.2
246.04836	8.9
257.04544	5.3
283.12030	9.9
287.05368	8.0
325.13068	6.6
327.16510	18.1
338.50919	4.2
348.67313	4.6
408.18436	4.4
408.23184	41.1
408.68964	5.5
409.09320	7.2
409.18512	5.3
410.31223	4.3
427.16376	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.83407	1.6
53.03943	2.2
55.05517	15.0
57.07067	7.0
57.98923	1.5
67.05502	22.6
67.22472	1.5
67.56397	1.5
69.07069	42.4
69.25581	12.0
69.25987	2.8
71.08635	3.1
79.05499	13.4
81.07059	66.4
81.07537	3.8
83.08621	14.4
85.10166	2.2
89.06030	3.5
91.05505	8.8
93.07050	27.3
95.04954	1.8
95.08615	59.4
96.25943	1.6
97.10158	5.7
105.07027	26.6
107.08598	36.1
108.94156	1.7
109.10159	47.9
111.11688	2.5
111.50041	1.7
117.07044	3.7
119.08597	32.6
121.10149	29.9
123.11707	18.5
129.07028	2.4
131.08585	14.3
133.08621	1.9
133.10126	18.5
135.11720	21.0
137.13242	8.8
143.08617	3.9
145.10101	19.8
147.11717	20.2
149.13264	17.5
151.14769	2.2
156.09297	1.7
157.10136	8.5
159.11702	23.8
161.13274	19.9
163.14828	10.4
165.11343	1.8
169.10077	2.5
171.11694	9.2
173.13281	18.2
175.14836	11.3
177.16399	9.8
183.11691	3.2
185.13287	8.7
187.14803	12.4
189.16393	10.1
191.18002	5.0
197.13249	2.8
199.14844	7.8
201.16429	10.4
203.17966	11.0
205.19304	1.5
211.14836	2.2
213.16458	9.4
215.17979	11.4
217.19559	5.9
223.05663	1.6
225.16351	1.9
227.17949	11.5
229.19560	9.4
231.21126	4.6
239.17876	1.6
241.19623	3.7
243.20966	3.9
253.19455	2.1
255.21048	4.7
257.22629	6.9
269.22632	7.4
271.24191	3.3
281.22733	3.0
281.89822	1.6
283.24176	4.7
295.24222	2.4
297.25842	4.5
309.25934	2.4
311.27490	3.8
323.27496	4.1
325.28830	3.6
337.28799	4.1
351.30499	5.3
365.32101	2.3
407.36746	100.0
408.37045	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	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33493	0.7
55.01862	2.9
55.05499	3.1
57.03431	2.5
61.02913	1.8
63.10489	0.8
67.05511	7.6
69.03416	3.0
69.06761	0.7
69.07069	6.5
69.53505	4.9
70.58218	0.8
71.04993	1.9
72.47446	0.8
73.02905	1.2
79.05480	3.6
81.03438	1.4
81.07061	32.7
82.07372	0.9
83.04981	2.7
83.08609	3.1
85.02912	11.2
85.06529	2.1
91.05480	7.3
91.64925	0.7
93.07044	5.5
95.08605	6.5
97.02902	3.6
97.06524	2.3
98.20766	1.2
98.21420	1.9
99.04484	1.2
99.08089	1.5
101.06020	1.1
105.07027	15.8
107.08614	6.0
109.02922	0.9
109.06486	2.4
113.05962	0.8
119.08583	13.0
121.10143	14.4
123.08048	2.0
123.11706	18.6
127.03907	2.1
127.07549	3.4
131.08528	0.9
133.10110	1.7
137.13272	2.0
145.04956	4.0
147.11696	55.8
148.11958	0.8
165.12759	44.2
166.13177	0.9
175.11218	1.7
180.08670	4.5
183.13814	17.9
185.39134	0.8
193.12218	5.9
211.13315	13.0
229.14366	100.0
230.14609	2.2
282.22092	0.8
396.38983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05518	8.3
57.07064	4.6
67.05499	18.8
69.07065	17.2
69.85512	5.8
79.05490	8.7
81.06594	2.3
81.07056	36.5
83.08615	8.4
91.05482	7.5
91.33888	1.3
93.07043	16.6
95.08605	56.6
97.10159	5.3
105.07042	13.9
107.08589	24.9
107.64943	1.3
109.10149	33.0
111.11703	2.3
117.07013	1.7
119.08588	24.0
121.10142	20.8
123.11701	14.2
129.07030	1.6
131.08568	7.3
133.10120	17.4
135.11705	15.5
137.13252	14.6
143.08556	4.5
145.10114	14.9
147.11664	14.2
149.13246	14.1
157.10144	9.6
158.11049	1.4
159.11691	15.6
161.13266	11.6
163.14815	10.0
169.10123	2.3
171.11734	6.7
173.13298	10.6
175.14833	8.1
177.16402	5.2
183.11627	3.2
185.13237	6.4
186.14040	1.8
187.14798	8.1
189.16364	8.6
190.04968	1.3
191.17944	9.7
197.13258	3.8
198.31096	1.3
199.14838	7.3
201.16376	12.7
203.17958	15.5
205.19504	4.6
208.51065	1.5
211.14734	1.6
211.19720	1.2
213.16362	5.7
215.17987	10.5
217.19493	6.9
225.16406	2.9
227.17950	5.5
229.19504	9.1
232.05423	1.4
239.18031	2.5
241.19408	4.6
243.21158	5.2
255.21130	9.7
257.22632	24.7
257.25150	2.2
269.22653	14.4
271.24030	2.4
281.22510	2.3
283.24268	4.9
295.24286	1.8
297.25726	4.6
323.27237	3.8
325.29083	1.5
337.28821	2.1
342.94730	1.6
351.30518	3.0
364.31494	1.9
407.36719	100.0
408.37012	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	407.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05507	22.4
57.07079	13.8
67.05509	29.0
68.39460	2.4
69.07069	42.8
71.08622	6.5
75.51303	2.3
78.47995	2.4
79.05495	17.0
81.06593	4.6
81.07058	69.0
83.08615	24.0
85.10162	3.3
89.06013	4.2
91.05470	13.5
93.07043	36.5
95.08604	75.0
97.10168	8.6
98.20645	4.3
99.04441	11.5
105.07026	31.7
107.08598	44.6
109.10160	64.0
111.11712	5.6
117.07002	3.3
119.08597	33.2
121.10134	33.6
123.11710	36.8
125.05978	16.5
126.38271	2.4
128.43855	2.6
129.06984	2.7
131.08595	12.6
133.08649	2.8
133.10133	28.6
135.11690	19.5
137.13284	13.1
142.07845	2.9
143.08578	9.3
145.10120	24.5
147.11691	20.2
149.13269	18.9
151.14876	3.3
157.10152	11.2
159.11708	22.3
161.13277	22.2
162.92294	2.4
163.14839	9.6
169.10072	4.1
171.11694	12.1
173.13229	15.2
175.14771	12.2
177.16455	5.1
181.67113	2.9
183.11610	3.7
185.13300	11.3
186.14066	4.4
187.14825	16.0
189.16452	12.2
191.17993	7.8
197.13283	4.0
198.14130	3.7
199.14790	14.3
201.16405	10.3
203.17929	12.9
211.14850	4.5
213.16437	11.8
214.17189	3.0
215.17909	15.3
217.19533	8.8
227.18039	8.0
229.19574	14.0
231.21230	3.7
241.19485	14.2
243.21112	7.3
253.19611	4.2
255.21104	10.5
257.22690	7.2
269.06448	2.5
269.22681	5.1
271.24176	2.8
281.22717	4.2
283.24310	4.3
297.25928	6.2
299.41513	2.6
309.25757	3.6
333.97729	3.0
337.28900	2.9
342.45850	2.6
348.78976	2.6
351.30453	5.1
375.57669	2.6
389.34161	11.8
407.36765	100.0
408.37210	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	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.9
57.07076	9.5
65.03919	3.4
65.40655	0.8
67.05508	29.0
69.07067	10.8
69.21008	7.4
71.04977	3.5
71.08633	6.6
79.05478	3.8
80.24567	0.8
81.03386	1.1
81.07057	17.7
83.08617	6.3
85.10162	3.8
89.05984	1.3
91.05481	5.2
93.07043	11.2
95.04967	11.4
95.08607	23.1
97.06506	1.2
97.10174	5.2
98.21548	1.9
99.04461	8.1
99.11728	1.1
99.70692	1.1
105.07047	7.2
107.07980	1.1
107.08601	13.2
107.84689	1.0
109.06548	0.8
109.09505	0.9
109.10167	12.5
111.11691	3.4
112.99993	2.7
113.05970	2.9
117.07046	1.3
119.08596	10.3
121.10143	10.0
123.03617	0.8
123.04446	13.2
123.08053	1.9
123.11710	8.3
125.05997	6.0
125.13251	1.4
130.99911	0.8
131.08540	3.8
133.10120	7.7
135.08051	1.0
135.11699	8.4
137.13242	4.7
139.07513	3.5
141.05464	100.0
142.05829	0.8
143.08537	1.2
145.10100	4.1
147.11699	6.7
149.13261	5.9
151.11189	1.2
157.10049	2.0
159.11714	5.1
161.13240	4.3
163.14771	2.9
165.09091	1.1
169.02570	1.3
171.11635	1.6
173.13220	2.9
175.14766	3.1
177.16371	3.6
185.13263	0.8
187.14787	2.3
189.16357	3.8
191.17935	1.3
193.12186	1.1
199.14822	1.6
201.16328	2.8
203.17979	5.7
204.16670	0.9
205.19661	1.0
213.16432	1.1
215.17943	3.0
217.19437	2.3
229.19472	1.7
231.21210	1.3
240.73589	0.8
255.21059	1.3
257.22620	2.5
269.22604	3.1
283.24164	1.8
323.27203	1.1
329.31842	1.2
347.32880	2.0
365.34161	1.5
371.32867	1.7
386.36563	0.8
389.34204	8.2
407.35547	45.4
408.35733	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05511	11.7
57.07059	6.1
61.78559	1.5
67.05507	17.9
69.07069	28.1
71.08640	2.3
71.50027	1.7
78.17899	1.3
79.05480	9.7
81.06598	2.3
81.07055	38.2
83.08622	7.8
89.06017	3.6
90.39658	1.3
91.05469	9.4
93.07039	24.5
95.08611	51.6
97.10178	5.8
99.04427	3.1
105.07035	20.2
107.08597	28.7
109.10155	39.2
109.89226	1.4
111.11693	3.7
113.00011	5.1
117.06995	3.7
119.08569	22.8
121.10146	31.2
123.11708	16.8
125.06028	2.4
129.07007	2.8
131.08557	11.5
133.10147	15.7
135.11702	17.4
137.13239	11.4
143.08551	5.4
143.64984	1.8
145.10098	15.6
147.11688	18.7
149.13251	15.9
151.14798	3.1
157.10095	7.8
159.11685	14.7
161.13251	18.3
163.14828	10.9
165.16411	1.5
169.02626	3.9
171.11699	6.1
173.13263	12.0
175.14807	11.5
177.16432	8.2
183.11731	1.9
185.13318	7.0
187.14818	14.7
189.16383	14.6
191.17853	7.1
199.14841	6.1
201.16365	14.7
203.17958	14.5
205.19513	3.9
213.16357	7.0
215.17873	8.8
217.19504	7.6
219.21236	1.5
225.16403	1.5
227.17979	4.8
229.19550	7.4
231.21039	3.6
239.17888	1.6
241.19514	7.0
243.21057	4.4
245.22711	2.3
253.19633	2.6
255.21083	6.6
257.22641	6.4
269.22534	7.1
271.24243	1.8
281.22388	1.8
283.24020	7.1
297.25836	4.2
309.25922	2.8
311.27399	3.6
323.27344	2.8
330.48172	1.6
337.29016	3.4
351.30435	3.8
389.34171	2.4
407.36734	100.0
408.36890	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	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.05270	5.0
55.05512	53.1
57.07081	68.0
67.05515	37.1
67.34953	3.1
67.36891	3.3
67.86016	3.4
69.07072	97.5
71.08640	53.8
71.41924	5.3
79.05493	28.5
81.07062	89.6
83.01335	5.6
83.08626	57.1
85.10194	23.3
89.06036	8.5
91.05476	13.9
93.07036	39.0
95.08610	91.7
97.06547	8.8
97.10180	40.1
99.04474	10.2
105.07032	27.5
107.04967	7.0
107.08604	42.9
109.06534	23.2
109.09485	4.2
109.10169	51.9
111.04447	26.4
111.08121	5.7
111.11728	17.7
113.00018	12.7
117.07038	5.2
119.08583	30.3
121.06486	8.7
121.10155	38.5
123.04444	5.4
123.08067	15.9
123.11694	26.0
125.06004	66.1
125.09617	5.0
125.13237	3.7
131.08595	6.0
133.10165	22.1
135.08072	8.3
135.11700	25.8
137.05986	100.0
137.09602	16.0
137.13240	14.6
139.07532	13.0
141.05452	14.2
143.08531	6.3
145.10130	12.3
147.07986	5.3
147.11688	18.4
149.13281	18.3
151.07547	21.0
151.11206	9.7
151.14833	6.1
153.09114	12.2
157.10109	12.1
159.11670	15.4
161.09599	8.5
161.13229	16.2
163.11180	12.2
163.14839	8.4
165.09109	28.8
165.12709	10.9
167.10672	11.0
168.69176	3.5
169.02603	9.9
171.11662	5.1
173.13228	12.4
175.11107	8.6
175.14799	8.4
177.16382	6.6
179.10690	32.0
179.14250	6.9
181.12224	12.8
183.10188	7.4
185.13177	4.3
187.14789	8.4
189.16429	11.8
191.14371	4.5
191.17903	5.8
193.12251	35.6
195.13786	10.1
197.11763	13.5
201.16336	4.5
203.17958	10.1
207.13831	27.3
209.15372	8.6
211.13281	6.7
213.16209	4.5
215.18076	4.7
221.15419	20.6
221.19073	4.5
223.16890	7.5
225.14825	9.2
229.19579	4.9
231.20964	3.6
235.16975	20.3
237.18544	6.5
239.16493	7.4
249.18533	26.3
251.20032	4.8
253.18059	10.7
263.20132	27.5
267.19519	10.4
277.21594	17.1
281.21060	9.8
289.28546	4.1
291.23273	12.0
295.22681	10.1
305.24686	10.0
309.23938	4.7
317.28403	6.1
319.26297	9.9
323.25748	3.8
333.27875	17.1
337.27664	3.5
347.33011	4.6
351.29041	6.8
361.34656	4.8
371.32822	7.0
389.34140	57.0
407.36380	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05512	21.8
57.07082	29.8
63.19120	1.4
65.03926	2.4
67.05188	1.5
67.05511	24.8
69.03086	1.7
69.03432	21.6
69.07071	34.9
71.08635	21.1
71.42221	1.3
71.42528	1.8
79.05495	18.5
79.18604	1.3
81.07061	59.5
83.08620	16.6
85.10189	8.7
89.06013	5.0
91.05491	9.9
93.07047	23.3
95.04952	6.2
95.08613	51.3
97.06552	3.6
97.10188	11.2
99.11628	1.3
105.07025	16.8
107.08605	26.0
109.06507	6.1
109.10156	35.3
111.08101	1.5
111.11709	5.8
113.05999	1.4
117.07021	2.7
119.08588	22.7
121.06500	3.1
121.10154	19.4
123.04440	30.8
123.08057	6.9
123.11705	14.6
125.05999	13.3
131.08559	5.5
133.08598	2.0
133.10143	17.2
135.08060	2.9
135.11691	15.0
137.05949	9.0
137.09596	6.1
137.13251	7.3
139.07530	6.2
141.05492	7.9
143.08537	5.6
145.10149	6.3
147.08052	1.7
147.11716	15.7
149.09587	1.9
149.13303	10.3
150.57256	1.2
151.07520	5.2
151.11201	7.1
151.14799	2.2
153.09103	2.2
153.98792	1.2
155.06989	1.8
157.10147	4.6
159.11688	8.0
161.09622	3.4
161.13261	9.9
163.11209	2.1
163.14812	6.1
165.09116	5.8
165.12735	5.7
167.10674	4.3
171.08066	1.5
171.11708	4.1
173.13232	7.0
175.11243	1.7
175.14854	6.8
177.16371	3.8
179.10709	6.5
179.14201	2.0
181.12206	4.3
184.73946	1.4
185.13304	4.7
187.14867	7.6
189.12624	1.6
189.16425	7.4
191.17924	2.9
193.12215	6.1
195.13744	2.4
197.11739	1.5
199.14815	4.0
201.16400	4.7
203.17940	4.9
207.13773	3.2
209.13185	2.3
213.16388	2.6
215.17969	4.3
217.19460	2.6
227.17947	3.4
229.19513	3.9
235.20528	1.8
237.18507	1.6
241.19594	2.1
243.21045	2.3
249.18301	1.7
251.20131	2.9
255.21030	3.3
263.20129	2.8
269.22620	3.7
277.21515	2.9
283.24210	2.2
295.24179	1.5
297.25806	2.4
307.26422	2.1
333.27661	1.7
343.33575	3.3
348.15933	1.3
361.34802	6.8
371.33011	4.0
389.34195	47.7
390.34341	3.0
407.35452	100.0
408.35895	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	407.3521
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
54.30194	1.5
55.05516	13.1
57.06841	1.9
57.07083	21.0
67.05508	21.0
69.03432	16.0
69.07071	24.6
69.25211	10.2
69.25634	3.8
71.04990	1.6
71.08631	14.7
79.05094	2.1
79.05495	12.4
81.07060	39.4
83.08625	16.1
85.10188	11.4
89.06023	5.0
91.05500	7.9
93.07050	16.0
95.04974	4.3
95.08609	40.4
97.06527	3.4
97.10143	13.0
98.20638	2.0
105.07028	13.1
107.08598	19.8
109.06535	6.1
109.10162	26.4
111.04410	2.1
111.11702	2.4
119.08579	14.4
121.06522	1.9
121.10139	13.6
123.04440	25.0
123.08057	6.0
123.11698	11.8
125.05984	11.0
125.09595	1.7
131.08595	2.5
133.08557	3.1
133.10135	14.4
135.07968	2.0
135.11736	11.4
137.05989	8.9
137.09619	5.3
137.13263	6.1
139.07523	3.5
141.05467	6.7
141.20090	1.7
143.06989	2.2
145.10107	7.9
147.11697	13.7
149.09561	2.2
149.13327	8.5
151.07521	6.1
151.11154	6.7
157.10132	4.5
159.11729	8.8
161.09584	2.1
161.13301	7.2
163.11165	2.2
163.14827	3.5
165.01408	1.8
165.09120	5.6
165.12737	4.1
167.10693	3.8
171.11797	3.4
173.13327	4.2
175.11168	2.3
175.14806	8.3
177.16364	1.8
179.10701	7.4
181.12242	4.5
183.11710	2.7
185.13219	3.0
187.14832	2.0
189.16455	3.3
193.12238	4.5
199.14726	3.0
201.16405	5.2
203.17989	4.8
207.13814	3.2
211.14958	1.9
213.16423	3.6
215.17986	3.5
217.19553	1.9
223.17000	2.0
227.18143	2.2
229.19516	2.8
235.16991	2.1
237.18436	1.7
241.19586	1.9
249.18518	3.1
251.20029	2.7
263.20135	2.4
269.22678	3.1
327.59869	1.9
343.33502	3.5
361.34628	6.4
371.33154	4.0
389.34091	53.9
390.34814	1.6
407.35324	100.0
408.35864	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	407.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27850	0.6
51.73974	0.6
55.05502	1.2
56.05031	1.7
57.32953	0.6
60.40559	0.6
67.05490	0.6
68.38499	0.6
69.03415	0.6
69.07065	2.1
69.07436	0.7
69.34059	5.0
70.06595	13.6
71.06915	0.6
72.08130	3.4
76.02211	0.7
77.03835	0.5
79.05463	0.6
81.07077	0.7
83.06104	8.1
84.04499	12.1
84.08141	3.2
85.02890	1.0
86.09705	100.0
87.10038	0.8
89.54389	0.6
93.07044	0.8
97.02897	0.6
97.59885	0.6
98.06079	0.7
98.20817	1.3
101.07133	3.6
110.07197	0.9
119.04955	0.7
120.08112	18.7
120.08958	1.2
123.04433	0.9
124.03926	1.3
129.06551	1.3
129.10258	1.0
131.11798	23.3
134.05977	1.6
136.07591	2.8
137.05969	0.6
144.08070	1.2
145.02827	1.6
146.06056	1.8
147.04395	0.7
152.10706	1.1
165.05446	1.4
166.08644	7.2
183.15157	0.8
186.09061	0.9
197.12788	0.8
208.09650	4.6
214.15533	2.7
217.13387	0.9
219.11406	0.9
225.12312	9.5
228.13818	1.1
231.11343	2.0
242.15001	22.6
245.04512	2.3
259.10983	0.9
260.11496	1.7
261.63861	0.6
276.13412	7.0
277.11786	4.1
294.14560	2.0
297.08862	1.2
314.18750	1.2
339.10031	0.7
357.10938	0.8
377.74200	0.7
384.19385	1.4
389.13583	2.5
390.19922	1.3
407.07803	1.3
407.17676	0.9
407.22476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2579
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
53.03947	2.3
55.01881	1.5
55.05519	5.6
57.03444	1.3
57.07065	3.5
59.05003	2.8
65.03928	1.3
67.05511	16.6
69.03439	2.0
69.07070	4.0
71.49456	1.1
78.31010	0.9
79.05491	12.6
81.03425	2.7
81.07055	14.9
83.04994	2.8
83.08620	2.2
84.08115	1.2
85.06529	4.1
91.05485	21.8
93.07049	16.6
95.04969	19.8
95.08601	12.3
97.06531	3.0
97.10107	1.0
105.07029	26.5
105.07702	2.0
107.04971	2.6
107.08598	11.0
109.06530	6.3
109.10146	5.7
115.05506	3.2
117.07011	5.5
119.04882	1.3
119.08583	16.2
121.06527	5.6
121.10137	6.3
123.08070	6.7
123.11669	1.6
125.06063	1.3
128.06238	4.1
129.07037	5.3
130.07764	2.5
131.08582	11.9
133.06487	4.5
133.10141	15.5
135.08018	5.9
135.11731	2.2
137.05952	1.5
137.09607	2.6
139.07544	1.7
141.07011	2.5
142.07787	5.6
143.08563	14.0
144.09352	4.0
145.06459	2.2
145.10130	16.8
147.08058	7.2
147.11717	5.1
149.09642	5.8
151.07558	8.0
153.06931	1.5
154.07848	1.1
155.08598	6.0
156.09326	5.4
157.10120	15.1
158.07339	1.8
158.10847	1.0
159.08070	3.9
159.10397	1.6
159.11699	10.0
161.09630	7.2
161.13297	1.2
163.11208	1.6
165.06978	1.7
165.09137	6.2
166.07845	1.7
167.08575	2.4
168.09377	1.8
169.10136	7.2
170.10852	2.5
171.11694	9.4
173.09639	4.7
173.11841	1.3
173.13277	2.2
175.11237	3.8
175.14864	1.2
177.09113	3.1
179.08580	2.5
181.10130	3.8
182.10945	2.1
183.11725	4.7
185.09644	2.6
185.13274	1.7
187.11240	3.2
189.09187	2.2
189.12732	3.4
193.10245	2.5
193.12204	2.2
194.10945	1.7
195.11726	3.5
197.09697	2.1
197.13290	4.6
199.11147	7.3
199.14841	2.0
201.12836	2.1
203.14352	3.5
205.10188	1.5
206.10913	2.0
207.11778	3.7
207.13826	3.6
209.13303	4.1
211.11278	2.9
211.14845	1.8
213.12849	1.7
215.10759	1.8
217.09978	1.2
220.12341	1.3
221.13338	2.4
221.15425	5.4
223.14819	1.3
225.12730	1.4
225.16342	2.2
227.14397	3.0
227.17847	1.3
229.12267	2.7
231.11710	1.3
237.12791	1.4
247.14787	1.2
249.12697	1.1
261.16394	1.6
267.13690	1.2
274.13702	1.2
285.18530	1.3
286.19321	3.2
287.20160	3.3
315.19614	5.4
351.19696	1.2
389.24182	2.3
407.25800	100.0
408.26071	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	407.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	4.0
70.06582	1.7
71.27497	2.5
74.00665	1.6
76.02283	1.8
78.78013	1.3
82.99837	2.1
84.04503	2.8
84.08145	7.1
85.01411	3.7
96.29851	1.3
98.97644	1.3
99.02967	9.0
101.00884	12.4
103.02448	3.0
109.01395	2.4
109.06506	1.9
115.02413	1.5
116.07100	1.6
117.03999	32.5
117.04756	2.4
119.01926	23.8
124.03891	1.8
127.02418	28.4
129.00307	1.4
130.08636	8.9
131.01872	1.2
135.05070	10.8
137.02972	4.7
142.01114	1.5
143.01933	6.5
145.03471	100.0
146.03590	1.9
149.53654	1.5
157.03517	6.2
157.07112	8.7
159.05034	8.2
159.06267	2.7
160.02141	1.6
161.02997	3.8
163.04526	16.5
167.05498	2.1
169.03491	5.9
171.01381	9.2
171.05078	5.2
174.04117	1.3
174.92418	1.3
175.04541	2.1
175.08162	6.3
178.79272	1.3
183.05043	5.4
185.02966	3.6
185.06593	20.4
187.04451	9.0
189.02486	13.6
189.06056	2.1
195.05038	22.5
197.02957	2.4
201.06090	7.9
203.07721	2.6
205.05609	1.6
207.03511	4.3
211.04521	9.7
213.02386	3.3
213.06093	32.4
215.00601	1.4
215.04028	7.2
221.02943	3.0
227.04008	3.3
229.05579	7.8
231.04796	4.2
231.06956	2.5
237.02486	3.5
239.04021	19.8
241.01955	3.5
247.06647	1.7
250.03908	1.6
251.02556	2.7
255.03514	3.6
257.05017	14.4
259.02997	3.0
265.01889	1.7
273.04562	3.7
275.02594	1.8
275.06180	2.1
283.03012	8.0
285.00925	1.8
291.06433	1.9
301.04163	13.0
301.07428	2.5
303.02121	3.0
321.11459	5.1
321.15076	1.3
325.94153	1.3
327.02051	3.3
345.03143	3.7
361.07462	2.0
363.12625	21.7
371.00980	8.5
371.05133	2.0
389.01993	10.1
407.07706	32.4
407.11740	38.1
408.18896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71880	1.3
53.82822	1.1
55.05512	17.0
56.05043	1.5
56.05872	1.3
58.19160	1.1
58.99555	1.7
63.50030	1.3
67.05497	1.8
69.03425	2.6
69.07053	1.5
70.06596	11.1
71.50032	1.7
72.08156	2.7
76.02215	2.6
79.05485	1.7
81.07051	5.1
83.04984	7.9
83.08620	17.2
84.04488	4.7
84.08142	4.0
86.06093	1.6
86.09699	4.3
89.06011	1.5
90.76717	1.3
91.05469	1.7
93.07021	2.2
95.08607	2.1
97.06519	2.1
97.10162	3.7
98.09694	1.6
106.40295	1.5
107.08601	5.1
109.02892	1.5
109.06516	1.7
109.10157	10.6
111.08080	3.9
116.01713	2.9
120.08077	2.3
123.04461	1.9
123.11697	3.3
125.09622	3.0
129.10274	1.9
133.10156	2.6
144.06546	1.6
147.04526	1.5
149.13251	1.8
151.11185	23.8
162.02162	2.8
165.44839	1.3
167.14322	24.1
204.84215	1.4
209.15369	100.0
259.11121	9.3
392.36627	1.5
433.10449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96134	1.7
53.03930	2.0
53.97102	1.7
55.01857	1.8
55.05505	5.2
55.71893	1.9
57.03438	3.4
58.77351	2.0
59.04996	3.0
61.02917	3.4
67.05493	7.2
69.03413	6.1
69.07062	9.2
70.06597	15.7
71.04978	3.1
71.49756	3.0
71.98806	1.7
72.08125	3.7
75.49431	1.9
76.02217	4.4
79.05492	28.3
81.03397	2.9
81.07055	44.0
81.35203	2.0
83.08643	2.2
84.04494	8.2
84.08131	8.0
85.02891	10.9
85.06528	2.6
86.00665	1.8
86.09691	6.5
87.02718	2.0
91.05483	5.0
93.07037	17.7
95.04971	4.1
95.08620	15.8
97.02872	3.0
97.06515	6.2
98.09686	3.9
103.05412	2.3
105.07045	8.4
107.04995	2.6
107.08589	100.0
109.06511	4.5
109.10139	7.5
113.04182	2.0
115.07545	3.5
116.01659	4.6
119.08543	5.3
120.08061	3.0
121.10150	27.2
123.08023	3.9
125.09636	3.4
127.03912	4.6
130.05026	3.1
133.10126	8.0
135.08044	3.8
135.11673	8.5
137.05898	1.8
144.01140	2.7
145.10127	2.9
149.09590	4.5
149.13263	4.1
156.08432	2.3
156.10245	2.3
161.13237	8.8
162.02257	2.8
163.14806	17.2
168.50452	2.1
173.13249	5.1
175.14786	3.9
179.14302	74.1
191.14319	34.3
193.15912	7.5
209.15366	34.1
259.11093	18.0
319.19238	2.6
335.18414	2.8
353.19479	4.2
370.20169	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	406.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.7
57.03424	7.1
57.07077	99.1
58.07406	2.0
59.05003	43.4
64.55283	1.6
67.05499	7.1
69.07056	8.8
70.08228	6.6
70.08607	4.0
71.08632	100.0
75.04504	3.1
79.05497	6.3
81.07048	11.2
82.12667	1.6
83.08624	7.3
83.94550	1.7
85.10184	99.8
91.05449	2.1
93.07050	6.2
95.08615	14.8
95.81606	2.0
97.06500	6.8
97.10151	2.9
98.21567	2.6
99.11740	13.6
101.06019	2.6
105.07024	5.8
107.08591	8.4
109.10168	9.1
115.07565	28.6
117.09133	19.3
119.08572	7.2
121.10146	7.8
123.11700	5.9
124.02349	1.9
124.66735	1.8
131.08521	2.7
133.10127	5.2
135.11690	4.4
137.13235	4.6
141.16371	5.0
145.10130	3.8
147.11664	5.1
149.13242	5.7
159.11700	5.2
161.13264	2.9
163.14804	2.9
187.14859	4.5
189.16351	3.1
191.12791	4.3
191.17894	1.9
199.20544	10.8
201.16443	2.0
203.17960	2.9
224.05893	1.7
227.17960	2.8
231.20959	1.7
257.24792	14.1
406.20956	4.1
406.35538	8.3
407.36694	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	8.0
57.03432	6.1
58.99577	10.1
67.05490	4.2
69.07062	5.6
70.06598	64.9
71.49145	6.8
72.08138	8.3
76.02224	27.2
79.05483	10.1
81.07070	32.8
84.04507	37.1
84.08135	13.0
85.02912	8.9
85.06528	8.1
86.00640	5.4
86.09699	18.3
86.99079	6.7
87.02695	7.5
87.69118	4.7
91.05494	8.1
93.07044	9.2
95.04980	5.0
95.08568	9.2
97.06535	25.8
98.09672	12.8
99.08110	5.3
102.05541	6.2
105.07032	16.3
107.08594	13.6
113.04246	5.3
116.01669	23.8
119.08548	10.1
120.08115	16.1
121.10120	14.6
123.34190	4.1
129.10263	5.6
130.05037	10.0
131.08572	32.6
133.10104	19.4
144.01178	7.7
144.06589	5.8
147.11661	4.2
149.13333	4.9
151.11211	28.0
156.08411	21.2
156.10249	9.5
157.06860	7.4
161.13278	15.4
162.02171	20.3
162.07716	9.0
163.14845	13.9
167.07022	6.2
173.13277	52.2
174.09483	15.3
179.04849	8.9
179.14272	7.6
184.07617	4.3
191.14328	56.2
209.15355	26.3
216.06944	7.0
217.13551	7.5
223.68968	4.0
227.16429	15.0
245.04439	12.6
259.11026	100.0
331.13452	5.6
377.14157	6.0
390.67978	4.3
407.07672	13.1
415.30249	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	405.3726
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03947	2.0
55.01866	2.4
55.05513	4.4
57.03428	0.8
57.07079	10.5
63.43214	0.7
67.05505	13.9
68.99789	0.9
69.03436	0.8
69.07066	2.9
69.85829	3.2
71.08639	8.8
78.16881	0.6
79.05493	1.9
81.07054	4.2
83.08615	2.5
85.10188	3.9
91.05473	7.9
93.07044	45.5
95.04955	1.5
95.08607	25.5
97.06527	1.0
97.10170	1.5
105.04520	1.1
105.07034	2.8
107.08585	6.8
109.06544	1.0
109.10182	3.0
111.08086	24.5
114.12824	1.4
115.68444	0.7
119.08579	2.1
121.06499	3.1
121.10143	3.2
123.11743	1.4
125.09645	1.3
127.07605	2.9
131.08548	1.1
133.10161	0.7
135.08057	0.9
135.11719	1.7
137.09627	1.0
139.07544	22.3
145.10152	1.3
147.11739	0.9
149.09665	1.0
149.13286	1.0
153.09109	13.3
153.92433	0.6
156.59444	0.7
157.04944	0.9
157.08659	2.1
157.10081	0.9
159.11751	1.5
163.11143	0.8
167.10674	8.5
173.13229	0.6
179.14261	0.7
181.12241	6.5
187.14862	1.5
195.12262	0.8
195.13809	4.3
209.15318	3.5
223.16991	2.1
237.18524	1.1
251.20154	1.2
261.24594	0.6
279.23209	1.5
279.53055	0.6
307.26514	0.8
321.28043	1.4
349.30972	0.6
358.40347	0.6
387.36227	1.0
405.37323	100.0
406.37793	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37868	1.0
55.01866	2.3
55.05510	2.2
56.05038	5.8
57.03438	5.1
58.99587	12.7
68.05035	1.5
69.07054	1.4
70.02943	1.0
71.19209	1.4
73.01135	2.0
74.00658	2.2
76.02235	21.2
76.03996	1.8
79.05487	3.2
81.07065	18.5
83.06104	1.7
84.04504	25.9
84.08141	0.8
85.01152	3.8
86.00651	4.3
86.99052	5.4
87.02692	5.4
88.02204	2.1
94.06560	1.1
95.08600	3.2
96.08144	1.6
96.72076	0.7
97.01112	2.0
97.06533	1.4
98.09694	11.3
99.05592	1.1
99.08094	5.1
102.05545	4.2
105.07030	2.0
110.09677	2.4
112.03968	2.7
113.04260	4.8
114.03738	1.3
115.05823	0.9
116.01688	21.5
122.09663	1.9
123.08064	1.0
127.05760	1.5
129.06609	2.3
129.07431	1.3
130.05008	6.9
130.06857	3.1
130.08614	1.8
139.05811	1.7
142.03217	1.6
142.05052	0.8
143.02734	1.8
144.01141	8.0
145.06012	1.3
149.98354	0.8
156.08435	18.6
156.10207	10.9
157.06830	9.7
159.18814	0.8
162.02214	22.4
170.66585	0.8
171.91405	0.7
174.09485	12.5
179.04860	10.7
204.80954	0.8
210.11266	2.9
215.04968	0.9
216.06902	6.4
233.06000	2.4
238.70860	0.7
242.08420	0.9
245.06068	1.4
259.11133	100.0
260.09225	1.1
260.11673	1.7
277.12384	0.8
285.12570	1.6
313.12045	5.6
331.13217	5.1
353.29242	0.8
388.15396	1.5
406.16489	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	405.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
57.03433	3.5
57.07079	100.0
59.05005	47.8
61.72071	0.5
62.70912	0.5
67.05485	1.3
69.07078	3.1
69.51614	4.3
71.08635	67.3
75.86569	0.6
79.05488	0.8
81.07043	2.3
82.51328	0.6
83.08611	2.4
85.10188	51.0
93.07044	1.4
94.59483	0.6
95.08598	2.0
97.10146	1.8
98.20721	0.6
99.11736	7.5
101.09647	0.9
105.07049	0.7
106.84293	0.7
107.08601	1.8
109.10143	1.4
113.13280	3.2
117.09138	12.8
119.08546	0.8
121.10133	1.7
131.08623	0.7
135.11682	0.7
135.88437	0.6
136.49713	0.7
137.13260	0.8
147.11713	0.9
155.17950	2.6
175.13249	0.6
185.13190	1.2
187.14783	1.0
199.14861	0.9
199.38998	0.6
201.16440	0.7
213.22096	2.3
224.17906	0.8
271.26227	2.0
405.35211	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3727
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
50.30327	1.0
55.05515	9.5
57.03442	1.0
57.07080	12.6
67.05508	4.4
69.07069	11.9
70.26435	2.3
71.08630	8.0
79.05515	1.8
81.07051	3.5
83.01340	9.5
83.05012	0.9
83.08620	8.7
85.06582	0.8
85.10184	3.6
88.70836	0.8
91.05469	3.1
93.07047	12.0
95.08610	8.0
97.06535	4.1
97.10197	3.9
98.21442	0.8
105.07034	1.6
107.08589	6.1
109.06526	1.9
109.10157	2.5
111.08070	8.1
111.11756	1.2
119.08614	1.1
121.06535	1.7
121.10143	4.4
123.08095	3.7
123.11706	2.1
125.06030	4.7
125.09644	5.5
127.07534	3.5
133.10146	1.4
135.08049	1.3
135.11678	1.8
137.09685	1.1
139.06532	1.6
139.07555	25.0
139.11179	3.4
149.13321	1.0
151.11211	4.7
153.09117	7.6
153.12782	2.2
159.11726	1.5
165.12750	1.3
167.10675	7.5
167.14371	1.2
177.12717	1.5
181.12236	11.1
181.15810	0.8
187.23102	0.8
191.14323	1.5
195.13780	6.5
200.65619	0.8
209.15399	6.5
210.10254	0.7
223.16872	4.8
235.27222	0.8
237.18506	1.7
251.20186	2.5
265.21719	3.4
279.23218	2.7
293.24490	1.8
335.29456	1.3
349.31198	2.1
387.36264	1.5
405.37292	100.0
406.37433	3.8
407.11200	0.8
415.05490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05506	9.3
57.03426	3.6
62.06085	8.3
67.05496	8.1
69.03426	7.1
69.07059	2.9
70.06596	7.2
71.05006	4.6
71.49634	2.6
71.50047	2.9
79.05499	7.4
81.03417	4.9
81.07047	8.4
84.04467	2.9
84.08125	4.8
85.02903	9.8
85.06555	5.7
86.09711	12.0
91.05491	16.5
93.07051	100.0
95.04955	4.1
95.08615	9.3
97.02892	5.1
100.11286	5.4
105.07040	13.3
107.04997	2.9
107.08585	13.4
109.10162	8.2
109.65421	2.7
111.04459	12.3
111.08057	3.9
119.08596	14.0
120.08092	4.4
121.10165	37.1
123.08060	6.3
124.04893	3.1
125.05998	7.3
127.03876	2.8
131.08534	4.1
133.10146	44.2
135.11668	5.5
137.06032	3.2
138.09166	3.3
147.11673	3.7
151.11191	89.1
152.11560	4.0
161.13269	28.0
163.11165	4.8
163.14830	4.1
167.07063	2.9
171.11716	2.7
179.14285	23.3
181.12236	23.8
189.12813	7.1
207.13794	11.5
210.14934	5.0
224.16356	3.7
225.14883	33.0
242.17523	18.1
404.12982	2.6
420.37509	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37886	3.0
56.05033	3.7
69.74084	21.1
70.06596	100.0
72.08146	6.8
74.06099	3.4
74.38023	3.4
81.07034	4.0
84.08128	7.7
85.02905	7.6
86.09703	13.1
90.13010	3.2
91.05464	3.1
97.02922	3.0
98.20800	3.6
107.04936	5.3
108.04628	3.0
109.07586	3.8
110.97686	3.5
112.57185	3.2
115.91267	3.1
119.04910	4.3
119.08582	7.4
120.08069	5.7
123.04438	42.7
129.10281	5.4
135.04376	4.8
136.07553	4.1
137.07097	11.0
138.07449	5.5
145.10216	3.8
147.04427	11.7
147.11673	8.0
147.93712	3.3
151.46358	3.6
154.08595	3.4
155.08237	3.7
164.72183	3.6
165.05453	4.1
177.05484	56.0
189.12732	38.1
207.13814	10.7
221.08034	11.3
225.08752	3.6
231.02296	3.2
234.11206	6.7
242.17517	7.0
329.10028	10.9
356.56528	3.8
386.15970	39.6
404.16916	7.9
405.17163	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.5
67.05524	6.2
70.06573	14.3
70.78885	13.2
81.07031	11.3
83.04970	10.0
84.08122	7.2
85.02895	23.6
86.09695	21.6
91.05495	8.9
95.08585	7.4
97.06530	5.9
97.10621	4.7
105.06995	5.1
107.08542	12.0
109.06522	18.5
110.07133	7.8
111.23819	5.4
119.08562	9.1
120.06979	4.5
120.08080	12.0
121.10119	18.0
123.08035	7.6
123.11664	14.4
137.09622	31.7
147.11685	13.2
149.09618	9.5
158.65460	5.2
165.12749	100.0
179.14400	7.5
189.12712	11.4
207.13776	41.8
284.06284	6.7
308.39401	6.0
404.10181	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.45031	1.1
55.05523	2.1
57.03410	1.7
59.49324	1.2
60.54546	1.1
67.05506	2.5
68.99771	1.9
69.03402	3.3
69.07076	1.4
69.22530	8.9
69.22961	3.0
70.06593	100.0
72.08144	2.6
79.05474	4.6
81.03397	4.1
81.07047	3.2
83.05009	1.5
84.08119	3.5
85.02897	10.2
86.09692	3.8
87.04436	1.4
91.05499	6.4
93.07041	5.8
95.04931	1.4
95.08570	3.8
96.04499	2.6
96.08130	3.1
97.02888	1.8
97.06523	1.8
99.04412	1.5
105.07033	9.2
107.08593	6.7
109.02892	1.7
109.06504	3.1
109.10146	1.3
110.06057	7.2
110.09669	3.4
111.04352	1.4
111.08074	1.7
114.09118	2.2
119.04897	3.1
119.08583	11.8
121.06502	3.5
121.10146	7.6
123.04427	32.0
123.08097	1.9
123.11685	4.6
125.06001	1.9
126.09179	7.4
127.03901	3.6
129.10222	1.9
131.08592	6.1
133.10034	1.7
135.04407	2.7
135.08052	12.8
135.11679	2.2
138.09142	22.7
139.15504	1.1
143.08551	4.4
145.10106	3.8
147.04399	8.9
147.08051	10.0
147.11688	8.2
149.05986	3.5
149.09637	7.8
151.03885	5.0
151.07520	1.4
154.30565	1.1
156.10231	96.1
157.10506	1.4
161.06009	1.6
161.13246	5.4
163.03946	1.3
165.05472	3.9
171.11691	19.7
174.10406	1.5
175.03943	2.0
175.07510	1.9
177.05469	51.2
179.07027	2.8
180.10181	2.1
189.05429	1.5
189.12767	16.2
193.08685	1.5
198.11246	4.0
207.06531	5.8
207.13800	55.2
221.08109	20.2
234.11223	8.8
264.12369	1.5
270.17844	1.3
297.20758	1.2
329.10220	8.0
357.94156	1.2
386.15958	56.3
387.16116	1.8
404.16324	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23088	8.7
51.73920	11.7
55.72468	9.4
62.08752	8.1
70.01926	32.9
70.06593	100.0
78.65621	9.5
84.04503	17.3
84.08134	27.9
86.09695	42.5
95.04974	12.6
95.08627	11.4
105.07021	11.5
119.05032	10.4
119.08573	12.2
120.08083	10.1
123.04401	36.6
143.10396	9.4
145.10109	25.7
147.11711	20.5
149.09578	8.9
165.53697	10.1
177.05464	34.0
189.12752	89.0
226.01169	10.5
266.13483	12.2
386.16003	22.7
404.11407	11.6
405.66019	10.9
425.56119	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37886	3.0
56.05033	3.7
69.74084	21.1
70.06596	100.0
72.08146	6.8
74.06099	3.4
74.38023	3.4
81.07034	4.0
84.08128	7.7
85.02905	7.6
86.09703	13.1
90.13010	3.2
91.05464	3.1
97.02922	3.0
98.20800	3.6
107.04936	5.3
108.04628	3.0
109.07586	3.8
110.97686	3.5
112.57185	3.2
115.91267	3.1
119.04910	4.3
119.08582	7.4
120.08069	5.7
123.04438	42.7
129.10281	5.4
135.04376	4.8
136.07553	4.1
137.07097	11.0
138.07449	5.5
145.10216	3.8
147.04427	11.7
147.11673	8.0
147.93712	3.3
151.46358	3.6
154.08595	3.4
155.08237	3.7
164.72183	3.6
165.05453	4.1
177.05484	56.0
189.12732	38.1
207.13814	10.7
221.08034	11.3
225.08752	3.6
231.02296	3.2
234.11206	6.7
242.17517	7.0
329.10028	10.9
356.56528	3.8
386.15970	39.6
404.16916	7.9
405.17163	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01869	0.9
55.05507	0.8
57.03421	1.5
67.05505	1.8
68.99787	0.9
69.03426	3.9
69.07062	1.2
70.06595	55.1
70.62370	1.6
71.04987	0.7
73.02917	0.7
79.05486	1.1
81.03411	2.6
81.07034	1.6
82.06594	0.7
83.04977	1.0
84.04493	1.0
84.08132	1.0
85.02905	6.6
86.09701	1.8
87.00810	2.2
91.05463	3.7
93.07049	2.7
95.04963	0.8
95.08595	2.5
96.04497	3.3
96.08121	2.5
97.02879	1.4
97.05276	1.9
97.06531	2.4
100.07595	1.4
105.01872	0.8
105.07024	2.6
107.04943	0.7
107.08597	2.9
109.02892	1.9
109.06524	0.7
110.06049	6.6
110.09672	3.0
111.08119	0.8
114.09167	1.2
119.04944	2.1
119.08541	3.7
120.08073	1.1
121.06539	1.4
121.10128	1.6
123.04428	21.7
123.08062	1.5
123.11717	1.3
125.06005	0.8
126.09142	8.6
127.03911	3.1
131.08591	1.7
133.10118	1.4
135.04448	0.8
135.08064	4.1
138.09138	19.7
139.03859	0.7
143.08592	2.0
143.69000	0.7
145.10086	1.2
147.04398	6.8
147.08084	2.9
147.11682	1.9
149.05988	3.0
149.09639	1.6
151.03906	1.9
152.07115	0.8
156.10214	100.0
157.10576	1.8
165.05492	3.0
168.28525	0.7
171.11699	6.7
175.03952	2.3
175.07603	1.5
177.05470	28.1
178.05818	0.9
179.07048	2.2
180.10109	1.3
189.12764	4.7
192.04156	0.9
198.11299	3.0
207.06531	5.8
207.13806	15.5
221.08090	10.0
222.11366	0.9
225.07558	1.0
234.11240	4.1
246.11275	0.7
264.12231	1.3
318.15576	1.0
329.10211	5.9
386.16013	26.3
387.16360	1.3
404.16003	6.8
405.16797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.96184	1.4
57.03415	1.9
58.99335	1.4
58.99585	18.1
62.81574	1.2
67.05479	2.1
69.03431	1.7
69.07052	6.2
70.06572	6.0
70.70488	3.0
70.70821	1.6
74.06049	2.1
76.02229	89.0
76.03981	2.2
79.05489	10.0
80.04997	1.5
84.04503	33.1
84.08141	7.3
85.02866	1.4
86.06039	3.7
86.09689	5.5
86.99045	4.0
88.02181	2.3
91.05461	1.5
97.02895	1.8
97.06528	100.0
110.06026	1.5
114.03761	1.8
116.01677	24.9
124.03913	1.5
127.03901	1.4
130.04993	17.5
134.09641	1.5
136.03938	5.7
138.05533	2.3
140.06973	1.5
142.03194	11.0
144.01138	11.3
154.04959	4.9
162.02200	39.2
163.03946	2.3
170.02718	4.3
179.04852	61.4
179.19791	1.4
187.05334	2.9
215.04753	2.5
216.03287	1.6
228.08664	3.2
233.05893	19.2
242.10010	1.8
245.05756	3.7
291.06442	2.8
308.09131	18.0
404.15295	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	404.1705
Annotation	(+)-3-O-(3-Hydroxybutyryl)tazettinol
Peak:m/z	Relative Intensity
53.03959	1.1
55.01873	1.0
68.99782	1.1
69.03424	1.0
70.06598	100.0
70.93864	1.7
79.05510	1.1
81.03441	1.5
81.07070	0.9
84.08154	0.7
85.02891	1.0
86.09702	1.8
91.05484	1.0
92.25453	0.7
93.07059	1.7
95.04973	1.2
96.04529	0.9
110.06084	1.7
111.44835	0.9
114.09187	1.6
119.04958	2.6
120.08133	0.9
121.06522	1.8
123.04436	36.1
124.04786	0.9
125.06021	1.9
126.09184	2.2
131.04837	0.8
135.04451	2.1
138.09157	4.1
139.03935	1.0
147.04407	9.6
147.08080	1.0
149.05994	3.7
151.03951	4.0
151.07613	1.2
156.10208	21.2
161.06042	1.5
163.03978	1.0
165.05495	6.2
175.03978	1.6
175.07640	2.8
177.05484	54.9
178.05853	1.4
179.06992	3.6
189.05487	1.7
193.08614	1.1
203.07086	0.9
207.06564	4.2
221.08102	19.0
221.10117	1.2
234.11238	7.6
251.09242	0.7
252.08791	0.8
252.12424	1.8
257.09586	1.0
311.09091	0.9
329.10226	11.2
373.13089	1.2
386.16010	50.1
387.16473	1.5
404.17078	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	404.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
60.04523	0.4
63.76212	0.4
68.25643	0.4
68.75870	0.4
70.06575	1.2
71.01325	0.6
71.47871	0.6
72.08140	0.6
73.02898	1.2
77.51255	0.3
84.08118	1.2
85.02890	2.1
92.05010	3.8
95.01308	0.9
103.03913	0.5
108.04462	1.3
113.02351	1.2
121.06503	1.0
130.08644	0.7
131.03297	0.4
136.03928	17.8
141.01811	1.3
144.05025	0.4
154.04984	100.0
155.05305	0.9
165.77975	0.4
169.89915	0.5
210.07614	6.3
228.08658	47.1
229.09052	0.5
386.10834	1.3
404.11731	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
58.99578	1.7
59.24070	0.6
66.26488	0.7
69.07039	1.3
71.01362	1.8
71.11729	1.4
73.02905	2.9
76.02229	9.8
79.01847	0.7
79.05490	2.0
80.05005	1.4
82.06573	0.9
83.35186	0.7
84.04501	5.6
85.02895	5.3
86.09712	1.2
86.99058	0.7
95.01329	5.7
97.02908	0.8
97.06530	16.5
101.02380	1.1
103.03948	0.8
108.04498	4.3
110.06030	2.6
113.02339	1.9
116.01665	3.3
126.05509	2.8
127.54454	0.6
130.04996	3.1
130.86682	0.7
131.03369	1.4
136.03941	100.0
141.01828	7.1
141.43092	0.8
142.03276	1.4
144.01187	1.1
144.52515	0.8
147.04434	3.8
154.04997	72.8
159.02887	1.5
162.02187	4.2
179.04872	8.3
210.07576	5.4
228.08659	54.7
233.05974	2.2
245.05920	0.8
308.09198	2.8
312.07172	0.7
351.53760	0.7
404.15201	1.5
414.86359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3936
Annotation	Ergostanol
Peak:m/z	Relative Intensity
53.03952	1.2
55.05515	15.0
57.06795	1.9
57.07076	36.4
65.55584	1.0
67.05503	8.8
69.06733	1.9
69.07069	24.2
71.05933	2.5
71.06281	1.2
71.08631	28.1
73.06535	1.4
79.05473	1.9
81.07047	12.1
83.04977	1.2
83.08624	17.1
85.10186	13.4
89.06033	60.0
91.05491	2.5
91.70905	0.9
93.07043	6.0
95.08603	18.0
97.10168	11.0
98.21124	1.6
105.07036	3.1
106.51508	1.5
107.07081	3.6
107.08607	10.8
109.06514	2.1
109.10153	16.7
110.53496	1.1
111.11724	4.6
119.08576	6.6
121.10136	16.9
123.08089	4.1
123.11707	11.1
125.09630	7.5
125.13274	1.7
127.14822	1.3
129.01859	4.0
129.89690	1.2
133.08627	8.5
133.10107	7.5
135.08182	1.0
135.11688	15.5
137.05984	1.3
137.09619	63.0
137.13283	4.6
138.78352	1.3
139.00346	1.1
147.11717	3.6
149.13269	14.7
150.38161	1.0
151.09669	16.9
151.11163	5.3
151.14815	1.2
157.01450	1.3
161.13280	3.6
163.14815	3.7
164.72357	1.1
165.12743	5.5
166.32143	1.1
175.14929	3.5
177.16396	2.3
179.14291	7.8
181.12328	1.1
183.79927	1.1
185.08109	1.5
189.16425	3.0
193.15938	8.9
197.47765	1.4
205.19629	1.1
207.17400	6.4
221.19090	3.5
224.05624	1.1
235.20491	1.2
249.22145	2.9
263.23788	3.5
272.61560	1.1
272.64813	1.2
277.25394	3.1
291.26831	3.3
304.91507	1.0
319.29974	1.5
347.33102	2.3
347.63129	1.1
357.45200	1.2
385.38330	10.3
403.39401	100.0
404.39697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	32.7
57.07073	7.0
59.49998	3.8
67.05499	28.9
69.03433	5.5
69.07073	46.4
69.56689	3.7
71.04987	19.4
71.50299	4.1
71.50681	4.0
79.05502	24.8
81.07054	63.6
83.04972	5.1
83.08624	24.4
85.06548	100.0
91.05486	26.0
93.07047	52.0
95.04924	5.1
95.08610	76.7
97.06532	13.8
97.10153	11.8
105.07032	36.1
107.08596	66.5
109.10161	53.2
111.08073	14.4
115.65304	3.2
117.07031	6.2
119.08566	31.9
121.10143	41.0
123.11729	23.1
125.09675	5.7
130.60928	3.7
131.08546	11.8
133.10127	26.1
135.11687	36.1
137.13249	13.2
144.09354	4.6
145.10118	12.2
147.11674	29.2
149.13300	34.0
151.11150	6.0
157.10143	4.5
159.11684	13.3
161.13309	20.1
163.14783	17.5
165.12752	5.3
167.14311	6.3
171.11681	5.2
173.13310	5.3
175.14842	15.6
177.16284	4.5
179.14220	5.9
181.15871	10.2
187.14854	6.7
189.16388	7.3
191.18016	9.4
193.15891	10.5
203.17934	9.0
215.17989	7.4
221.19077	4.6
225.65849	4.1
289.25186	5.0
385.34631	21.8
403.24939	5.5
403.36078	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	403.3572
Annotation	Cholesterol-5beta,6beta-epoxide
Peak:m/z	Relative Intensity
54.30242	3.8
55.01860	5.9
55.05523	20.2
57.07076	11.5
58.69150	4.1
61.75861	3.9
67.05506	32.5
69.07066	40.4
71.04984	9.9
71.05988	5.5
71.06298	4.7
79.05492	8.9
81.07058	45.3
83.08609	12.1
85.06532	13.5
90.30308	4.0
91.05478	8.5
93.07038	24.4
95.08608	100.0
97.10156	8.7
97.42613	4.4
105.07027	11.1
107.08604	37.0
109.09481	6.1
109.10165	76.3
109.10860	7.7
111.08092	33.9
111.11729	11.9
113.20375	4.2
119.08588	13.4
121.10142	27.0
123.08063	6.9
123.11687	26.8
129.01831	10.6
129.09091	5.9
131.08604	5.1
133.10132	12.9
135.11708	25.1
137.06029	5.9
137.09546	5.8
137.13277	8.5
139.07530	8.9
147.11711	8.4
149.13263	23.4
149.88419	3.8
151.07542	5.4
154.44568	4.0
157.01402	4.5
161.13229	5.1
163.14832	22.5
175.14857	4.2
177.16403	11.9
183.06537	4.5
185.07994	4.4
185.15469	5.9
191.18002	8.0
193.15829	6.1
205.19525	36.7
214.94362	4.6
215.17827	5.2
219.21104	5.2
385.34531	28.8
403.35889	74.3
407.23770	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	403.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55070	1.8
55.01868	5.2
55.05516	15.4
57.07065	4.6
67.05507	23.2
69.07064	19.8
69.63093	6.2
69.63501	6.7
71.04996	10.7
71.08618	2.7
79.05494	8.8
81.07059	33.6
83.08608	6.9
85.06527	7.6
91.05455	5.8
93.07044	20.2
95.08611	100.0
97.06531	3.9
97.10162	6.3
101.06055	2.9
105.07034	7.7
107.08594	24.6
109.10160	73.4
111.08086	26.1
111.11734	10.3
118.55217	2.2
119.08584	9.2
121.10147	29.3
123.11719	22.9
129.09149	2.9
133.10114	9.4
135.11703	22.1
137.13257	7.1
145.10153	2.5
147.11668	5.3
149.13254	23.0
153.12759	3.0
159.03925	2.0
159.11760	3.0
161.13243	4.1
163.14828	21.8
167.14259	2.2
175.14827	5.0
177.16362	8.3
179.14221	4.4
181.15862	5.8
185.15451	3.3
189.16347	2.4
191.17958	12.0
193.15855	5.1
201.16360	2.5
203.17979	3.2
205.19527	47.1
219.21085	7.4
221.19037	3.4
231.21022	2.3
275.23624	3.8
293.24692	2.6
385.34656	22.1
403.35703	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	403.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17553	2.1
54.43689	2.1
55.01863	8.7
55.05513	34.0
57.07080	15.1
57.81154	2.4
67.05508	36.6
68.18692	2.2
69.07075	40.0
69.79077	13.2
71.04998	14.1
71.08627	5.7
79.05502	21.3
81.07061	71.6
83.04966	3.7
83.08637	19.3
85.06542	12.9
85.74607	2.4
91.05493	15.4
93.06483	4.2
93.07050	57.4
94.06451	2.1
95.08611	100.0
97.06513	6.8
97.10172	11.6
101.06003	3.1
105.07047	22.5
107.08611	65.8
109.10163	75.6
111.07377	4.5
111.08089	56.2
111.11699	4.0
119.08563	24.0
121.10147	47.6
122.24977	2.3
123.08042	2.8
123.11709	35.3
129.01874	2.7
129.09135	3.8
131.08601	2.6
133.10139	14.9
134.43646	2.3
135.08006	2.1
135.11705	36.1
137.09601	18.7
137.13268	9.9
139.07545	4.1
139.11177	3.0
145.10117	7.1
147.11707	11.3
149.09630	17.6
149.13272	51.1
151.14891	2.9
153.12769	4.0
155.10645	3.7
159.11697	7.7
161.13232	13.0
163.11127	3.1
163.14812	25.5
165.12775	4.6
167.14345	4.2
173.13313	6.6
175.14832	7.9
177.16377	10.9
179.14351	4.0
179.17926	2.4
185.15498	3.9
187.14850	3.0
189.16403	4.6
191.14348	3.8
191.17990	12.3
193.15765	2.8
199.14943	3.2
201.16470	3.5
203.17970	6.0
205.15968	5.6
205.19481	20.3
207.17502	2.9
217.19508	7.2
219.21088	4.7
247.20573	2.7
261.22189	4.5
269.15198	2.6
275.23892	2.6
287.27133	3.9
303.26822	6.8
385.34671	33.9
403.35806	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	403.357
Annotation	4beta-Hydroxycholesterol
Peak:m/z	Relative Intensity
53.03934	3.4
55.01862	3.2
55.05508	17.0
57.03434	5.6
57.07079	10.2
58.69777	1.7
67.05187	2.0
67.05511	26.5
69.07069	38.6
71.04996	7.6
71.08631	3.5
79.05500	13.3
81.07056	43.8
83.08626	16.4
85.06546	47.3
85.10188	1.8
85.91669	1.4
86.61420	1.3
91.05487	17.7
93.07047	72.5
95.04982	3.3
95.08608	79.1
97.06544	5.9
97.10150	9.2
98.20759	4.6
99.08073	2.2
105.07050	12.2
106.66234	1.8
107.08599	41.6
109.06513	1.8
109.10160	38.6
111.08087	26.9
111.11716	5.5
113.09660	4.4
115.31071	1.4
118.76583	1.4
119.08582	13.3
120.89861	1.4
121.06511	5.8
121.10142	28.0
123.08078	1.7
123.11700	17.0
125.09628	3.9
127.07519	2.0
127.11166	3.7
129.01826	3.2
131.08624	1.8
133.10117	10.6
135.11700	20.7
137.09595	2.5
137.13275	9.0
139.07541	23.4
145.10117	3.5
147.11670	12.7
149.09627	2.1
149.13268	33.1
151.00229	1.4
151.11195	1.7
151.14841	3.9
153.09111	12.1
153.12796	2.7
157.08672	2.3
159.11708	4.1
161.13289	13.3
163.11154	1.8
163.14833	26.1
165.09119	1.5
165.12752	2.7
165.16365	1.6
167.10703	8.5
167.14308	4.4
175.14806	10.7
177.16357	9.5
179.10715	1.8
181.12274	6.2
181.15897	4.2
185.13521	1.6
187.14836	2.4
189.16365	7.4
191.17937	12.8
193.15916	2.1
195.13821	7.4
201.16396	1.6
203.17928	9.1
205.19551	4.1
207.13818	5.0
207.17424	2.4
209.15359	2.2
217.19505	7.7
219.21085	3.4
221.18871	2.6
231.21011	2.1
235.02762	1.5
235.20503	2.3
237.18510	2.1
245.22495	1.4
251.20059	3.3
265.21591	3.4
277.21585	2.3
289.25351	1.9
347.29514	2.9
385.34671	24.0
403.35721	100.0
404.36111	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	403.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.2
57.03423	10.8
57.07069	7.4
57.84699	3.5
58.27472	3.1
59.20350	3.3
59.98302	3.2
64.98830	2.8
65.03934	3.7
67.05500	23.1
69.07066	31.6
70.07639	2.9
70.08036	3.0
71.04979	7.8
78.48612	3.3
79.05486	18.8
81.07054	65.6
83.08611	10.3
85.06543	65.0
91.05470	13.2
93.07044	52.2
95.04986	4.3
95.08608	100.0
97.06542	11.1
97.10152	6.4
99.08083	4.3
105.07037	22.0
107.08587	72.5
109.10151	58.6
111.08042	8.0
113.09663	6.4
119.08572	20.8
121.10135	51.8
123.08006	4.4
123.11716	31.6
127.11153	5.9
129.01839	10.3
133.10129	25.2
135.11682	39.2
137.13252	11.9
139.00240	4.0
145.10117	6.6
147.11684	21.6
149.13255	57.3
150.99959	3.2
151.14819	5.7
157.01231	4.5
159.11671	7.4
161.13277	21.7
163.14821	40.8
167.14310	4.7
175.14819	17.2
177.16388	13.6
181.15794	5.0
185.08067	10.1
189.16406	9.4
191.17998	20.6
201.16487	3.8
203.17935	14.8
205.19455	6.2
207.17323	3.6
217.19510	15.1
221.19064	3.7
235.20644	5.3
271.00937	3.9
375.61609	3.6
385.31015	3.5
385.34744	40.1
388.10764	3.4
403.35706	19.3
403.40082	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	403.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.7
57.07061	2.5
64.88055	1.4
65.60267	1.3
67.05501	16.4
69.03426	2.4
69.07070	16.2
70.86147	3.9
71.04990	18.4
74.05249	1.3
79.05505	10.4
81.07059	33.4
83.08614	6.5
85.06545	100.0
91.05473	6.5
93.07043	40.9
95.08610	69.4
95.63258	1.3
97.06536	11.7
97.10178	4.5
102.40601	1.5
105.07026	12.5
107.08595	47.1
107.09316	3.0
108.73566	1.3
109.10159	31.1
111.08093	4.3
111.11714	1.9
119.08582	14.6
119.41500	1.3
121.10146	53.5
123.11700	14.2
129.01794	2.5
131.08519	1.5
133.10152	8.6
135.11702	25.3
137.13254	4.9
145.10135	2.6
147.11678	7.9
149.12173	2.8
149.13260	22.8
153.12666	1.9
157.53641	1.4
159.11652	2.9
161.13255	8.2
163.14819	16.5
167.14330	2.9
175.14838	4.3
177.16367	7.5
179.14316	3.2
181.15852	5.7
185.08057	2.0
187.14864	1.5
189.16394	4.6
191.17941	42.0
193.15884	6.3
196.96783	1.4
201.16414	1.6
203.17938	7.2
205.19583	3.6
217.19539	4.4
230.96277	1.5
262.00378	1.8
262.32669	1.3
341.35757	1.7
360.99902	1.6
385.34744	10.7
403.35803	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1027
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01861	0.9
57.03424	1.1
65.03944	1.0
67.05497	0.8
68.78007	0.9
69.03428	3.2
69.07050	1.1
69.31725	1.8
69.32122	7.3
70.06606	7.6
79.01860	2.9
81.03420	1.3
81.07043	1.4
84.08149	2.6
85.02923	2.0
86.09699	3.0
91.05472	1.9
93.03411	1.4
93.07047	1.1
94.76127	0.8
95.04942	1.2
97.02877	1.1
105.07026	0.9
107.04959	10.3
109.02813	1.0
109.06549	1.3
109.10143	1.1
111.04456	1.7
115.05540	1.0
119.04943	3.2
120.05720	0.9
120.08124	1.6
121.02868	22.9
123.04435	11.3
126.03991	0.9
129.10291	0.9
130.06407	0.8
135.04349	1.2
138.03169	1.3
145.02856	2.4
147.04408	3.2
151.03966	1.3
153.05470	1.1
161.05975	1.1
163.03918	3.6
163.07533	1.0
164.61006	0.9
165.01855	1.0
165.05505	2.0
175.04050	1.2
177.05479	2.0
179.03387	1.4
181.05016	1.1
187.03909	1.8
191.03426	1.5
201.05525	1.3
203.03438	1.6
205.04938	4.4
211.07558	1.3
213.05431	5.0
219.06554	1.2
227.07092	1.5
228.07735	1.6
229.04930	1.4
231.02907	2.8
233.08118	7.2
243.06548	2.3
247.06001	2.8
249.04044	2.3
255.06548	9.4
256.07245	11.0
262.27026	0.9
265.05090	0.9
268.07397	1.2
271.05969	2.3
279.06567	2.3
283.06030	57.7
284.06784	44.9
285.07474	3.7
295.06030	20.7
297.07568	33.1
298.04721	1.2
298.07956	0.9
305.08157	2.8
307.06076	1.8
308.06879	1.4
309.07779	5.4
311.05524	2.9
311.09171	9.3
313.07065	86.5
314.07410	2.0
321.07483	8.1
323.05435	2.3
324.06293	1.2
325.07086	9.8
337.07071	20.8
339.08646	8.5
343.08084	14.5
349.07062	5.8
355.08438	1.2
367.08130	83.5
368.08417	3.0
385.09167	56.8
386.09540	2.2
403.10248	100.0
404.10614	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	403.1026
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
53.91280	1.0
55.01873	2.7
55.05503	1.8
57.03437	1.4
59.65925	1.1
67.05510	1.7
68.99773	1.8
69.03398	1.4
69.07064	2.3
69.37496	9.4
70.06593	11.2
79.01852	1.8
79.05486	2.3
81.03412	2.9
81.07062	1.2
84.04507	1.3
84.08137	4.5
84.65758	1.2
85.02892	3.3
86.09697	7.5
87.08100	3.9
91.05488	2.9
93.07043	1.9
95.04947	2.0
95.08578	1.7
97.02867	2.0
107.04946	1.4
107.08579	1.4
109.02872	1.1
111.04387	1.1
111.35760	1.2
119.04929	4.6
120.08097	2.0
121.02866	18.1
123.04410	7.9
127.03910	1.6
129.10216	2.5
131.04984	1.9
133.10110	1.2
135.04413	1.8
137.02350	1.7
137.05946	1.2
144.82751	1.2
145.02844	4.8
147.04407	4.1
147.11697	1.2
151.03891	1.6
153.05453	1.3
163.03877	4.8
163.07602	1.3
165.01859	8.0
165.05489	1.8
167.03424	2.2
167.07019	1.5
167.10605	1.4
175.03928	2.0
179.03354	1.2
181.04926	1.2
183.02814	2.6
187.03877	2.1
191.03372	2.6
192.58813	1.2
203.03404	3.8
205.04987	2.4
205.08704	1.9
213.05472	2.6
221.04555	1.2
225.08939	1.2
228.07771	1.7
231.02888	2.8
233.08133	1.9
249.03886	2.4
255.06544	4.4
256.07306	4.8
263.02576	1.2
267.06516	4.0
270.05212	2.2
271.05933	4.4
279.06537	2.8
281.08145	7.6
283.06009	78.4
284.06732	31.5
285.07516	2.1
293.08057	1.9
295.06009	19.2
297.04361	1.1
297.07532	24.7
305.08060	3.0
307.06052	4.0
308.06879	2.5
309.04086	1.4
309.07529	23.7
311.05804	2.1
311.09137	7.7
313.07056	72.8
314.07309	2.2
321.07574	27.6
323.05527	1.4
325.06979	11.6
337.07043	54.7
339.08609	6.1
343.08157	9.2
349.07065	22.2
349.10736	0.8
353.64453	1.1
367.08133	100.0
368.08408	3.6
385.09152	32.3
386.09641	2.1
403.10233	68.0
404.10632	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	403.1027
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
55.01862	2.8
65.03915	1.2
68.19769	0.8
68.99801	1.4
70.06592	10.3
79.05478	2.0
81.03405	1.4
84.08133	2.8
85.02893	1.7
86.09710	1.8
87.08092	0.9
88.55563	0.8
91.05466	1.1
92.99718	1.1
95.04964	1.5
99.04419	1.0
107.04960	1.8
118.06841	1.4
119.04939	4.7
120.08097	1.4
121.02861	17.2
123.04436	7.6
129.10229	1.2
131.04886	2.2
135.04382	1.2
137.02312	1.7
137.06003	1.1
141.01811	2.0
145.02817	5.3
145.06583	1.0
147.04401	3.2
149.02319	3.1
151.03914	0.9
163.03886	6.7
165.01837	19.7
165.05492	2.1
167.03381	2.3
167.07022	1.1
175.03906	1.9
177.01791	3.2
179.03401	2.5
183.02861	3.5
187.03926	2.0
191.03394	1.3
195.02959	1.7
203.03447	5.7
207.02856	2.2
229.04900	2.1
231.02919	2.0
233.08011	3.0
239.07059	1.2
242.05621	1.1
249.04025	1.3
255.06526	3.3
256.07318	1.5
267.06522	7.9
270.05197	3.0
271.05875	5.4
273.03754	1.7
279.06491	3.6
281.08017	8.9
283.05994	92.1
284.06747	11.0
293.08041	5.7
295.06033	15.9
297.04202	1.8
297.07526	15.6
305.07965	1.7
307.06000	4.8
309.04236	0.9
309.07516	20.9
311.09003	3.6
313.07050	54.2
314.07397	1.7
321.07581	41.3
322.07843	2.1
325.07144	8.0
337.07031	46.3
339.08572	4.3
349.07068	36.2
367.08118	100.0
368.08408	3.4
385.09171	13.7
403.10226	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	402.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00230	2.2
55.87844	2.8
56.05035	2.8
57.03432	6.1
59.05001	100.0
59.23423	2.2
61.05717	2.5
67.05498	3.3
69.03404	6.4
69.07013	2.5
70.06595	35.4
71.28912	2.3
71.29255	3.2
71.58043	2.2
72.08139	8.9
73.02934	2.5
76.02238	3.3
76.04012	15.7
81.03421	5.1
81.07050	5.2
84.04490	8.1
84.08150	16.3
85.02895	15.7
86.09708	25.1
89.06039	29.7
91.05457	4.2
95.04974	4.8
97.02892	5.3
97.48138	2.6
103.07584	4.4
107.07077	27.4
110.06143	2.5
110.07124	4.3
111.65535	2.5
117.09126	23.4
120.90504	2.4
123.04391	7.5
126.03829	4.1
126.09147	6.6
127.02056	3.7
127.03945	7.3
129.10220	10.2
130.05006	2.6
136.07562	4.0
138.09195	2.9
144.08102	5.8
147.04382	4.6
147.10193	3.2
152.07089	2.4
154.08627	86.1
161.09227	3.7
165.11223	10.2
169.29944	2.6
177.05434	9.3
210.05762	4.4
219.06445	3.4
222.11380	3.4
223.15405	99.3
240.12326	4.1
250.10822	3.4
256.06427	14.4
402.14575	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	403.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03939	1.4
54.10707	0.7
55.01870	3.1
55.05523	0.8
55.73526	0.7
56.05030	0.7
59.72083	0.8
65.03925	1.1
67.05502	2.0
68.99794	2.0
69.03439	1.8
70.01749	1.9
70.02133	1.9
70.06593	13.7
71.05013	0.9
71.06905	1.4
72.08163	2.0
72.99123	0.7
74.06081	0.9
77.03912	0.8
79.05498	2.0
81.03416	1.3
82.06560	1.0
83.04965	0.8
84.04493	2.3
84.08143	1.8
85.02908	3.4
86.09705	30.0
91.05488	3.6
93.03392	0.9
93.07047	1.0
95.04964	3.9
97.02872	1.2
97.06517	0.9
99.04453	4.5
105.03394	3.1
107.05013	1.9
107.08539	1.0
109.02878	2.8
109.10109	0.9
110.07177	1.0
111.04442	2.8
113.02370	15.3
115.05409	0.8
116.07027	1.3
119.04944	5.1
120.08101	1.2
123.04433	66.4
127.03908	2.6
129.10248	1.9
130.06502	1.1
132.08165	1.0
135.04404	6.5
136.07626	1.1
137.02345	1.1
137.06012	1.1
139.03902	86.9
140.04199	1.0
143.11835	0.8
147.04407	16.2
149.02309	1.1
149.05954	1.7
150.03134	2.5
151.03902	100.0
152.04262	1.2
155.03409	3.1
159.04457	1.4
159.09261	1.1
161.05984	1.9
163.03905	22.9
165.05475	12.6
170.06136	1.2
171.06772	1.2
173.12874	3.0
175.03976	5.3
177.05495	10.9
179.07095	1.2
181.04990	4.7
183.11285	0.9
187.03914	0.8
189.05504	1.8
191.03410	8.1
193.04996	2.8
201.12314	2.1
203.13953	3.4
205.04997	8.6
207.06389	1.1
209.04433	4.0
217.04941	1.7
223.06000	3.1
233.04449	7.5
235.06097	2.0
249.38931	0.9
251.05515	92.3
252.05878	1.9
263.05502	43.3
264.05997	1.1
274.09399	0.9
285.07605	3.3
288.13596	1.0
296.19547	1.3
303.08649	1.5
321.75827	0.8
364.34549	0.9
385.09164	1.5
385.13916	1.1
386.15891	2.0
403.08347	0.8
403.15079	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	402.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.1
58.99584	14.4
61.01141	1.5
65.03927	4.5
67.05470	2.2
69.48865	1.2
70.06582	2.4
70.07369	4.3
73.01131	1.9
74.00624	1.2
76.03983	2.7
84.04506	29.7
85.04019	2.9
86.00642	2.0
86.99046	12.1
88.02200	8.1
95.04966	16.1
97.01087	2.3
98.00624	3.9
99.02676	15.6
108.08102	4.7
109.06499	3.1
112.02135	1.7
112.03963	1.6
112.07603	2.6
114.03726	1.5
116.01677	64.3
125.04198	2.9
127.02139	67.5
129.06651	1.1
130.05016	9.9
131.04515	1.8
136.07556	4.5
137.08333	4.2
140.01671	2.2
144.01163	15.9
147.19121	0.9
152.05267	10.4
152.96770	1.1
153.03683	4.3
155.08128	1.1
162.00838	1.3
162.02200	25.5
170.06351	58.4
177.03284	5.6
180.04800	5.8
181.03188	2.1
198.05876	11.5
216.06891	1.6
227.08511	14.5
231.04277	1.8
236.07346	4.2
243.04393	3.0
255.08017	9.2
273.09039	100.0
274.09412	1.5
327.10159	5.7
339.10049	1.6
402.13010	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	401.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
53.91825	3.4
55.01865	20.3
55.05516	34.4
56.57791	3.2
57.07072	11.5
66.98105	3.2
67.05499	45.0
69.03439	6.3
69.07075	34.8
70.06570	4.8
71.04983	15.3
71.49693	4.9
74.93293	3.7
79.05505	31.5
81.07054	63.0
83.04910	4.3
83.08624	16.3
84.74239	3.7
85.06547	20.3
87.04482	3.9
88.07616	8.7
89.52525	4.1
91.05467	23.8
93.07056	47.4
95.04987	6.1
95.08609	100.0
97.06530	10.9
97.10183	9.2
102.09188	5.7
105.07023	51.3
107.08607	65.9
109.10160	64.9
111.07365	6.6
111.08086	67.4
119.08588	64.6
121.10155	52.1
123.11729	23.8
125.00066	3.9
125.09630	11.1
131.08591	14.9
133.10121	44.6
135.11707	37.1
137.09636	8.1
137.13339	7.4
143.08566	4.7
143.80368	3.9
145.10066	18.8
147.11699	37.0
149.13292	15.7
157.10126	6.8
159.11699	22.2
161.13254	40.1
163.14836	7.7
165.12791	27.0
171.11665	4.6
173.13260	17.1
175.14830	14.9
177.16418	7.1
179.14346	8.8
179.23431	3.7
185.13216	4.4
187.14792	9.8
189.16420	11.9
191.17989	4.9
193.15872	5.8
199.14859	8.3
201.16399	18.9
203.18013	16.6
213.16428	8.2
215.17969	10.5
217.19554	19.3
229.19423	7.8
245.18919	3.7
285.25751	8.7
301.25589	3.9
339.34451	7.3
383.33163	33.0
401.29504	6.6
401.33911	32.7
401.38644	28.9
402.39478	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	401.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
53.19666	3.9
55.01880	18.9
55.05518	32.2
57.07063	9.1
59.04996	3.5
65.03960	3.6
67.05511	35.4
69.03426	6.4
69.07070	40.8
70.06579	7.3
71.04992	12.9
71.08632	2.9
71.49981	5.5
79.05499	27.5
81.07064	63.0
83.08613	18.1
85.06540	25.1
88.07641	12.3
89.07927	3.5
91.05475	27.8
93.07041	50.5
95.04960	7.1
95.08614	100.0
95.86617	2.9
97.06535	13.9
97.10184	11.0
99.08087	6.0
101.06030	6.6
105.07034	58.3
107.08600	72.9
109.06541	6.4
109.10159	73.2
111.08087	76.2
111.11777	4.6
117.07008	5.1
119.08581	61.1
121.10148	45.8
123.08115	4.7
123.11700	23.1
125.09634	4.5
131.08571	15.9
133.10121	51.7
135.08057	5.1
135.11710	37.9
137.09630	8.0
137.13292	9.3
139.11229	6.6
143.08542	6.5
144.09338	3.8
145.10141	19.7
145.89742	2.8
147.11691	37.1
149.13269	19.1
157.10167	9.8
159.11705	28.8
159.51770	3.2
161.13229	32.0
161.63284	2.8
163.11285	3.8
163.14847	12.6
165.12764	31.7
171.11710	5.7
173.13264	18.8
175.14818	13.9
177.12674	4.0
177.16389	6.1
179.14354	6.5
185.13318	8.5
187.14877	8.0
189.16451	12.4
191.14343	3.3
191.17921	6.4
197.52983	3.0
199.14766	7.6
201.16399	15.9
203.18027	24.3
213.16432	6.0
215.17961	8.5
217.19525	22.0
227.17938	4.0
229.19591	5.4
273.22189	4.5
285.25681	6.9
311.26752	3.2
339.34619	10.9
383.29190	3.6
383.33209	27.3
401.34052	32.4
401.38333	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	401.3414
Annotation	(25R)-26-Hydroxycholest-4-en-3-one
Peak:m/z	Relative Intensity
55.01867	25.6
55.05515	28.6
57.07070	9.0
67.05513	27.5
67.07213	2.8
69.03431	3.0
69.07069	32.9
69.48943	2.2
69.84516	7.5
69.84913	4.5
70.06571	2.9
71.05005	12.4
79.05492	17.4
81.07060	43.7
82.78292	2.4
83.04995	3.8
83.08619	13.4
85.06538	7.6
88.07621	9.2
91.05486	17.3
93.07043	34.2
95.04961	6.6
95.08607	62.6
97.06540	8.4
97.10177	6.0
98.20999	5.6
98.21544	2.4
101.06046	2.4
105.07037	28.7
105.59960	2.4
107.08593	42.7
109.06537	5.4
109.10168	58.5
111.08088	100.0
111.11715	4.5
117.07041	4.0
119.08589	42.4
121.10154	36.6
123.08060	7.6
123.11713	18.5
124.90869	2.4
129.09099	3.1
129.19225	2.1
131.08565	10.4
133.10129	28.4
135.08032	4.8
135.11703	24.4
136.29073	2.3
137.09637	24.9
137.13266	20.2
143.08521	3.6
145.10112	13.5
147.10655	2.9
147.11719	21.2
149.09608	28.5
149.13271	14.6
151.11072	3.8
151.14885	3.6
155.10648	4.1
157.10159	7.2
159.11685	17.8
161.09647	3.0
161.13274	13.2
163.11182	12.7
163.14819	7.3
165.12750	7.8
165.16446	3.1
167.10706	7.5
169.10153	3.0
171.11696	9.5
173.13268	14.2
175.14857	7.6
177.12758	4.1
177.16348	6.8
179.14345	3.9
183.11674	3.6
184.07294	4.9
185.13223	4.4
187.14859	8.0
189.16443	3.9
191.14301	5.9
191.17957	5.2
196.20396	2.3
197.13225	2.9
199.14836	5.5
201.16438	7.0
203.17969	12.8
205.15849	12.8
213.16408	4.1
215.18044	5.9
217.15950	4.0
217.19574	10.5
219.21248	3.1
229.19576	3.3
231.17500	5.4
245.19127	5.7
257.19046	6.0
259.20645	2.9
273.22345	2.9
285.25735	10.6
301.25192	5.3
339.34512	8.2
358.58414	2.5
383.33163	61.0
401.30182	3.0
401.34082	66.1
401.38437	27.2
402.34772	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	401.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
54.07476	1.1
55.01874	10.1
55.05510	21.1
56.05842	2.2
57.03438	1.5
57.07078	7.6
58.06598	2.2
67.05501	17.7
69.03426	2.9
69.07065	17.6
70.06586	16.5
70.07393	1.8
71.04986	7.2
71.06913	3.3
71.08635	4.6
71.49646	1.4
78.53642	1.1
79.05508	7.7
81.07056	27.0
83.04985	2.2
83.08624	9.9
84.08159	1.3
85.06547	7.8
88.07628	25.1
88.08163	1.4
89.07963	4.6
91.05479	8.9
93.07049	18.2
95.08605	39.1
97.06532	5.9
97.10180	4.3
97.89711	1.1
99.08067	2.2
101.06023	2.0
102.09172	11.4
103.09538	2.4
105.07036	18.6
107.08598	27.1
109.06534	2.0
109.10159	35.3
111.08082	48.4
111.11754	1.8
113.09705	1.2
117.07037	1.5
119.08573	25.5
119.09368	1.7
121.10143	19.4
123.08095	2.6
123.11694	11.4
125.09638	3.6
129.09209	1.3
131.08537	5.2
132.10197	1.7
133.10135	18.7
135.11702	14.0
137.09619	3.7
137.13255	5.1
139.11215	2.1
143.08621	2.2
145.10120	8.5
147.11693	16.9
149.09624	1.6
149.13226	8.8
151.11221	1.5
153.12727	1.4
157.10182	3.0
159.11699	12.5
161.09686	1.7
161.13251	11.8
163.11189	2.5
163.14818	5.5
165.12770	8.9
167.14323	2.1
169.10020	1.5
171.11670	1.6
173.13274	6.7
175.14842	6.4
177.12717	1.5
177.16414	2.8
179.14299	2.5
183.11783	1.7
185.13312	2.7
187.14868	3.1
189.16472	4.8
191.17960	2.0
193.15939	1.8
199.14862	3.2
201.16359	6.5
203.17966	10.3
205.15909	1.3
213.16418	3.3
215.17992	4.2
217.19499	7.9
219.17450	1.3
227.17970	1.5
229.19565	1.8
231.17557	1.8
233.19054	1.5
239.23703	1.9
259.20636	1.3
269.22607	1.5
271.24347	1.4
273.25568	1.5
283.24222	1.5
285.25851	3.2
301.25385	1.8
338.34186	2.2
339.34518	32.7
341.28510	1.5
383.33093	14.8
383.37195	2.0
401.34045	11.6
401.38321	100.0
402.34286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60589	1.9
51.02385	2.0
53.03951	1.9
55.01876	12.5
55.05513	21.8
57.07068	5.3
59.05000	1.8
64.81494	2.0
67.05508	17.1
69.07072	23.7
70.06593	12.5
70.67722	3.7
71.04987	8.9
71.06915	1.6
77.66893	1.9
79.05479	10.2
80.37316	1.9
81.07058	38.1
83.05005	3.4
83.08627	10.1
83.83108	1.8
85.06541	7.2
88.07626	25.9
89.07987	5.3
91.05466	11.9
93.07051	24.8
95.04962	3.9
95.08608	49.2
97.06527	4.0
97.10171	7.1
99.08079	2.9
101.06009	2.3
102.09171	7.8
102.19774	2.2
105.07037	21.8
107.08597	33.2
109.06528	3.9
109.10155	28.9
111.08083	39.8
119.08583	35.3
119.09386	3.6
121.10143	28.9
123.08090	3.9
123.11712	16.0
131.08571	5.9
133.10130	22.7
135.11705	18.8
137.09630	8.3
137.13286	3.7
139.11166	2.4
141.30309	1.7
143.86063	2.3
145.10118	12.3
147.11691	19.4
149.09650	4.7
149.13278	10.7
153.12752	2.4
157.10156	5.1
159.11726	10.3
161.13235	17.4
163.11188	2.7
163.14864	7.5
164.53268	2.2
165.12762	15.1
173.13297	7.8
175.14857	6.9
177.16353	5.9
179.14322	7.4
183.11716	2.5
187.14882	3.1
189.16385	6.6
191.17947	3.1
199.14738	2.1
201.16408	2.9
203.17921	19.3
205.15939	3.0
213.16362	3.9
215.17859	4.3
217.19475	13.7
219.17464	2.7
283.23904	2.5
285.25739	5.8
301.25247	9.5
327.26709	3.5
338.33942	3.5
339.34604	29.1
383.33072	26.0
401.28757	85.0
401.34216	9.6
401.38199	100.0
402.29333	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3414
Annotation	Garcinielliptone
Peak:m/z	Relative Intensity
52.68183	2.5
55.01871	24.9
55.05502	10.7
55.79720	2.7
57.07067	8.6
57.42185	2.3
67.05506	17.1
69.07077	13.2
71.04980	4.2
71.08618	2.7
71.50665	3.2
77.57907	2.3
79.05483	8.1
81.07049	27.0
83.08609	9.5
85.06551	6.9
88.41460	2.8
91.05476	8.8
93.07041	18.8
95.08611	33.6
95.65716	2.4
97.10178	4.4
103.23959	2.5
105.07050	20.4
107.08587	20.4
109.06551	3.9
109.10173	34.3
111.08083	100.0
119.08576	25.4
121.10146	20.0
123.08219	2.6
123.11700	8.6
131.08525	5.2
133.10110	14.5
135.11693	8.7
137.09605	6.8
137.13226	9.9
145.10069	7.8
147.11679	14.1
149.09621	8.4
149.13254	9.4
157.10179	4.1
159.11697	7.9
161.13257	7.8
163.11154	2.9
163.14818	4.8
165.09160	6.3
165.12827	12.1
173.13223	4.0
175.14854	4.1
177.16321	3.7
179.14247	5.9
185.13213	2.8
189.16386	3.2
201.16443	4.1
203.17941	8.8
213.16434	2.7
215.18018	3.8
217.19496	6.0
255.89491	2.7
285.25903	2.6
301.25375	5.1
343.87531	2.5
383.33005	25.3
401.34061	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	401.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.5
55.05504	15.6
57.07081	10.1
62.82272	1.7
67.05510	25.8
68.78646	2.0
69.03395	2.4
69.06723	2.7
69.07070	28.8
69.27986	14.8
70.06586	1.8
71.04972	6.8
71.08622	2.3
77.03937	2.1
79.05492	17.5
81.07059	84.2
83.04977	1.9
83.08625	13.2
85.06576	8.9
88.07617	3.7
91.05475	17.8
93.06485	3.2
93.07044	41.7
95.04951	4.3
95.08609	100.0
97.06522	6.2
97.10162	7.9
105.07038	19.5
107.08600	44.3
109.06503	6.4
109.09483	3.0
109.10163	46.5
111.08077	31.2
117.06989	2.3
119.08596	17.0
121.06499	2.7
121.10144	24.5
123.08038	4.8
123.11717	31.8
125.09625	3.2
127.07547	2.1
131.08548	8.5
133.10170	14.0
135.08037	5.2
135.11703	30.9
137.09630	51.3
137.13254	55.9
143.08525	2.6
145.10139	8.9
147.11690	16.6
149.09624	34.6
149.13261	16.1
151.11217	3.3
151.14810	4.3
153.09059	6.2
155.10625	5.3
157.10117	2.5
159.11632	5.6
161.13246	6.1
163.11189	9.0
163.14847	4.4
165.12692	2.7
167.10698	7.7
171.11671	3.9
173.13271	5.8
175.11186	2.6
175.14841	5.1
177.12779	2.2
177.16406	3.1
179.14284	2.5
185.13153	2.7
187.14841	4.0
189.12709	4.2
189.16307	2.3
191.14326	12.5
191.17880	2.2
193.19550	4.7
201.16539	2.6
203.14290	2.0
205.15869	5.3
207.13762	3.8
207.17522	2.0
209.15427	2.9
215.17816	3.7
217.19514	2.4
224.07526	1.9
231.17413	2.0
233.18983	10.2
247.20641	4.4
257.22583	2.2
273.25754	3.1
327.26822	2.0
339.34485	4.0
383.28915	2.6
383.33163	28.5
401.29843	2.3
401.34036	38.4
401.38388	11.1
402.39307	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	400.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14370	1.6
61.34008	1.8
69.07056	1.7
70.06593	15.2
71.49793	4.0
72.08137	3.8
73.23023	1.7
79.05447	2.5
84.04515	3.1
84.08131	2.9
85.02893	2.2
86.09693	4.1
93.07979	1.8
103.05468	2.5
105.07031	100.0
110.06006	3.4
122.08783	2.5
122.09668	51.4
130.06502	2.5
140.38658	1.7
147.04379	3.3
152.05655	4.2
155.08069	1.8
163.03909	2.6
207.79910	1.9
216.91129	1.7
236.11021	1.6
238.10669	2.7
245.49878	1.7
268.14038	3.4
273.16327	1.8
286.94806	1.7
322.10806	2.0
356.92191	1.8
389.64682	1.7
400.10904	1.9
400.22275	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	401.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92699	2.5
51.35637	2.8
55.01874	3.2
55.05503	4.3
56.14117	2.5
57.03424	3.0
62.79026	2.6
67.05512	6.8
69.03423	4.6
69.07040	3.0
69.28691	25.8
70.06588	18.5
72.08147	3.7
75.99767	2.5
79.05479	16.5
81.03410	3.0
81.07057	11.1
83.04990	3.4
84.08143	12.1
85.02929	4.7
86.09701	7.9
91.05492	14.1
93.07052	8.1
95.04964	9.5
97.06532	6.0
98.20943	10.4
102.30199	3.0
103.05495	3.5
105.07029	9.6
107.04974	38.9
107.08585	5.9
109.06533	3.1
110.07189	3.9
115.05416	3.0
119.08584	4.9
121.10136	5.1
123.04430	8.8
124.05253	8.0
125.06012	3.9
128.06177	4.3
129.07008	7.8
131.04944	5.5
131.08560	16.6
134.73671	3.0
135.04550	2.9
137.05971	4.4
140.04738	3.1
141.07076	4.8
144.05730	8.2
145.06526	8.1
145.10048	3.0
147.04385	4.3
152.04703	5.4
156.05685	15.6
156.66447	2.9
157.06494	4.3
159.08093	18.9
159.09225	4.3
161.06017	5.6
163.03975	3.8
165.09106	3.4
167.07053	100.0
169.07675	4.2
170.07272	3.7
171.11794	3.2
173.05972	5.5
177.05513	4.6
179.07016	4.4
181.04962	9.8
181.08598	4.4
184.05206	4.7
186.07024	2.9
187.07596	12.0
190.06250	4.1
190.07773	3.7
191.06990	4.1
193.06665	3.7
193.08502	3.6
195.06567	3.8
202.06262	5.5
202.07895	4.2
205.06703	5.8
205.08647	15.9
207.06541	6.5
207.10007	3.8
208.05196	22.2
208.08748	3.7
217.08623	35.1
218.07266	3.3
219.08018	11.1
219.10210	9.7
220.08879	6.3
221.06027	6.9
229.08643	7.9
230.07169	4.2
231.08122	8.9
233.09671	7.3
234.06624	3.3
236.04721	6.9
236.08270	4.4
238.06384	4.0
245.09636	6.0
247.07593	18.8
247.09695	23.6
248.08331	15.2
251.10544	4.2
254.05760	8.2
256.44443	3.1
261.09158	8.8
262.09952	6.7
263.07034	5.1
263.10730	11.2
264.07748	7.9
265.08575	6.0
267.06485	10.2
269.08142	30.2
271.09686	12.1
272.06738	6.0
275.07248	6.8
276.07858	11.6
277.08627	7.6
279.10294	8.5
281.08090	3.7
282.05560	3.4
282.08884	15.4
290.09402	6.1
291.10126	18.7
292.07410	5.2
293.08075	7.8
299.09082	3.7
301.07013	4.4
307.09625	12.7
308.10358	4.9
310.08298	8.3
315.08640	82.2
319.09586	11.3
321.07605	4.3
321.11179	3.6
323.12766	16.0
325.10629	4.1
328.09634	5.0
330.10999	86.7
331.11731	13.6
336.09903	7.1
337.10699	10.3
339.12308	12.2
343.11786	26.2
351.12314	36.0
352.12805	5.6
353.09964	5.9
368.12585	12.3
369.13229	7.2
371.14981	7.2
383.14905	70.9
401.16016	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71639	1.7
55.01866	5.8
57.03439	15.9
58.14965	1.6
61.02917	16.7
69.03428	28.3
69.27361	16.2
70.06580	10.0
71.04947	1.6
73.02916	75.0
78.90830	1.9
81.03410	6.7
83.04957	3.7
84.04517	2.5
84.08118	2.5
85.02903	100.0
86.09713	3.9
87.04451	4.7
91.03956	3.7
97.02892	54.2
99.04450	4.9
101.05989	5.1
103.03930	2.4
107.89056	1.7
109.02870	9.6
110.03531	1.5
115.03927	22.8
119.76536	1.9
127.03905	27.4
133.04968	36.7
136.07590	1.8
145.03781	2.8
145.04950	57.7
150.07603	2.4
163.06003	27.0
223.06007	5.3
241.07126	4.2
251.14789	2.8
259.08127	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.9
55.05498	3.6
57.03438	16.4
59.04983	2.6
61.02701	1.3
61.02929	14.0
64.09494	1.6
69.03433	33.5
70.06594	9.5
70.85403	4.0
70.85751	2.7
71.01363	3.6
71.04990	3.0
72.08154	3.0
73.02921	78.9
81.03419	5.8
82.06621	1.7
84.04485	5.6
84.08126	4.3
85.02907	100.0
86.09715	4.2
87.04451	7.9
91.03967	3.5
97.02897	55.0
97.16721	1.6
99.04462	4.4
100.07616	3.6
100.11266	4.9
103.03919	4.1
109.02879	10.2
111.04446	4.1
112.04781	2.6
115.03933	25.0
120.08050	2.7
124.93559	1.8
127.03923	29.2
133.04976	34.7
136.07614	2.7
140.07082	3.8
145.04965	58.3
150.07668	3.3
163.06033	29.2
181.04897	2.1
182.15413	5.7
183.15729	4.7
193.05003	2.1
207.11330	1.8
210.14900	5.6
211.15129	8.5
223.06052	5.5
241.07138	6.8
251.14818	2.9
259.08179	6.2
262.84485	2.0
338.21570	4.4
353.25665	2.1
355.24106	5.1
383.23862	3.0
400.26382	3.6
414.95023	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01870	2.5
55.05516	17.6
57.03426	4.0
57.07070	8.1
59.04982	2.8
65.03935	2.4
67.05506	30.5
69.03448	3.3
69.07071	24.3
69.15194	10.0
69.15617	9.6
70.06591	2.0
71.05012	3.2
71.08607	3.7
79.05489	15.3
81.03415	4.0
81.07060	49.3
83.04990	4.1
83.08624	12.9
85.06538	7.4
87.81223	2.0
91.05494	16.2
93.07054	49.1
95.05003	4.4
95.08612	100.0
97.06517	3.6
97.10175	5.6
98.20678	3.9
99.04472	4.1
101.06041	9.1
105.07034	34.4
107.07878	3.8
107.08598	69.1
109.06502	5.0
109.10172	44.8
111.08131	4.6
111.11729	4.3
117.07028	3.1
119.08586	36.6
121.06532	2.4
121.10146	55.7
123.11728	16.0
125.09625	3.3
129.06973	2.5
131.08574	7.9
133.10141	32.9
135.08092	5.3
135.11703	56.8
137.09613	2.2
137.13290	6.6
143.05333	1.9
145.10101	10.2
147.11685	32.4
149.09590	2.8
149.13258	28.8
157.10149	5.4
159.11670	12.1
161.13268	15.5
163.11185	4.9
163.14801	11.9
165.12711	2.3
167.10675	2.9
171.11699	2.8
173.13197	10.6
175.14832	11.2
177.12764	11.6
177.16461	5.3
177.53581	2.1
181.12215	9.0
185.13283	4.3
187.14911	2.7
189.16370	13.0
191.14325	7.8
191.17955	63.2
193.12386	3.4
195.13828	18.0
199.14870	2.9
201.16348	2.7
203.17972	18.4
205.19556	4.6
207.13857	10.0
209.15396	22.7
215.17946	2.0
217.19547	20.3
221.15340	2.4
249.18643	2.1
257.22516	3.1
289.21637	3.0
329.24960	2.5
381.31537	2.9
399.20001	2.8
399.27292	7.8
399.32462	48.7
399.37149	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	399.3259
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
50.09040	1.4
55.05505	6.5
57.07080	3.4
67.05508	13.2
69.03424	3.3
69.07071	15.7
71.04992	2.9
71.50737	1.7
79.05503	5.4
81.07059	24.8
83.08623	5.0
85.06540	6.7
85.10162	1.8
91.05473	4.1
93.07050	9.3
95.08611	35.9
97.10184	2.4
97.69781	1.4
105.07032	4.1
107.08591	15.2
109.06524	1.5
109.09469	2.5
109.10165	26.6
111.11717	4.9
119.08587	6.4
121.10151	13.3
123.11724	10.6
125.06004	6.0
131.08607	1.9
133.10126	3.8
135.08052	14.3
135.11713	12.7
137.13248	7.2
145.10139	3.7
147.11754	3.4
149.09549	2.0
149.13228	10.1
151.11172	10.2
159.11676	3.0
161.13297	3.0
163.11179	7.7
163.14813	9.6
165.09152	3.3
175.11226	3.8
179.10706	5.6
180.11482	3.5
181.12228	29.5
181.13708	2.4
191.17973	6.1
193.12210	2.5
200.94366	1.7
205.19484	4.4
207.13899	2.3
219.21031	3.0
221.15408	3.5
223.68105	1.4
262.23660	1.5
381.31555	5.4
399.32574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29797	0.4
56.96564	6.6
64.50848	0.4
69.27006	3.4
71.11465	0.3
71.95267	2.3
98.97587	91.0
99.97903	0.5
101.85100	0.4
110.70683	0.5
116.98627	35.4
132.33163	0.4
134.99670	7.8
140.00218	0.9
153.00681	0.6
171.42975	0.4
172.94379	4.3
177.00940	0.4
181.81674	0.4
185.43256	0.4
190.95428	2.9
197.95096	0.7
214.95360	3.8
218.31461	0.5
219.18802	0.4
232.96446	6.0
250.95364	0.4
250.97496	2.5
256.96448	19.0
258.99829	3.3
261.00510	0.4
261.03110	2.0
262.03134	1.1
263.02759	0.6
274.97516	100.0
275.97845	0.9
276.98032	0.7
277.00824	2.7
283.00006	0.8
284.00079	0.4
284.99850	1.0
291.98352	0.9
292.98563	42.1
293.98761	0.7
297.99179	2.5
298.97714	1.0
301.01205	0.9
303.00806	1.4
316.00262	0.5
316.98874	0.5
374.98657	0.7
398.97562	1.3
416.98615	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	399.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21342	0.4
55.05495	1.1
57.03442	0.4
57.07062	1.1
59.80595	0.4
60.04509	0.5
67.05495	1.6
69.07053	1.3
71.04979	0.9
71.08623	0.7
71.16689	0.4
71.50486	0.5
79.05471	1.4
81.07049	2.6
83.04983	0.4
83.08610	1.0
87.04443	0.4
91.05475	1.3
93.07040	2.6
95.08615	3.2
97.10159	0.5
105.07019	1.6
107.08589	1.7
109.10139	2.0
112.39744	0.4
115.04271	0.5
119.08591	1.9
121.06549	0.4
121.10138	1.5
123.11699	0.9
125.09624	0.5
127.11183	1.6
131.08551	0.4
133.10083	0.9
135.11684	1.3
137.09630	0.6
143.08534	0.6
145.10139	0.9
147.11635	0.9
149.13263	0.5
159.11621	1.0
161.13271	0.7
163.11185	0.6
171.11763	0.5
173.13284	0.7
175.14781	0.6
189.16351	0.5
199.14781	0.4
330.35379	0.5
381.31509	1.2
399.30817	100.0
400.30991	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2691
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
51.02390	0.4
52.83004	0.5
53.03936	0.6
55.05494	2.1
56.19620	0.5
57.07062	1.3
59.04993	0.7
63.20609	0.4
67.05496	2.9
68.05025	2.7
69.07060	2.3
70.05489	1.7
70.05844	0.6
70.06594	15.9
71.99046	0.4
74.02406	0.7
79.05495	5.8
80.05009	0.8
81.05791	0.6
81.07059	4.3
83.04975	0.5
83.08600	1.5
84.08107	0.7
85.06526	0.8
86.09682	0.6
91.05482	7.5
93.07037	8.6
94.06553	2.1
94.07744	0.4
95.04966	3.0
95.08617	4.0
96.08135	3.3
97.06567	0.6
98.06036	1.2
100.07619	5.6
100.21304	0.5
103.05479	0.5
105.07036	14.0
106.06563	0.8
106.30737	0.4
107.08597	6.6
108.08099	2.7
109.06510	0.9
109.10162	2.0
114.05538	4.9
116.06341	0.7
116.07100	6.4
117.07025	3.8
119.08587	15.4
120.08120	4.5
121.06480	0.8
121.10140	3.5
122.09679	3.5
123.11655	0.7
128.06204	1.2
128.07085	5.5
129.06979	2.1
130.07759	1.9
131.08566	9.2
132.08066	0.5
133.09035	0.8
133.10133	7.3
134.09633	1.2
135.08038	1.9
135.11684	1.0
136.11220	2.0
141.06973	0.7
142.07745	1.9
142.08708	1.0
143.08554	5.8
144.09346	1.3
145.10124	9.9
146.09636	1.5
147.11665	3.8
148.11226	6.4
149.09586	0.8
149.11967	0.5
151.06267	1.7
154.08623	2.0
155.08568	2.1
156.09323	1.3
157.10129	4.8
158.10876	1.2
159.11702	3.8
160.11212	1.7
161.09619	0.6
161.13307	1.3
162.12856	1.3
163.14844	0.5
164.07091	0.5
166.08656	1.7
167.08620	1.0
168.10234	19.7
169.10129	2.5
170.10902	0.6
171.11705	2.9
173.13287	4.9
174.12842	0.6
175.14818	2.5
178.08635	6.6
179.08511	0.6
180.09189	0.6
181.10092	1.6
182.10941	0.5
183.11690	3.9
185.13228	2.3
185.53893	0.5
186.12733	0.9
187.14857	1.5
191.10609	0.6
192.10216	3.0
194.11823	11.2
195.11734	2.1
197.13287	2.3
199.14844	1.8
200.14299	0.6
206.11803	1.5
209.13290	3.2
211.14874	1.3
218.11719	0.8
225.16209	0.7
227.14401	0.5
230.11728	0.9
232.13422	0.8
234.14941	0.8
235.14903	1.1
239.17993	0.8
244.13356	0.8
245.13980	0.5
253.15974	0.6
258.14969	0.7
260.16425	4.1
265.19519	1.3
274.30127	0.5
283.20639	0.9
306.20566	3.6
370.78656	0.5
380.25922	8.3
398.26907	100.0
399.27264	1.7
423.39639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.6
57.03438	18.4
61.02930	14.6
69.03433	31.6
69.07068	29.5
70.23230	8.8
71.01357	4.2
71.05000	2.5
73.02919	71.2
74.00715	2.2
81.03411	6.9
85.02908	100.0
86.09712	2.4
87.04476	4.3
89.34870	2.2
91.03967	2.4
95.08559	3.1
97.02892	58.6
97.03526	2.8
99.04456	4.4
99.86031	2.2
101.02374	2.2
103.03972	3.5
109.02900	10.9
111.08054	2.5
113.21093	2.2
115.03939	27.9
123.08108	2.9
124.07590	5.1
126.09162	2.3
127.03931	27.0
133.04979	41.1
145.04964	46.4
163.06029	28.6
183.10118	2.9
194.75146	2.3
201.03683	2.5
217.06947	2.7
223.05962	7.7
231.12274	2.3
241.07028	10.0
259.08176	12.2
259.14047	3.1
277.15356	2.2
295.10330	6.7
332.53424	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	398.269
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03920	1.5
55.05499	5.3
57.03417	1.6
59.04990	2.0
67.05508	8.1
68.05025	9.8
68.55301	1.4
69.07059	4.4
70.06595	42.9
70.09138	3.2
70.09538	3.1
70.78127	1.6
71.58671	1.8
79.05505	9.0
81.03426	2.0
81.07058	9.6
82.06590	1.9
83.04958	1.6
84.08138	1.4
86.09725	1.6
87.04469	2.0
91.05482	20.4
93.07063	10.4
94.06535	1.7
95.04967	28.0
95.08600	4.6
96.08141	4.3
97.02886	1.6
98.06031	1.7
100.07635	10.1
100.13722	1.3
103.05466	2.6
105.07031	39.0
107.05007	2.1
107.08596	8.8
108.08103	5.4
109.06506	1.9
109.10149	5.1
114.05553	14.6
116.07105	13.4
117.07030	12.0
119.08583	64.9
120.08099	7.1
121.10166	8.3
122.09648	8.9
128.06239	2.8
128.07074	13.2
129.07018	7.2
130.07799	8.3
131.08580	15.5
133.09171	2.0
133.10133	10.3
135.08043	1.7
135.11771	1.9
136.11229	5.4
142.07748	2.4
143.08554	11.4
144.09332	6.1
145.10120	48.8
146.09613	1.9
147.11693	14.7
148.11177	7.9
151.06273	3.1
152.07121	1.5
154.08662	1.8
155.08540	2.0
157.10143	6.3
158.10971	1.6
159.11688	3.6
161.09729	1.9
161.13300	1.8
166.08682	3.4
168.10216	69.3
169.10127	4.3
171.11719	3.7
172.11122	2.7
173.13341	7.9
175.14842	4.3
178.08650	14.2
179.08513	2.2
181.10048	1.9
183.11696	5.0
185.13243	4.4
187.14899	1.8
192.10229	3.4
194.11850	11.8
195.11749	2.6
196.12149	1.3
197.13287	3.6
198.12712	1.4
199.14815	1.4
204.02737	1.4
206.11841	2.6
207.11696	1.8
209.13246	5.1
211.14861	3.1
214.15956	4.3
214.27737	1.5
232.13452	1.9
239.17838	2.1
244.13368	4.3
258.14822	7.4
259.15723	3.5
260.16449	54.4
265.19534	3.1
267.21091	1.5
273.98538	1.3
284.06595	2.1
288.19534	5.4
324.09351	1.7
380.25827	91.6
385.20706	1.6
398.26920	100.0
398.31259	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	397.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44832	1.7
55.05508	18.9
57.07077	22.1
67.05507	31.9
69.07063	35.6
71.08629	20.3
79.05497	18.0
81.07053	59.6
83.08615	17.0
85.10185	14.8
91.05477	20.0
93.07050	27.1
95.08605	61.3
97.10152	12.7
98.21259	11.6
105.07030	36.7
107.08598	27.0
109.10156	45.9
109.10777	1.2
111.11732	11.1
117.06989	3.2
119.08580	31.8
121.10149	20.2
123.11700	16.5
125.13268	4.2
131.08542	4.9
133.10138	23.4
135.11696	45.5
137.13248	6.9
138.04863	2.4
145.10114	9.2
147.11685	74.2
149.13264	19.4
151.14825	4.6
151.60048	2.1
159.11681	7.7
161.13248	40.4
163.14838	6.7
165.16405	4.3
173.13275	3.4
175.14821	18.9
187.14819	4.4
189.16418	10.5
201.16437	6.0
203.17976	9.0
215.17860	9.9
217.19482	5.3
229.19611	5.9
243.21159	9.9
257.22705	11.6
261.25873	5.9
273.25555	3.1
287.27332	6.2
301.28741	2.7
313.24167	2.3
315.30502	3.1
397.38315	100.0
398.38516	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	397.31
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03930	3.8
55.01865	2.0
55.05511	13.8
57.07062	4.4
61.39994	2.1
67.05509	21.4
68.83233	2.2
69.07069	14.9
71.04973	3.7
71.50233	3.5
79.05492	18.6
81.06602	3.6
81.07060	70.3
83.08613	6.5
85.06548	19.4
91.05480	14.4
93.07047	36.6
93.28550	1.9
93.72132	2.1
95.08069	3.8
95.08620	49.8
97.06522	3.2
97.10149	6.4
99.04444	7.9
101.06028	4.2
103.05437	3.0
105.07029	31.8
107.08587	42.1
109.06518	5.5
109.10157	24.5
117.07034	7.8
119.08588	48.1
121.10156	30.2
123.08067	2.9
123.11698	14.6
127.07561	7.8
129.07039	2.7
131.08575	18.3
133.10136	31.0
135.11693	19.9
137.13217	4.0
140.25563	2.5
141.09117	2.1
142.07764	4.1
143.08566	8.0
145.10132	31.4
147.11699	20.9
149.09645	3.2
149.13271	15.6
151.11221	2.2
153.09018	2.1
156.09332	2.9
157.10118	16.2
159.11707	35.9
161.13266	16.2
163.11148	2.6
163.14847	12.3
167.10713	2.8
169.10094	3.7
171.11664	17.8
173.13266	25.7
175.14856	7.5
177.16310	3.1
181.12321	3.6
183.11777	4.3
185.13258	9.8
187.14847	17.8
189.16380	11.8
191.17870	3.5
193.12289	3.4
197.13344	4.6
199.14841	9.1
201.16368	12.6
203.18031	7.0
211.14915	4.9
213.16400	19.4
215.17877	10.9
217.19418	3.5
221.15302	3.5
225.16357	2.4
227.17976	15.1
229.19572	5.8
233.15314	4.0
235.16957	3.7
237.90564	2.2
241.19522	8.7
243.21033	4.2
247.16972	3.0
249.18605	3.3
255.21147	5.8
257.22604	6.3
269.22687	7.5
271.24152	3.6
273.18524	3.3
283.06183	3.2
283.24197	13.6
327.23169	3.0
335.47375	2.2
341.24796	4.5
355.26132	2.6
379.30017	5.1
397.25739	5.4
397.31021	100.0
398.31430	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	397.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.7
55.55572	3.8
57.07070	10.8
59.12376	4.7
62.03099	4.0
67.05512	33.8
69.07068	39.1
71.08611	7.2
72.04520	18.3
79.05502	25.1
81.07059	81.6
83.05001	4.7
83.08611	17.8
85.06512	9.0
86.09716	54.8
91.05480	21.7
92.11343	4.7
93.07045	57.4
95.05005	5.9
95.08614	100.0
97.06525	5.6
97.10158	7.0
98.21630	8.5
105.07049	49.1
107.08599	69.9
107.69498	3.9
108.58357	5.4
109.10167	54.7
111.66315	4.3
113.09634	8.4
117.07037	4.9
119.08582	56.2
121.10136	60.2
123.11734	22.1
125.06023	4.9
129.07011	6.4
131.08568	22.5
133.10109	36.3
135.11707	35.1
137.13242	10.6
139.11157	8.2
143.08560	11.0
145.10123	41.5
147.11690	32.7
149.13229	19.7
156.09288	5.5
157.10080	15.9
159.11682	46.1
161.13309	29.8
163.11165	5.3
163.14832	18.3
171.11682	14.9
173.13286	31.1
175.14835	20.1
177.12744	9.1
177.16405	11.9
178.13113	5.2
183.11665	4.6
187.14816	21.1
189.16402	18.2
191.17924	7.2
192.76105	4.6
199.14932	6.2
201.16402	15.6
203.14349	4.8
203.17978	13.2
213.16278	7.4
214.34164	5.5
215.17935	17.9
227.17891	8.9
229.19553	14.9
241.19414	5.4
243.21056	6.8
245.39633	4.7
257.22672	12.0
271.24164	11.8
339.30496	7.8
355.30392	5.2
379.33496	13.5
392.95630	6.5
397.25940	6.0
397.30453	13.8
397.34830	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84565	2.3
55.01857	2.2
55.05517	3.2
56.02670	2.1
57.03422	2.8
59.04977	3.3
59.94259	2.2
67.05499	8.6
68.03878	2.0
69.03437	6.2
69.07068	5.3
69.36204	10.0
69.36627	9.3
70.06574	12.8
79.05498	5.8
81.03420	6.6
81.07058	16.0
81.78061	2.0
83.04973	3.2
84.08150	5.2
85.02915	6.6
85.24767	2.2
86.09711	7.5
87.24345	2.2
91.05463	12.2
93.07042	7.2
95.04984	4.2
95.08614	9.8
97.02915	3.5
98.20779	4.7
103.05482	5.7
105.07035	8.7
107.04962	4.7
107.08588	8.0
109.02898	6.1
109.06512	5.8
109.10173	13.5
117.06986	2.9
119.04923	11.8
119.08601	6.0
120.08092	2.8
121.02861	6.2
121.10167	3.0
122.03666	6.2
122.06077	4.4
123.04411	2.8
123.11685	2.4
127.03935	10.6
128.06189	4.6
129.07018	7.7
131.04942	2.8
131.08560	6.6
133.10147	8.9
135.11674	11.8
137.05978	100.0
141.06969	2.6
141.40515	2.6
142.07846	3.3
145.06493	2.9
145.10159	3.0
147.04437	8.0
147.08012	3.8
147.11656	2.3
149.06030	5.3
151.07556	14.7
155.08548	6.5
157.06522	2.5
158.07242	2.6
159.08023	6.2
161.05968	15.4
163.03903	5.4
165.01903	7.5
165.07071	4.3
170.07251	3.6
171.08080	5.8
172.08846	4.2
173.09621	3.2
175.07593	3.0
175.14825	5.3
182.07202	4.8
183.08060	7.0
185.05934	2.6
185.09647	10.3
187.06030	5.1
187.07576	7.5
187.11227	4.3
189.09053	3.1
191.07008	5.7
193.15898	6.5
197.09615	11.3
198.06728	18.7
199.07524	11.1
201.09171	4.9
202.07803	3.8
210.06830	4.6
211.07550	5.1
211.16919	4.9
212.08353	3.8
213.09079	17.1
215.07118	3.0
215.10646	6.7
217.14223	3.1
225.09041	13.4
231.08028	3.7
231.10278	2.4
233.09744	3.1
239.49062	2.9
243.10130	17.2
247.07544	2.7
255.10150	6.1
257.09714	3.4
261.09155	4.0
271.05594	2.9
273.08713	4.5
273.11298	61.7
273.14032	4.9
274.09750	2.8
275.10608	3.6
276.08087	3.9
277.08743	4.0
277.12259	2.5
278.09167	3.1
279.06677	3.7
283.06046	45.9
285.09134	3.3
287.06918	2.7
288.07779	4.1
289.08862	4.2
289.12125	3.2
291.10263	7.9
292.07382	4.0
293.08270	4.3
293.11459	4.4
295.06030	3.7
303.10150	7.8
304.11035	3.3
305.08252	4.5
305.11679	3.0
307.06271	3.6
307.09738	10.0
308.10364	5.1
309.07736	5.2
313.06888	3.1
317.11710	5.6
320.10492	3.2
321.07495	3.5
321.11148	8.1
323.09192	14.7
325.10776	4.1
333.07541	3.0
333.11179	2.9
334.11847	5.0
335.12875	5.9
336.13696	3.0
337.06818	3.2
349.07135	6.0
349.14447	8.1
351.08624	5.0
351.12329	11.5
353.13751	4.5
354.14685	23.0
355.11984	2.3
361.07080	4.2
361.14621	3.0
367.15381	5.3
379.08377	12.4
379.15482	15.6
397.08902	20.7
397.16513	84.8
398.17014	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	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84565	2.3
55.01857	2.2
55.05517	3.2
56.02670	2.1
57.03422	2.8
59.04977	3.3
59.94259	2.2
67.05499	8.6
68.03878	2.0
69.03437	6.2
69.07068	5.3
69.36204	10.0
69.36627	9.3
70.06574	12.8
79.05498	5.8
81.03420	6.6
81.07058	16.0
81.78061	2.0
83.04973	3.2
84.08150	5.2
85.02915	6.6
85.24767	2.2
86.09711	7.5
87.24345	2.2
91.05463	12.2
93.07042	7.2
95.04984	4.2
95.08614	9.8
97.02915	3.5
98.20779	4.7
103.05482	5.7
105.07035	8.7
107.04962	4.7
107.08588	8.0
109.02898	6.1
109.06512	5.8
109.10173	13.5
117.06986	2.9
119.04923	11.8
119.08601	6.0
120.08092	2.8
121.02861	6.2
121.10167	3.0
122.03666	6.2
122.06077	4.4
123.04411	2.8
123.11685	2.4
127.03935	10.6
128.06189	4.6
129.07018	7.7
131.04942	2.8
131.08560	6.6
133.10147	8.9
135.11674	11.8
137.05978	100.0
141.06969	2.6
141.40515	2.6
142.07846	3.3
145.06493	2.9
145.10159	3.0
147.04437	8.0
147.08012	3.8
147.11656	2.3
149.06030	5.3
151.07556	14.7
155.08548	6.5
157.06522	2.5
158.07242	2.6
159.08023	6.2
161.05968	15.4
163.03903	5.4
165.01903	7.5
165.07071	4.3
170.07251	3.6
171.08080	5.8
172.08846	4.2
173.09621	3.2
175.07593	3.0
175.14825	5.3
182.07202	4.8
183.08060	7.0
185.05934	2.6
185.09647	10.3
187.06030	5.1
187.07576	7.5
187.11227	4.3
189.09053	3.1
191.07008	5.7
193.15898	6.5
197.09615	11.3
198.06728	18.7
199.07524	11.1
201.09171	4.9
202.07803	3.8
210.06830	4.6
211.07550	5.1
211.16919	4.9
212.08353	3.8
213.09079	17.1
215.07118	3.0
215.10646	6.7
217.14223	3.1
225.09041	13.4
231.08028	3.7
231.10278	2.4
233.09744	3.1
239.49062	2.9
243.10130	17.2
247.07544	2.7
255.10150	6.1
257.09714	3.4
261.09155	4.0
271.05594	2.9
273.08713	4.5
273.11298	61.7
273.14032	4.9
274.09750	2.8
275.10608	3.6
276.08087	3.9
277.08743	4.0
277.12259	2.5
278.09167	3.1
279.06677	3.7
283.06046	45.9
285.09134	3.3
287.06918	2.7
288.07779	4.1
289.08862	4.2
289.12125	3.2
291.10263	7.9
292.07382	4.0
293.08270	4.3
293.11459	4.4
295.06030	3.7
303.10150	7.8
304.11035	3.3
305.08252	4.5
305.11679	3.0
307.06271	3.6
307.09738	10.0
308.10364	5.1
309.07736	5.2
313.06888	3.1
317.11710	5.6
320.10492	3.2
321.07495	3.5
321.11148	8.1
323.09192	14.7
325.10776	4.1
333.07541	3.0
333.11179	2.9
334.11847	5.0
335.12875	5.9
336.13696	3.0
337.06818	3.2
349.07135	6.0
349.14447	8.1
351.08624	5.0
351.12329	11.5
353.13751	4.5
354.14685	23.0
355.11984	2.3
361.07080	4.2
361.14621	3.0
367.15381	5.3
379.08377	12.4
379.15482	15.6
397.08902	20.7
397.16513	84.8
398.17014	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	396.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05511	12.5
56.05038	5.3
57.03430	1.1
57.07060	2.3
60.04528	100.0
66.43678	0.9
67.05504	13.6
68.05027	2.0
69.07072	8.1
69.45711	2.3
69.46117	5.0
70.06580	1.7
71.08633	2.4
72.04504	3.5
73.02934	1.2
74.06083	2.0
79.05495	8.3
80.20071	1.0
81.07060	17.3
82.06577	3.3
83.08627	11.0
84.08147	1.0
85.10163	1.5
86.06042	1.0
90.05544	2.1
91.05469	5.3
93.07042	6.7
94.06545	2.2
95.08607	14.5
96.08125	2.0
96.33961	0.9
97.06554	1.0
98.09662	1.2
105.07052	2.6
107.08585	3.7
108.08125	1.0
109.10146	5.6
110.09692	1.2
112.07613	1.2
112.11247	2.1
119.08574	3.1
121.10127	3.0
122.09670	1.4
123.11686	1.7
124.11229	1.7
127.49928	0.8
133.10139	2.2
135.11711	1.3
140.10713	2.2
142.12277	38.9
145.10129	1.2
147.11661	1.3
159.05679	0.9
217.02332	0.9
250.25333	2.4
262.25354	2.8
268.26395	2.4
280.26367	22.7
298.27390	31.7
378.33646	2.7
396.34705	46.5
397.35300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0915
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
53.03942	0.3
55.01875	1.9
57.03432	1.4
65.03935	0.7
67.01847	0.4
68.99780	1.4
69.03413	0.6
70.06566	0.2
70.74821	0.2
70.75150	0.4
71.66640	0.2
73.48563	0.1
79.01839	0.4
79.05455	0.4
81.03416	1.4
83.01308	0.2
84.08141	0.2
85.02906	2.6
86.09710	0.3
91.05478	1.8
92.46392	0.1
92.99749	0.5
93.03410	0.3
93.06988	0.2
95.04932	0.4
97.02897	0.9
97.93070	0.2
103.05441	0.4
105.03399	0.2
107.04942	0.4
109.02880	1.7
109.06514	0.3
111.04448	0.2
114.53038	0.2
115.05408	0.5
119.04260	0.1
119.04933	4.9
121.02863	11.5
121.06464	0.2
123.00797	1.1
123.04364	0.2
131.04933	1.6
133.02841	0.4
135.04420	0.7
137.02319	0.8
138.09152	0.2
141.01811	2.1
143.04900	0.2
145.02829	3.4
147.04375	1.1
149.02364	1.1
149.03448	0.2
149.03816	0.1
149.05962	0.3
151.03883	0.3
153.01794	0.7
157.02882	0.2
159.04370	1.3
161.02235	0.3
161.06004	0.2
163.00247	0.5
163.03900	3.6
165.01830	22.5
166.02191	0.4
167.03403	0.6
169.02852	0.5
171.04411	0.4
173.02321	0.4
175.03825	0.9
177.01830	0.5
177.05476	1.3
178.99739	0.3
179.03398	0.7
181.04909	0.4
183.01346	0.3
183.02898	4.3
187.03891	3.7
189.01808	1.8
190.02643	0.8
190.99713	0.8
191.03406	0.8
193.04996	0.2
195.02948	0.3
195.06493	0.4
197.02321	0.3
199.03928	0.2
202.02538	0.2
203.03375	1.3
205.01385	0.2
205.04967	2.6
207.02876	0.5
208.03601	0.2
209.00815	0.3
213.01955	0.2
213.05545	0.2
215.03391	1.4
219.03026	0.2
221.04506	0.3
227.07140	0.2
229.05020	0.9
231.02826	1.1
233.04446	0.8
239.06989	0.2
242.05756	0.6
243.02869	1.6
249.03905	0.4
249.09203	0.2
252.07915	0.2
253.08482	0.3
254.05759	0.4
255.06552	0.8
256.07156	0.2
261.03864	0.6
263.07004	0.3
267.06494	3.5
268.06970	0.2
269.04416	0.3
270.05212	1.6
271.05994	8.1
273.03925	0.3
277.08755	0.8
279.06528	3.3
280.07111	0.8
281.04550	0.8
281.08051	4.1
282.05286	0.2
283.05991	100.0
284.06454	4.4
289.08527	0.4
291.06540	0.4
293.08093	1.6
294.05179	0.6
294.08313	0.3
295.06000	6.3
295.09619	6.0
296.06473	0.4
296.09833	0.2
297.03967	1.2
297.07556	5.4
298.07855	0.3
303.06342	0.2
305.08081	5.9
306.08539	0.2
307.05994	4.4
308.06781	4.2
309.03894	3.8
309.07541	8.8
310.04733	0.3
310.07889	0.3
311.05447	1.5
311.08954	0.3
313.07068	3.3
319.06061	0.3
320.06659	0.8
321.07550	6.0
322.08215	0.3
323.05734	1.7
323.09100	32.4
324.09491	1.3
325.06976	0.5
331.05585	0.2
333.07547	6.3
333.11557	0.4
334.07858	0.4
335.05487	1.1
335.09033	0.3
336.06061	0.5
337.07031	4.4
343.06085	0.2
349.07047	24.2
350.07471	1.0
351.08606	8.9
352.08798	0.3
361.07050	10.9
362.07349	0.5
367.08130	6.9
367.12778	0.4
368.08179	0.2
379.08118	26.0
380.08566	1.0
397.09171	34.1
398.09521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80670	0.9
55.05513	5.5
56.05025	3.5
57.03429	1.7
57.07085	5.3
60.04527	100.0
62.59868	0.8
63.82211	1.0
64.53478	0.9
65.49763	0.9
67.05506	10.9
69.03445	1.0
69.07077	4.1
69.22134	8.7
72.04498	1.8
72.15399	0.8
74.06080	8.4
79.05489	5.7
80.05008	2.5
81.03378	1.9
81.07061	10.4
83.04968	1.4
83.08605	3.0
84.04476	0.9
84.08103	0.9
90.05509	1.0
90.37520	0.9
91.05466	4.4
93.07050	5.0
95.04962	1.8
95.08614	7.9
97.10152	2.7
98.20731	1.5
98.98457	1.8
102.05603	0.9
105.07033	2.4
107.08583	3.6
109.10165	5.1
115.97945	0.8
119.08590	1.9
121.10118	1.7
123.11745	1.5
125.09666	1.3
127.11208	1.2
133.10117	1.8
135.11711	1.2
137.13318	1.0
140.01045	2.4
140.31384	0.8
146.04254	0.9
149.13248	1.5
149.57198	0.9
161.13252	0.9
163.14766	0.8
189.11316	0.9
262.25351	2.6
280.26349	7.9
283.06000	1.1
298.27396	35.3
337.77542	1.0
367.61176	0.9
372.72318	1.0
396.24570	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	396.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01861	0.8
55.05272	1.0
55.05512	12.7
55.81673	0.8
56.05037	4.2
56.47979	0.8
57.03444	0.8
57.07066	3.6
58.22008	0.9
60.04528	100.0
67.05183	0.9
67.05511	12.5
68.05009	2.2
68.79801	0.6
69.07074	7.6
69.20208	3.6
69.20637	4.3
70.06574	1.8
71.08633	1.9
72.04517	3.4
74.06076	1.9
78.42038	0.7
79.05491	6.7
80.05002	1.6
81.07055	14.1
82.06572	3.0
83.05006	1.0
83.08617	10.4
84.08157	0.9
85.10182	1.0
90.05551	1.8
91.05470	5.0
93.07054	6.5
93.46954	0.8
94.06586	1.5
95.08613	10.8
96.08160	0.9
97.06519	0.9
97.10173	2.6
98.09713	1.3
105.06995	2.6
107.08575	3.6
108.08118	1.2
109.10160	5.9
110.09649	1.1
112.07589	0.9
112.11223	1.7
116.07069	0.8
119.08620	3.6
121.10124	2.9
122.09683	0.9
123.11706	1.1
124.11169	0.8
133.10097	2.7
135.11682	1.3
140.10699	2.0
142.12280	33.4
185.82983	0.7
186.77380	0.8
202.88231	0.7
207.21115	0.9
241.87892	0.9
245.22668	0.9
250.25317	1.9
262.25372	1.8
263.23633	1.2
267.18161	0.8
280.26328	20.8
291.14941	0.8
298.27417	24.0
378.33664	2.6
396.34726	39.6
397.35004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.7
54.46465	7.9
55.05491	13.0
57.07076	10.4
67.05493	33.1
68.01318	6.7
69.03412	13.7
69.07061	26.6
69.29230	53.9
69.29640	15.5
70.06583	31.4
79.05431	10.0
81.03420	11.2
81.07060	73.8
83.08617	21.5
84.08130	18.2
85.02909	17.6
85.06562	10.4
86.09701	22.0
93.07043	14.8
95.08615	97.3
97.02866	11.2
97.10121	11.0
103.05444	10.0
105.07078	9.3
109.02860	12.4
109.10159	97.5
120.08122	15.0
121.06536	7.6
123.11701	77.8
127.03883	8.1
133.10115	11.5
137.13269	19.5
139.49794	7.6
145.10106	11.0
147.04440	10.7
179.17960	100.0
197.19016	51.8
214.63298	7.8
215.20020	46.8
231.26378	7.6
233.21118	22.7
395.07483	33.7
395.19696	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	395.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01859	2.6
55.05505	8.7
57.03441	3.0
57.07079	100.0
59.04989	2.0
65.03947	3.3
67.05507	52.1
69.07077	15.2
70.26971	1.8
71.04969	2.8
71.49355	3.1
79.05501	27.5
81.07058	52.7
83.04992	2.6
83.08624	10.8
85.06554	2.8
91.05498	11.9
93.07049	35.2
95.04964	5.7
95.08598	13.1
97.06540	8.7
97.10193	2.3
105.07018	6.9
105.78703	1.9
107.08612	19.2
109.06502	2.9
109.10164	12.8
111.08095	5.5
117.07029	5.9
119.08582	5.7
121.10143	13.7
126.90504	1.8
127.11198	39.0
131.08557	4.0
132.97478	2.1
133.10149	4.9
135.08049	3.0
135.11729	4.5
139.11050	1.9
140.10744	2.3
145.12152	2.0
149.09644	1.9
149.13275	28.3
159.11705	10.0
171.11671	2.3
177.12733	4.5
187.14792	1.9
195.13821	10.1
291.06168	2.0
395.27866	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.8
55.01851	8.5
55.56143	2.3
57.03425	5.1
61.02909	6.9
67.05500	3.8
68.99802	2.4
69.03430	34.1
70.06575	7.3
71.04991	4.3
71.49099	2.8
71.49434	2.0
72.08145	4.2
73.02920	11.5
74.06055	5.2
76.28547	1.9
79.00788	1.9
81.03427	33.1
84.04482	2.6
84.08109	2.6
85.02909	100.0
86.09708	5.4
87.00832	39.0
90.05548	2.5
97.02307	3.0
97.02898	49.3
99.04449	18.0
105.01866	67.3
109.02868	32.4
113.05914	2.2
120.08075	6.4
124.07662	2.9
127.03923	85.4
129.01804	4.4
129.10207	3.0
131.07037	3.8
136.07581	5.9
140.07062	4.3
145.04974	51.9
147.02870	2.4
147.04381	2.1
159.02904	18.8
166.08586	2.4
167.07866	2.2
203.34444	2.2
204.70329	2.1
213.03902	5.1
225.23679	2.1
231.04951	30.2
231.09631	3.5
234.11295	4.9
234.13385	5.1
249.06055	9.5
397.07269	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	396.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.3
56.05027	2.3
57.03423	2.1
57.07082	2.6
60.04528	100.0
60.19035	1.0
63.43346	0.8
67.05489	6.8
67.05781	0.8
69.07055	3.1
69.40475	6.9
70.06606	2.0
71.08617	1.4
72.04504	2.7
74.06076	7.8
79.05492	4.0
80.05022	2.1
80.78257	0.9
81.03447	1.2
81.07049	7.7
83.08625	2.9
90.05559	2.7
91.05484	2.9
93.07054	3.9
93.81522	1.1
94.81626	0.9
95.04961	1.0
95.08625	7.6
95.09148	1.1
97.10152	1.4
98.98471	1.8
101.03648	0.8
102.05535	1.4
105.07021	2.5
107.08607	2.1
109.06555	1.4
109.10149	4.1
111.11745	1.1
119.08556	1.9
121.10179	2.6
122.03661	2.2
123.11707	0.9
133.10147	2.4
135.11707	1.8
137.05981	19.2
137.06955	1.7
137.13261	1.5
140.01086	1.6
156.15161	1.1
163.90494	0.9
195.46106	0.8
233.22720	1.0
245.22754	1.3
258.13898	1.0
262.25256	2.9
263.23654	1.8
280.26340	9.0
298.27435	33.3
299.27579	1.2
324.51877	1.0
396.10339	2.2
396.24930	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	395.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	16.5
55.05489	23.3
57.07084	16.2
67.05501	30.7
69.03418	19.5
69.07094	25.0
69.56686	11.2
70.06601	90.2
71.49673	14.1
72.08130	23.9
74.06096	13.3
79.05478	22.4
81.03424	25.2
81.07068	70.8
83.08622	18.7
84.08132	32.2
85.02900	17.9
85.06544	13.2
86.09698	45.4
87.04433	14.5
91.05486	33.8
93.07064	28.7
95.08619	91.1
97.06550	16.2
97.10159	21.9
99.08091	14.7
105.07030	24.7
107.04907	15.8
107.08615	26.5
109.02894	22.4
109.10175	83.6
110.07162	13.9
119.08545	16.0
120.08089	15.0
121.10156	14.4
123.04436	28.3
123.11755	63.5
127.03927	15.8
127.11250	13.1
129.10258	16.1
137.13226	20.3
145.10138	15.2
147.03224	11.2
147.04437	30.7
147.11595	13.1
149.09581	12.9
177.05438	16.7
179.17900	100.0
187.03926	11.6
197.19040	57.4
205.04929	13.3
215.20041	37.6
219.10167	15.3
235.18106	12.2
299.05490	56.1
311.05386	16.4
324.06271	18.9
367.37268	14.2
377.06625	72.4
395.07513	96.4
395.11859	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	394.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69984	0.4
52.88288	0.4
55.05505	0.8
56.05036	1.6
67.05501	0.7
69.07078	2.7
70.06600	3.7
71.04998	0.7
71.49380	0.4
71.49738	0.5
72.08163	7.3
72.74344	0.5
74.06097	0.5
81.03413	0.7
82.05387	0.4
83.06120	5.1
84.04504	1.7
84.08152	4.8
85.02917	1.0
85.04044	0.6
86.09718	4.4
93.04020	0.5
93.04547	4.8
95.06100	4.3
95.83721	0.5
97.13369	0.5
98.06038	0.8
101.03490	2.1
110.07175	100.0
111.07516	0.7
112.08752	1.4
115.08693	2.7
120.08079	2.1
127.08693	5.0
129.10262	3.0
130.04984	0.4
134.09740	0.5
136.07523	0.5
141.10237	0.6
143.08171	35.0
149.84070	0.5
155.08154	0.5
156.07700	41.3
157.08115	0.5
173.09344	1.3
201.09215	0.5
202.44698	0.4
211.14418	8.3
233.11752	0.6
259.70978	0.5
308.41006	0.5
311.05536	1.6
348.20212	2.4
376.19775	2.0
390.21588	0.5
394.20901	30.0
395.07300	0.7
395.21268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.0
57.03411	2.0
57.07076	96.5
58.07414	2.2
59.04994	17.8
64.51485	1.6
67.05496	3.8
69.07069	3.6
69.32687	11.6
69.33095	2.2
71.08630	100.0
72.08942	1.9
73.02917	39.8
79.05495	1.9
81.07049	5.3
82.43805	1.7
83.08620	4.9
85.10183	88.8
86.10471	1.9
89.06033	23.2
91.05465	1.5
93.07062	3.4
95.08606	8.2
96.08947	2.2
97.10159	2.4
98.21512	3.5
98.98467	18.6
99.11725	9.6
105.07017	2.8
107.07036	2.8
107.08575	1.9
108.46866	1.6
109.10146	2.9
121.10135	2.2
133.08612	8.7
141.16402	9.1
151.09662	6.7
155.01050	19.9
156.01402	5.1
159.11653	1.8
169.64932	1.5
177.11194	2.0
179.09213	2.7
195.12260	15.3
199.18867	1.6
199.20520	8.1
349.29547	2.8
376.40417	1.7
377.32559	3.2
394.34921	1.7
395.07861	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.9
57.07079	100.0
59.05002	16.1
67.05511	2.2
69.01778	0.6
69.07075	3.1
71.08633	93.9
71.99520	0.7
79.05502	2.9
81.07076	3.7
83.08633	2.0
85.10185	86.1
87.04484	1.5
89.06035	55.0
91.05486	2.6
93.07058	4.2
95.04956	3.1
95.08629	2.5
97.10151	1.0
98.20747	1.7
98.98431	0.7
99.11738	8.1
103.07581	3.8
105.07040	5.9
107.07092	2.0
107.08551	3.7
109.06512	1.4
109.10164	1.1
111.11739	0.9
114.74189	0.7
115.41724	0.7
117.07004	1.4
119.08585	4.5
121.06496	1.5
121.10145	2.5
123.11687	1.4
130.08655	0.9
130.21490	0.7
131.08574	2.6
133.08612	17.6
133.10138	3.1
141.16370	4.3
142.07771	1.4
143.08533	2.9
145.10129	4.5
147.11682	1.4
150.37648	0.7
151.09674	1.7
155.08522	1.1
156.09351	1.0
157.10110	3.2
159.11641	2.2
161.09642	1.3
169.10156	1.3
171.11687	1.0
173.13297	1.4
177.11221	9.3
187.11136	0.8
194.62375	0.7
195.12289	12.7
199.20561	3.2
209.13226	1.0
221.13210	0.9
239.14844	1.4
243.22986	1.0
393.27481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40235	0.8
55.05503	2.9
57.07079	100.0
59.05006	16.9
64.86641	0.8
67.05500	1.7
69.07056	3.6
69.22084	3.8
69.22514	3.9
71.08635	87.4
79.05499	1.7
81.07043	3.9
83.08635	2.0
85.10187	81.6
87.04470	1.2
89.06036	49.1
91.05495	2.9
92.39400	1.0
93.07037	3.0
95.04946	2.1
95.08615	2.5
97.06509	1.2
99.11743	7.5
103.07587	3.7
105.07031	4.5
107.07060	2.1
107.08591	3.4
119.08571	3.5
121.10146	1.7
123.11784	1.0
129.07050	1.2
131.07040	0.9
131.08554	1.6
133.08611	17.2
133.10107	1.9
135.11755	1.2
138.51289	1.0
141.16357	4.0
143.08536	1.0
145.10147	3.0
147.11623	1.2
157.10152	1.2
159.11667	2.0
161.09694	1.1
169.10059	1.2
171.11694	1.4
172.57274	0.9
175.14844	1.1
177.11234	8.5
195.12288	11.6
196.12831	0.9
199.20569	2.5
239.14824	1.2
393.27521	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	393.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01864	3.2
55.05519	7.2
57.03429	1.8
57.07076	100.0
59.04322	1.3
59.04993	1.4
67.05506	25.1
69.03436	1.8
69.07076	7.4
71.04991	2.0
71.49683	1.9
75.08121	1.4
79.05493	14.0
81.03420	89.6
81.07054	15.0
82.43770	1.5
83.04971	2.6
83.08614	19.3
85.00036	1.4
91.05479	18.0
93.07053	7.3
95.04968	25.4
95.08591	7.2
97.02876	3.4
97.06523	1.4
97.10134	2.0
98.20892	1.3
105.07043	13.9
107.04943	6.4
107.08592	3.4
109.10159	14.8
111.04461	1.4
111.08095	8.1
115.05437	2.2
117.06990	2.1
119.08588	13.5
121.06476	2.3
121.10134	3.8
123.04422	3.7
123.11683	2.7
127.11200	43.7
129.06996	8.8
131.08568	9.3
132.51343	1.3
133.06512	2.7
133.10149	6.4
142.07796	2.6
147.08058	1.9
147.11679	6.3
149.09644	4.6
150.04701	1.4
157.10126	7.6
165.12737	2.5
171.92896	1.4
175.11176	8.7
193.12241	63.9
194.12650	1.8
249.14894	5.5
348.85126	1.4
393.26373	49.5
394.26901	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.1
55.05513	21.0
55.45028	3.2
56.12109	4.1
57.07064	14.0
57.69014	3.2
67.05499	34.0
69.07063	21.2
69.30546	14.9
69.30981	15.9
71.08634	7.8
74.12833	3.9
79.05492	36.9
81.07060	62.2
83.04980	4.7
83.08613	10.9
85.06541	5.0
89.69701	3.9
91.05484	53.2
93.07044	78.1
93.99025	3.3
95.04976	64.9
95.08604	60.3
97.06540	11.5
98.98475	11.0
103.05486	4.8
105.07031	100.0
107.08597	52.7
109.06553	17.0
109.10155	20.8
115.05445	6.2
116.06271	4.8
117.07018	18.7
119.04967	4.6
119.08583	82.9
121.00492	3.5
121.06511	20.5
121.10170	28.7
123.08052	7.0
123.11707	12.8
128.06229	12.0
129.06993	17.2
130.07753	9.7
131.08586	47.4
133.10135	54.6
135.08084	7.2
135.11743	18.9
141.07016	5.1
142.07780	27.3
143.08554	27.7
144.09335	7.3
145.10115	63.3
146.07266	4.0
147.08031	4.9
147.11716	23.3
149.13202	3.8
155.01022	12.8
155.08543	15.0
156.09399	14.6
157.10133	47.3
158.10797	4.6
159.07976	6.7
159.11700	39.8
161.09636	16.0
161.13297	6.7
167.08554	8.4
168.09422	4.1
169.10120	23.0
170.10890	4.5
171.11676	27.5
172.12509	5.2
173.09578	4.0
173.13255	22.9
175.11203	10.4
175.14828	16.3
179.08574	4.4
181.10129	7.9
183.11673	22.2
185.13281	14.8
187.14804	6.8
193.10132	7.8
194.10876	4.5
195.11696	11.1
196.12402	6.7
197.13269	17.7
199.11150	4.1
199.14809	10.0
201.16420	10.7
205.10213	4.8
207.11732	5.9
209.13252	15.2
211.14822	13.0
213.16357	5.8
215.14380	4.1
221.13293	5.8
223.14793	10.4
227.14438	4.9
233.13269	5.1
235.14711	5.4
251.18053	6.1
299.90292	3.6
304.26288	8.2
375.26648	6.2
393.27847	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	393.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75030	1.4
56.96564	1.9
69.03436	2.6
70.06582	6.8
71.04980	2.2
81.03423	2.3
84.08138	2.5
85.42358	1.3
89.84888	1.4
91.05502	2.1
96.22314	1.4
97.06559	2.5
120.04497	1.7
127.03853	1.8
130.06482	2.4
130.54233	1.5
132.95876	2.0
134.83807	1.6
135.04480	1.9
142.85599	1.4
163.03880	2.5
170.09618	3.0
172.31512	1.7
184.07559	8.1
198.09186	9.9
210.09236	2.7
212.07126	1.9
214.08649	3.6
217.06142	4.6
226.08585	7.5
231.14037	2.1
234.98956	1.8
238.05009	2.4
238.08635	3.6
242.08150	3.1
246.09825	3.2
252.06633	2.2
254.08125	19.5
262.36978	1.7
266.08115	42.2
268.09674	2.2
270.07632	9.5
284.09116	3.0
294.07642	44.1
298.07092	4.3
303.09561	1.7
312.08719	13.5
322.07077	12.8
328.08047	4.4
339.09775	3.9
340.08182	100.0
341.08472	2.2
357.10785	20.5
358.09238	7.6
375.11801	10.2
376.10464	2.6
393.17078	7.0
393.21667	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	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92934	0.5
66.53608	0.5
68.05009	2.0
69.15845	1.3
69.16264	4.6
70.06575	1.3
71.49154	0.4
72.08128	0.6
81.48948	0.5
84.08154	0.6
85.02867	0.5
86.09690	1.3
98.31704	0.5
103.03803	0.5
120.08092	1.2
121.43691	0.5
124.05013	0.5
127.03885	0.5
127.81922	0.5
130.04994	0.6
132.51315	0.5
133.40030	0.5
136.07661	0.5
140.03436	1.1
144.08061	0.7
149.04556	1.2
166.07243	0.7
172.06061	0.7
172.11238	0.8
177.16409	1.1
184.11182	0.8
188.09380	0.6
189.06404	1.2
201.06468	2.2
202.07195	2.3
203.08015	1.5
204.08795	7.3
214.07367	0.9
214.12273	1.4
215.07971	2.0
216.08801	100.0
217.09508	3.8
218.10344	5.4
225.06451	11.8
226.07228	3.6
227.08009	1.3
228.08824	0.9
229.09473	1.2
230.10379	10.6
231.14917	1.1
240.08800	55.0
241.09390	2.5
246.09906	6.7
255.09816	0.7
258.09808	2.9
268.08255	5.3
272.11450	5.0
283.09387	1.1
300.10895	55.7
301.11148	1.1
315.11917	0.8
333.13116	2.6
343.11417	2.4
361.12512	5.0
368.82858	0.5
375.14172	5.2
393.15161	23.8
393.19736	1.0
413.23209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1732
Annotation	Sparfloxacin
Peak:m/z	Relative Intensity
55.05497	1.2
58.99582	0.7
61.13138	0.4
67.05493	0.6
70.06568	0.6
71.44849	1.0
73.02925	0.5
76.02217	1.8
77.47947	0.4
82.07401	0.4
83.08585	0.4
84.04486	1.9
84.08133	1.0
85.06514	0.6
86.09725	0.5
95.21523	0.4
116.01682	1.5
130.05009	0.6
133.04982	0.5
140.06987	0.5
142.03102	0.4
142.06863	0.7
143.05280	0.6
143.07162	0.8
144.01112	0.8
155.09006	0.6
162.02200	1.1
170.04538	0.5
179.04889	0.8
195.12172	0.5
230.13892	1.2
231.12039	9.9
231.14201	2.2
231.25044	0.5
245.09514	1.9
246.09828	4.6
315.51773	0.5
393.17307	100.0
394.17780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2543
Annotation	Ile Phe Leu
Peak:m/z	Relative Intensity
55.76023	1.0
67.05502	1.7
69.03433	1.7
69.07061	1.9
70.06602	5.3
71.05665	1.7
71.05981	1.4
72.08134	1.8
79.05463	2.0
81.03426	1.6
82.07409	1.2
84.08147	2.4
85.02915	2.1
86.09708	63.5
91.05473	2.7
93.07029	2.3
96.11851	0.9
103.05465	3.2
109.02942	1.4
110.07151	1.1
120.08109	100.0
121.08478	1.9
136.07533	1.4
144.08022	1.3
149.02298	5.5
150.02690	2.7
173.11559	1.3
197.13028	1.3
199.17973	2.1
233.16487	43.4
245.18614	4.3
261.15997	11.1
279.17099	2.0
347.17731	1.6
392.39661	1.1
393.18909	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	392.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.1
57.07077	100.0
57.62407	1.8
59.05004	32.9
67.05489	1.7
69.07066	4.8
69.55566	7.7
69.55969	4.1
71.08635	74.8
79.05497	2.4
81.07053	5.3
82.07395	2.0
83.08644	1.8
85.10184	51.0
87.04472	21.9
89.06023	4.5
91.05491	3.1
93.07045	4.0
95.08604	4.5
97.10158	3.3
98.21521	3.0
98.78668	1.9
99.11719	9.3
102.12811	3.8
105.07022	4.1
107.08550	3.2
109.10122	2.2
113.13227	4.4
117.09128	9.6
119.08583	3.8
121.10107	2.9
143.08623	2.2
145.10056	2.2
149.02332	2.4
155.17926	6.5
157.10216	2.0
159.11633	1.8
165.09213	1.9
169.10143	3.1
197.28397	1.8
213.22107	5.1
221.15434	3.2
232.39952	2.2
271.26340	3.5
286.79483	2.5
287.20084	1.7
318.16022	1.7
390.20325	2.2
392.34818	3.9
408.43878	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
58.99573	0.5
59.72749	0.4
59.86708	0.5
61.02929	0.5
61.52539	0.4
67.05503	1.7
69.03446	2.3
69.07064	1.4
70.88052	1.0
76.02221	1.0
79.05479	1.5
81.03408	1.6
81.07058	1.0
82.06573	1.6
84.04498	1.0
84.08137	0.8
85.02915	4.3
85.06556	0.7
91.05488	1.3
94.06564	3.2
95.04962	1.7
95.08630	0.7
96.08119	0.5
97.02858	1.6
105.07021	1.0
106.06575	0.5
107.08604	0.5
108.08122	1.2
109.02943	0.7
109.06516	1.0
110.06052	3.8
111.08080	0.8
112.04019	0.5
112.07600	1.0
113.05994	1.2
116.01693	0.6
120.08118	0.8
121.06509	1.0
122.06033	9.2
122.09646	1.1
123.04449	0.6
124.07591	3.3
126.03901	0.5
127.03863	0.7
131.08540	1.1
132.78587	0.5
133.08846	0.5
134.09650	1.7
135.08049	1.4
136.07576	2.9
136.11220	1.5
137.05992	0.6
138.09146	3.9
139.07552	2.0
140.07069	12.8
142.06889	0.7
142.08601	1.0
144.01125	0.6
148.07538	1.2
148.11227	2.3
149.09633	2.7
150.09148	2.2
152.07057	1.1
152.10628	0.5
154.08632	20.5
156.10255	0.8
158.06358	0.5
159.98019	0.5
162.02145	0.6
166.12302	5.1
167.07027	1.0
167.10661	2.3
168.10170	1.4
176.10672	3.8
177.09088	0.9
194.11768	14.2
195.10124	1.1
212.12813	5.9
214.91039	0.5
230.13881	100.0
231.14284	1.1
233.05829	0.6
245.09660	3.3
296.14844	0.7
392.19058	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	392.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05529	1.4
56.05032	1.8
57.03431	9.0
57.07063	1.9
58.99593	11.9
63.34151	0.9
66.29952	0.9
67.05499	5.0
70.90475	0.9
71.28638	2.2
72.22145	1.1
73.01118	1.8
74.00652	2.0
76.02227	35.1
80.95044	1.0
81.05281	0.9
81.07047	3.1
83.04961	2.1
83.06090	2.5
84.04507	27.8
84.07796	0.8
84.08144	8.7
85.06541	18.1
86.00649	2.4
86.99078	4.7
87.02697	1.2
88.02213	2.3
99.02678	6.9
99.05569	1.5
101.04222	1.4
102.05520	1.5
108.08060	1.8
112.03943	4.5
116.01676	17.4
116.05321	2.7
117.03718	54.0
119.12083	1.1
122.06073	1.4
125.04230	1.2
129.06598	5.1
130.04980	10.8
140.07054	1.7
142.03198	2.3
142.06868	15.7
142.08594	7.5
143.05244	6.6
144.01180	8.1
149.02283	1.2
154.08636	2.6
160.07895	18.6
162.02213	27.5
170.02768	1.8
175.32591	1.3
179.04842	14.2
187.05460	1.7
194.11771	1.4
196.09625	1.7
202.05327	2.8
215.04869	1.3
228.06813	1.2
230.13933	12.0
233.05884	4.4
245.09549	100.0
246.07982	3.7
263.10583	3.7
299.10431	2.8
317.11664	9.2
374.14020	1.3
392.14850	2.6
392.19647	1.5
393.17242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
54.89808	2.7
55.05512	16.5
56.72474	2.6
57.01643	2.7
57.07063	12.5
57.40742	2.7
57.45942	2.5
59.04979	4.7
67.05506	20.9
69.07055	12.1
69.65810	17.0
71.08617	9.4
75.30540	2.5
79.05491	28.6
81.07053	46.0
83.08614	6.1
85.06544	3.9
91.05488	37.2
93.07041	38.8
94.46624	2.3
95.04969	45.3
95.08615	23.0
97.06516	5.3
105.07030	82.5
107.04949	3.0
107.08599	25.8
109.06512	8.0
109.10120	10.4
115.05448	6.5
116.06269	3.2
117.07019	14.1
119.08579	60.0
120.55407	2.8
121.06522	8.5
121.10136	24.9
123.08099	6.1
128.06189	9.0
129.06125	3.9
129.06981	18.3
130.07785	9.6
131.08559	25.3
133.06520	3.6
133.10135	22.3
135.08081	7.9
135.11670	4.9
141.06963	3.0
142.07794	15.2
143.08572	31.8
144.09352	6.9
145.10130	44.5
147.08044	8.8
147.11688	11.5
149.02341	58.5
149.09654	5.0
151.07472	2.9
153.07021	3.1
154.07727	5.4
155.08589	17.4
156.09335	13.0
156.59941	2.6
157.10133	36.1
158.10934	5.0
159.08037	8.6
159.11694	19.4
161.09590	8.7
163.03897	3.3
163.11139	4.0
165.06972	6.1
166.07803	3.7
167.08556	11.0
168.09320	11.6
169.10097	23.6
170.10884	5.5
171.11705	20.3
173.09604	5.9
173.13283	14.2
175.11102	5.9
178.07887	3.0
178.40224	3.3
179.08551	15.0
180.09322	8.5
181.10075	13.0
182.10890	7.7
183.11742	22.0
185.09523	4.3
185.13271	10.0
187.11140	6.3
187.14888	4.3
188.97325	3.1
191.08577	4.3
191.14249	4.4
192.09303	7.7
193.10133	18.6
194.10968	8.7
195.11664	19.2
196.12473	5.9
197.13232	16.9
199.11171	6.1
199.14836	4.5
201.12749	5.9
203.08618	3.2
205.10092	4.8
206.10890	9.5
207.11697	17.2
208.12442	6.0
209.13239	18.7
210.10452	2.8
211.11104	4.3
211.14874	14.5
213.12743	6.0
215.14441	3.8
215.18463	2.8
217.10081	6.2
219.11703	11.0
220.12448	6.8
221.13297	15.7
222.14067	4.8
223.11241	4.5
223.14886	14.4
224.15475	3.1
225.12804	3.7
231.11691	6.6
232.12263	3.4
233.13216	8.7
233.15317	3.9
234.14037	7.1
235.14787	9.9
237.16388	4.3
239.14238	3.4
245.13184	4.1
246.14134	4.5
247.14787	6.6
248.15752	3.5
249.16438	11.8
251.14481	4.0
251.17892	5.0
258.13965	3.2
259.14978	4.2
260.15625	4.1
261.16461	5.3
263.17920	8.7
265.16150	4.6
265.19305	4.3
267.17407	6.4
273.16406	7.8
275.17953	9.1
277.19547	5.8
282.19733	6.4
289.19449	5.7
293.18884	6.6
295.20593	4.6
297.18518	5.8
307.20612	4.3
317.13916	4.4
317.18881	4.8
329.32425	4.7
335.20197	6.7
373.25259	21.1
391.18060	6.4
391.26291	100.0
391.36084	16.9
392.26474	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	390.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
57.07076	6.3
58.06605	2.2
70.06591	18.7
70.23059	0.8
70.23454	1.1
71.08638	2.2
72.08157	2.4
81.07050	0.7
84.08135	2.0
85.10178	1.0
86.09715	3.2
88.07628	6.2
97.15365	0.5
98.21420	0.7
102.09167	3.6
109.39015	0.4
114.09111	0.5
132.10199	8.3
146.11758	7.9
149.02408	0.8
236.87282	0.5
240.26953	2.5
240.29085	0.5
255.38771	0.5
266.28482	1.0
284.29483	12.4
328.32095	36.1
329.32532	0.8
372.34549	0.6
390.35779	100.0
391.35995	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	390.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
65.06490	0.8
68.64577	1.0
69.03420	1.8
69.07079	1.5
70.06583	2.1
71.01341	1.6
71.06932	1.0
73.02934	4.4
84.04486	4.2
84.08138	1.6
85.02905	10.1
86.09714	10.7
94.02940	2.5
95.01331	6.2
97.02908	1.7
101.02396	0.9
102.05550	1.4
111.04395	1.2
112.03951	1.2
113.02367	2.9
121.06509	1.7
122.02393	100.0
130.05011	1.2
131.03395	1.8
136.06203	9.7
140.03429	63.8
140.07066	1.8
141.01820	10.5
156.01076	1.3
159.02814	1.3
163.03960	1.4
171.97162	0.9
180.60052	0.9
183.03494	1.1
189.34477	0.9
196.06049	30.6
214.07108	59.3
215.13823	1.7
228.03268	23.5
228.08740	1.0
243.13335	1.8
248.89206	1.0
259.09335	0.9
274.39621	1.0
275.72372	0.9
287.10214	2.1
390.08572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05505	1.3
56.05030	1.5
57.83181	0.6
58.99578	1.6
61.01158	0.9
65.03920	0.7
67.05499	1.3
69.03413	0.8
69.07060	0.7
69.17590	6.0
70.06585	5.3
72.08150	4.0
73.01109	0.7
73.08495	0.6
74.00646	1.5
79.05496	16.1
80.05009	1.4
81.03416	0.9
81.05813	1.4
81.07052	1.1
82.06595	0.8
82.63592	0.6
83.04971	1.7
83.06100	0.8
84.04508	15.5
84.08144	1.6
85.01122	5.4
85.02914	2.0
86.00661	1.9
86.09715	6.4
87.02692	3.0
87.10033	1.3
89.50988	0.6
91.05452	0.6
92.51375	0.5
93.05775	1.9
93.07037	0.8
94.06579	5.1
95.04951	1.1
96.08131	1.0
97.01106	1.5
97.02891	0.9
98.00627	2.1
98.06050	2.7
99.01425	0.9
99.02671	1.3
102.05521	0.9
106.06557	2.2
107.04924	1.0
107.07322	2.2
109.10153	0.7
110.06062	1.4
110.07135	0.6
110.10480	0.8
112.03957	0.9
113.04237	28.3
114.03759	1.1
115.02169	1.0
123.04419	1.1
124.07584	2.1
126.03757	1.6
130.04967	2.0
130.06920	3.5
133.06419	1.2
138.09164	0.8
139.07611	0.7
140.05290	61.8
141.03703	6.7
142.06825	2.1
143.11797	1.5
147.07985	1.1
158.06354	9.9
163.03915	0.6
165.05537	0.7
166.08635	1.1
168.04784	4.5
171.11275	0.9
172.04320	1.2
186.05873	3.1
192.10196	1.2
193.08652	1.1
197.07439	11.1
197.09241	0.7
210.11247	1.7
220.06087	0.8
220.13733	1.8
228.12274	3.2
238.10768	1.0
243.08003	100.0
244.08362	1.3
260.84195	0.6
297.09061	3.5
307.68369	0.6
315.10080	2.1
327.09918	0.7
390.13345	0.8
390.17831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05511	18.5
57.07080	8.3
59.87497	1.3
67.05507	29.6
69.04937	1.2
69.07070	58.5
69.38326	3.9
69.38753	6.6
71.04992	5.0
71.08629	4.7
79.05493	8.9
81.07056	54.4
83.08622	17.9
85.06551	5.9
85.10180	2.8
89.38979	1.4
91.05487	6.0
93.07043	20.7
95.08611	100.0
97.06554	2.9
97.10176	11.0
99.04491	2.0
99.08099	1.6
105.07043	8.7
107.08600	31.8
109.06530	1.3
109.10158	86.9
111.08092	3.1
111.11722	22.4
115.07573	2.1
119.08575	9.1
121.10145	32.5
123.08129	2.0
123.11712	44.0
125.05973	2.4
125.09576	1.9
125.13298	2.1
127.07619	1.5
133.10143	9.7
135.11697	21.6
137.09613	3.5
137.13280	24.3
139.07536	2.8
139.11223	2.1
145.10071	1.4
147.11703	6.4
149.13268	16.8
151.11188	2.5
151.14825	14.4
159.11708	2.1
161.13274	2.4
163.14833	17.6
165.12845	1.4
165.16391	36.2
167.10687	1.9
167.14244	1.5
175.14847	4.6
177.16393	16.8
179.17949	3.2
181.12282	3.1
189.16396	5.1
191.17960	13.7
195.13789	2.2
197.15416	1.8
198.66917	1.3
203.18036	7.4
203.74794	1.3
205.19513	13.9
206.84468	1.4
207.17418	4.0
217.19641	2.7
219.21133	5.7
225.18553	1.5
231.21022	1.9
233.22758	5.6
237.18405	1.9
251.20233	1.3
273.25723	2.5
279.23276	2.0
333.27988	2.5
371.33093	5.8
389.34286	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	389.2169
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
67.05515	15.8
69.03435	7.4
70.74156	16.3
71.04976	12.6
73.61181	6.1
81.07055	20.6
85.02908	27.6
85.06536	9.9
93.07024	14.6
95.04969	96.5
95.08597	7.4
97.02903	9.4
97.06530	13.5
99.04446	26.3
99.08104	13.3
105.07013	10.2
107.08608	25.8
109.06523	6.7
109.10168	58.1
115.07571	9.0
119.08608	11.1
121.10122	12.9
123.11719	12.7
125.18956	6.4
127.03940	6.0
127.07458	8.4
128.46310	5.0
130.05028	5.9
131.08537	11.0
133.10130	100.0
135.08032	5.8
139.11148	10.7
149.13242	6.8
151.11194	21.8
153.09096	48.7
169.12256	12.0
173.13283	29.5
175.79146	5.2
191.14305	53.6
209.15355	99.1
227.16422	10.2
289.10822	6.2
291.06589	5.8
351.45526	6.8
384.30267	6.7
389.17883	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	389.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.7
55.05507	23.3
57.03425	15.9
57.07064	11.6
61.34132	4.3
67.05499	31.9
69.07065	43.8
71.08616	8.3
75.46960	4.8
79.05492	25.8
81.07052	92.9
83.08604	16.5
85.06548	9.4
89.98975	5.2
91.05457	17.0
93.07047	66.0
95.04944	5.7
95.08610	100.0
97.06524	18.7
97.10159	9.4
99.08089	7.9
105.07050	31.4
107.08595	99.0
109.10171	68.0
111.08060	13.8
111.11742	5.9
113.09649	6.6
115.07581	9.0
119.08594	29.8
121.10153	59.5
123.11711	50.0
125.05991	37.5
131.08554	5.0
133.10126	22.5
135.11690	46.2
137.13245	14.0
139.07527	12.0
143.07010	7.1
147.11676	32.6
149.13295	51.9
153.12679	5.5
159.11679	7.2
161.13232	20.4
162.99727	6.3
163.14812	35.8
167.10687	8.3
173.13217	5.0
175.14798	10.1
177.16350	6.3
179.14389	5.8
181.12250	6.2
189.16406	6.9
191.17926	16.7
203.17969	17.3
217.19574	11.5
221.19032	7.2
231.21066	10.7
242.62079	5.4
371.33099	25.5
389.34274	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	389.2168
Annotation	Icariside B5
Peak:m/z	Relative Intensity
52.42122	3.6
55.05507	4.0
56.25972	3.5
65.56468	4.1
70.06583	13.4
70.62933	5.7
70.63267	8.7
72.08161	4.2
82.26469	4.5
84.08140	3.7
85.02894	9.2
86.09692	11.3
87.24043	3.7
90.52002	3.9
91.05459	5.0
95.04951	4.9
97.05927	6.9
97.06528	100.0
107.08570	9.1
109.06518	17.7
109.10062	5.4
119.92357	4.5
123.04459	7.6
124.04807	5.3
133.10127	8.7
149.09531	5.1
149.13287	7.4
151.11139	5.9
165.05505	9.1
169.12250	14.3
177.09114	9.7
178.09502	11.2
191.14294	8.3
209.15337	13.5
227.16435	11.6
231.34001	3.9
236.12894	5.6
237.13069	11.0
374.55075	4.2
389.17886	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	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
50.34600	1.6
70.94592	3.7
77.33059	1.8
85.02895	5.2
85.90582	1.5
93.07042	4.0
99.04481	2.1
99.15440	1.5
107.08602	2.8
108.83391	1.7
112.38020	1.7
121.10145	4.7
121.23971	1.7
124.50983	1.6
149.09616	100.0
165.05467	3.8
191.14365	5.0
195.87392	1.7
207.86499	1.7
209.15317	9.8
227.16422	3.6
228.59238	1.5
249.65915	1.9
311.66736	1.7
351.90475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Renealtin B
Peak:m/z	Relative Intensity
55.01872	5.8
55.05524	1.3
57.03422	1.4
67.05497	2.2
68.99794	1.5
69.03425	1.0
69.07068	1.6
71.04298	2.0
77.03901	0.8
79.05486	1.3
81.03425	1.7
81.07047	1.5
83.82217	1.0
91.05466	2.6
94.52382	0.7
95.04980	4.2
95.08562	1.5
97.06528	3.0
97.31262	0.7
103.05480	1.5
105.03413	1.5
107.04942	2.3
109.02845	4.2
111.04451	0.9
115.05420	1.8
117.07012	1.1
119.04940	8.9
121.06473	1.3
123.04428	100.0
124.04787	0.9
127.03912	2.2
129.62460	1.0
131.04884	2.0
132.01379	0.9
133.06586	1.7
135.04413	2.4
137.02316	1.9
137.05978	2.6
139.03894	28.5
141.09135	1.0
143.04919	2.9
147.04408	32.9
149.05978	2.9
151.03902	48.1
159.04398	1.4
161.05984	12.2
163.03940	6.2
163.07549	1.9
165.05472	21.7
169.04964	1.9
173.05984	15.7
174.91107	0.8
175.07471	1.4
176.04695	3.6
177.05481	17.0
179.07050	4.6
181.04979	7.2
181.08582	3.6
189.05385	4.4
189.09204	1.2
191.07063	5.3
191.10722	1.2
193.04936	2.5
193.08607	47.9
194.08936	1.3
203.10599	1.2
205.08638	3.5
207.06543	11.7
209.08104	3.0
215.06909	0.9
217.04927	0.9
217.08672	1.9
219.10155	19.0
220.12621	0.9
223.09668	1.5
231.10220	1.1
237.11201	7.7
249.07552	0.9
249.11230	2.3
267.06616	1.2
273.07355	1.0
285.07562	4.3
291.08502	4.2
303.08685	8.9
311.09177	2.3
327.12231	4.8
329.10193	13.9
345.13339	27.3
346.13763	1.5
353.13797	4.0
371.14868	14.0
389.16000	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	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28786	4.9
54.90689	4.2
55.03988	5.0
55.05493	14.8
56.05027	6.0
57.03424	13.2
58.99594	8.2
60.04506	14.8
67.05497	18.3
68.06629	4.9
69.03413	15.2
69.07050	13.9
70.06600	46.0
70.74674	12.9
71.04986	8.7
72.08153	70.1
74.05177	5.1
79.05487	20.7
81.03403	5.1
81.07060	56.9
83.04967	7.3
84.04500	13.3
84.08141	20.3
85.02879	13.2
85.06552	11.3
85.15127	5.1
86.09717	54.0
86.99059	7.4
91.05478	14.8
93.07038	42.9
95.04971	16.0
95.08601	23.1
95.59103	4.3
97.06536	18.7
98.97588	18.9
99.04440	8.2
99.08099	12.9
99.97665	4.6
105.07028	42.8
107.08591	81.2
109.06516	17.5
109.10166	22.9
112.08708	5.0
114.05479	8.1
116.01716	26.2
119.08562	18.7
120.08083	5.7
121.10146	49.6
123.04421	13.5
123.08071	15.2
129.10295	10.2
130.05003	8.4
131.08609	23.8
132.10176	16.2
133.06497	59.6
133.10143	55.3
135.08031	16.4
135.11676	11.5
137.05965	38.4
137.09599	13.3
139.11165	9.1
142.05002	15.8
143.11815	32.3
144.01134	8.2
145.10097	8.4
147.04367	4.9
147.11646	15.6
149.09633	23.6
149.13261	41.6
151.11165	19.3
153.09142	9.1
159.11285	11.7
162.02206	21.3
163.14876	29.4
165.09155	42.9
167.10698	5.3
168.82927	4.7
171.11287	12.1
173.13232	47.4
178.09303	5.3
187.10776	9.3
191.14336	100.0
201.12317	7.2
203.10620	6.4
203.13870	6.6
209.15385	57.1
209.17204	9.0
210.11256	15.6
211.11600	18.7
219.13396	34.5
227.16406	55.0
238.10683	6.8
255.01810	5.5
258.14557	7.2
291.06439	23.3
389.13873	19.7
389.17593	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	389.1595
Annotation	Renealtin B
Peak:m/z	Relative Intensity
51.02379	0.6
53.03938	1.1
53.76576	0.5
53.99196	0.5
55.01870	4.1
55.05512	2.5
57.03426	1.5
59.87484	0.5
67.05518	3.1
68.99790	1.0
69.07056	1.8
70.06595	1.0
70.83111	0.8
70.83433	1.0
77.03928	1.2
79.05488	1.8
80.15360	0.5
81.03407	1.7
81.07047	2.4
83.04984	0.6
83.08619	1.7
84.08197	0.5
85.02905	1.1
91.05487	3.6
93.03416	0.5
93.07037	1.2
95.04959	3.1
95.08601	1.5
97.02901	0.6
97.06524	2.9
100.11251	6.7
103.05461	1.2
105.03394	1.4
105.07026	1.3
107.04949	1.7
107.08601	0.5
109.02861	4.4
109.06520	1.0
111.00832	0.5
111.04458	1.8
113.09617	0.6
115.05451	1.6
117.07043	0.6
117.60591	0.5
119.04942	8.7
119.08527	0.5
121.02881	0.7
121.06538	0.9
122.90398	0.6
123.04430	100.0
124.04724	0.7
125.05986	1.0
127.03902	2.0
131.04953	1.3
133.06461	1.3
133.10175	0.6
135.04399	1.9
137.02316	1.9
137.05936	2.1
137.13300	0.7
139.03906	28.2
139.11154	0.6
141.09172	0.8
141.11574	0.6
143.04927	2.7
145.06503	0.7
147.04413	34.4
148.05106	0.9
149.02437	0.6
149.05971	2.4
151.03902	42.7
151.07443	1.4
153.05429	0.7
161.05975	9.6
163.03914	6.4
163.07574	0.9
165.05487	20.1
165.09119	1.0
169.04985	1.9
169.06381	0.7
173.05991	15.1
175.03941	0.8
175.07545	1.3
176.04672	3.0
177.05473	13.8
177.09085	0.7
179.07047	4.6
181.04991	3.5
181.08572	3.0
182.15404	2.0
189.05534	2.6
189.09114	0.7
191.07036	5.4
191.10632	0.7
193.04961	1.9
193.08607	48.4
194.08968	0.8
198.76817	0.6
203.06995	1.1
205.08589	3.8
207.06532	11.9
209.16565	0.7
210.14882	3.1
217.08624	0.9
219.06728	1.1
219.10156	17.2
221.11748	1.0
223.09694	1.9
231.10226	1.6
233.04546	0.8
237.11212	7.0
239.06947	0.8
243.06506	0.6
249.07541	1.3
249.11244	2.4
273.07495	0.9
276.72824	2.0
285.07581	3.1
291.08594	5.0
303.08655	8.3
311.09161	2.1
327.12265	4.1
329.06339	0.7
329.10202	13.4
329.13721	0.7
345.13297	27.4
346.13538	0.7
353.13861	3.2
371.14917	13.4
385.48758	0.6
389.15909	13.1
389.81116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	11.2
61.02923	1.5
69.03426	2.4
70.06578	3.7
70.11902	4.9
72.08138	2.4
77.12050	1.1
79.64411	1.6
81.03416	1.3
84.04475	2.0
84.08147	2.6
85.02916	7.6
85.55766	1.2
86.09711	2.1
89.06033	79.2
95.65193	1.2
97.02900	2.6
103.07542	1.9
107.07047	4.6
123.04423	2.8
127.03936	1.5
133.08600	15.6
137.05806	1.4
145.04987	2.0
151.09663	54.4
153.25139	1.2
182.01036	1.2
205.43335	1.2
209.13844	100.0
210.14261	1.6
267.08499	1.4
346.66583	1.4
389.17700	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	389.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01866	20.2
58.04218	3.7
59.04990	4.3
65.03937	10.1
67.05498	9.3
69.03431	4.3
69.07064	3.1
69.18713	17.5
69.19149	12.0
70.05747	3.1
70.06592	11.8
72.05767	6.6
72.08137	3.4
73.02930	8.7
73.06561	5.2
79.05491	6.1
79.47574	3.8
81.03441	3.5
81.07056	4.9
84.08154	7.7
85.02904	6.1
86.09704	10.4
87.04466	23.1
88.05267	6.5
89.06028	69.1
90.01911	80.0
91.05492	13.5
93.03397	3.0
93.07059	8.6
95.04961	9.3
95.08605	4.1
97.06561	3.7
98.94324	3.1
103.05451	8.3
107.04963	9.3
109.10166	4.1
111.04480	6.6
115.05487	5.5
117.06990	7.0
119.04913	3.6
120.08085	6.5
121.06525	3.9
122.03654	6.2
123.04420	24.9
123.08064	5.5
125.06006	7.4
129.06992	22.2
131.04955	10.9
131.08563	10.5
133.08614	35.8
133.10182	3.7
137.05989	39.2
138.03117	4.7
140.04695	4.5
141.06975	8.7
145.06499	5.6
147.04387	6.4
149.05994	7.0
151.07507	14.6
153.05486	7.4
157.06465	16.0
158.07274	6.7
159.08032	8.7
160.05179	5.0
161.06017	4.6
163.07578	9.7
165.05472	12.7
167.07100	15.3
171.06587	5.9
174.06761	19.2
175.07552	42.2
177.05424	24.5
177.11243	9.4
178.07098	7.3
181.04968	51.5
181.06490	5.2
183.06488	16.1
185.75787	3.0
186.06778	4.8
187.07561	5.1
189.09099	35.5
191.10614	5.1
195.10223	16.0
195.11986	2.6
199.08759	3.8
201.09093	18.3
207.06462	5.0
209.08032	29.2
209.15372	3.6
217.06497	3.9
217.08472	3.8
218.07240	4.6
219.08133	6.6
219.10150	100.0
220.10512	3.1
222.09738	11.2
234.06726	8.4
235.07442	6.7
238.16493	3.6
247.07568	4.3
249.09117	9.9
255.11267	7.6
261.09109	7.3
263.07065	3.5
265.08780	3.0
277.08493	21.8
279.10172	6.0
281.11963	3.7
283.10724	6.7
291.10184	4.4
293.11707	4.3
295.09906	3.6
309.11340	6.5
311.12906	4.0
321.11148	12.1
327.12436	5.5
329.11191	16.5
339.12335	19.5
341.13974	4.6
357.10855	10.1
365.15811	3.4
371.14905	27.1
372.18625	19.3
389.16254	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	388.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
53.50301	0.7
56.96549	0.8
60.04530	4.5
69.03429	1.4
70.06603	4.8
71.40511	0.7
72.08144	2.5
79.05487	0.9
81.04536	0.9
82.97887	0.7
83.06107	1.5
84.04499	2.5
84.08140	6.8
85.02898	2.8
85.06557	0.9
86.09694	3.6
88.03982	1.5
91.05475	3.0
93.07049	5.8
95.04996	1.4
97.02909	1.1
98.66837	0.7
98.97617	1.1
102.05544	1.2
103.05466	4.0
103.07648	0.7
105.04518	0.8
106.05044	4.4
107.04900	1.1
110.06078	1.0
112.62708	0.7
116.07092	1.4
121.06504	100.0
122.07101	1.5
124.81879	0.8
127.03916	0.8
129.10239	2.2
130.04984	0.9
130.08670	0.8
137.06047	1.0
138.05481	4.0
138.09140	27.6
140.08192	1.6
147.07626	0.8
149.02364	1.1
164.07063	0.9
180.10207	0.8
194.04410	0.9
208.09708	1.1
301.78177	0.8
388.16440	1.6
414.80603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
57.03440	4.3
59.04997	3.1
65.81490	0.6
69.03422	2.9
69.82271	4.0
70.06592	3.3
71.01359	4.5
71.04587	0.6
71.04987	2.0
72.08138	1.2
73.02902	1.4
75.04436	0.8
78.03449	7.8
80.05013	4.1
83.06095	1.0
84.04510	3.9
84.08151	3.7
85.02905	18.8
85.17233	0.7
86.09693	2.7
87.04466	6.7
89.06033	1.4
96.04497	2.6
97.02892	9.8
98.21467	1.1
99.00811	3.9
99.04469	2.5
101.02393	0.7
103.03951	1.5
106.02920	32.2
111.04455	1.6
113.02354	3.2
116.07111	0.9
117.05508	0.7
124.03960	100.0
127.03912	1.8
129.10287	1.2
131.03412	2.8
138.05527	1.3
140.07069	0.7
141.01828	2.3
145.04987	1.1
151.03909	1.2
169.96367	0.8
173.04552	1.4
180.06573	24.1
198.07625	77.0
208.06209	0.9
208.09685	1.3
226.10748	2.4
370.11728	0.9
388.12515	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	388.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.86639	0.6
55.01865	1.1
55.05498	2.4
55.91477	0.6
56.05033	2.9
56.72802	0.5
58.99583	4.4
65.03923	0.9
67.05488	1.1
68.05024	10.6
68.49744	0.6
68.71864	0.6
69.03414	2.0
69.07057	1.3
70.06600	2.9
70.15382	2.5
73.01115	1.2
76.02222	3.2
76.03977	0.9
79.05076	1.0
79.05494	11.9
80.05016	5.2
81.07053	55.1
82.06566	4.5
84.04502	47.3
84.08121	1.3
85.02878	1.4
86.06068	5.3
86.09687	1.9
86.55452	0.6
86.99040	3.8
88.02197	1.0
91.05447	1.2
94.06563	11.5
95.08598	0.7
96.04487	3.8
96.08109	2.0
98.00605	1.0
98.06065	3.6
98.09690	4.1
98.91675	0.7
102.05537	1.1
110.06007	1.4
110.09605	0.8
112.07617	0.9
113.04206	0.8
114.03747	1.2
114.05526	32.9
116.01673	14.7
122.06042	4.5
122.09663	1.3
123.04356	0.9
123.08067	0.7
124.07590	2.4
124.11249	4.8
126.03748	3.7
128.07068	1.3
130.04999	25.3
136.11206	4.6
140.07076	6.3
142.03275	14.6
142.04987	42.2
144.01111	3.8
144.04764	2.3
156.06548	4.3
156.08414	1.7
156.10207	2.0
162.02171	3.4
164.10675	6.4
165.05414	1.6
166.12289	2.9
168.06552	16.7
170.02693	1.9
172.04263	1.3
179.04852	1.4
182.11703	0.6
183.05762	0.7
188.03780	1.1
192.10326	0.9
199.03625	0.7
199.05377	1.7
208.04311	0.7
210.11241	100.0
211.11546	1.6
226.05258	0.8
226.10976	1.1
227.04910	0.8
229.06425	1.6
245.05905	7.3
247.07477	2.6
259.11111	4.8
273.05399	0.7
285.12695	1.3
291.06442	6.0
313.12143	6.0
370.14206	0.7
383.67044	0.6
388.15332	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	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08993	1.1
55.05513	6.9
55.06320	1.2
67.47746	1.2
69.14596	11.7
69.14992	3.0
72.09311	1.2
78.22456	1.1
83.08618	4.4
100.11264	55.4
100.88358	1.1
117.07071	1.8
117.13944	1.3
123.04459	1.7
144.08092	100.0
144.13879	1.1
145.08449	1.6
161.10748	11.4
167.07127	1.4
209.16493	11.5
227.17552	58.2
228.18065	1.5
365.07996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1057
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
53.03948	1.8
54.46057	0.8
56.95037	0.9
57.05637	0.9
67.05531	1.0
69.38285	1.0
70.06587	1.7
71.49306	1.0
78.55105	1.0
79.05487	1.3
91.05502	5.2
104.04991	10.5
105.04658	1.1
105.05776	25.2
106.06565	4.1
107.07356	1.7
107.08572	1.2
116.04961	1.0
117.05753	1.9
118.06545	4.9
119.03689	10.4
119.08605	1.1
120.04458	13.0
121.06503	3.9
123.06819	4.2
130.02911	2.3
132.04459	21.9
133.05243	34.7
134.02380	2.7
134.06024	11.7
146.06000	2.7
148.03992	1.7
149.04720	40.5
162.05508	22.6
163.06291	100.0
164.07076	50.9
174.05554	1.5
194.08133	43.8
216.06714	1.3
218.08493	2.0
243.07982	1.6
253.05371	1.3
261.09039	2.6
296.05811	21.4
324.05383	3.5
335.01547	1.0
388.32053	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02384	0.3
52.24782	0.3
53.03936	0.5
54.40951	0.3
55.01862	1.3
59.32812	0.3
65.03944	2.7
66.04698	0.5
67.05496	1.6
69.03427	1.0
70.06586	4.2
70.10118	1.3
72.08132	0.4
78.04678	0.6
79.05503	1.8
79.64982	0.3
81.03401	0.7
81.07049	1.2
82.04185	0.6
84.04549	0.4
84.08144	0.5
85.02910	1.9
86.09715	0.7
87.25661	0.4
91.05472	2.4
93.07045	0.6
93.42401	0.4
94.04198	2.8
95.04985	0.9
95.08565	0.4
97.06522	1.4
101.68285	0.3
102.04743	0.3
103.05473	4.2
105.03445	0.5
105.07016	1.4
106.04162	0.5
107.04977	2.1
107.08578	0.5
108.02104	0.8
109.06512	1.1
109.10182	0.8
110.03635	0.5
111.04456	0.4
115.05456	2.2
117.06994	2.0
118.04162	0.7
118.06885	0.5
119.04941	1.1
119.06180	0.4
119.08594	0.8
121.06503	0.6
122.03646	8.2
123.04441	5.3
123.08107	0.4
124.05237	0.7
125.06009	0.8
127.03933	0.4
130.04153	0.6
131.04919	4.0
132.05717	0.6
133.02863	0.4
133.06503	1.3
134.03706	0.5
135.04431	0.8
135.08060	0.5
137.05977	100.0
138.06328	1.0
139.03934	0.8
142.02596	0.9
143.04921	3.6
145.06491	2.3
147.04410	1.1
147.07988	0.6
148.05164	1.7
149.05969	0.9
151.03908	10.5
151.04993	0.7
153.05470	1.1
155.06058	1.2
160.05209	0.4
161.06000	1.7
163.03947	0.8
163.05339	0.4
163.07516	3.3
164.95201	0.4
165.05464	0.8
167.07039	11.9
171.06544	1.3
172.05093	0.4
173.05988	3.7
175.07529	1.2
176.04654	0.5
177.05511	1.4
179.06960	0.6
180.07861	0.4
181.04956	31.3
189.05591	0.6
191.07031	10.7
192.07701	0.4
193.08559	0.6
195.06502	0.8
203.07028	1.6
205.06961	0.4
205.08542	1.8
207.10181	0.5
217.08656	0.4
233.08067	2.1
235.09631	2.3
237.08932	0.4
247.07423	0.4
249.08936	0.6
255.06488	0.4
276.07654	0.7
277.08517	0.8
282.52936	0.4
291.10287	0.5
292.07233	0.6
295.09564	0.6
299.09207	0.4
309.11072	0.5
325.10590	0.7
327.12360	0.4
337.07132	0.6
341.13708	0.5
343.11856	1.0
351.12479	1.8
355.11652	0.9
357.13342	11.2
369.13107	1.8
387.14401	25.9
388.14783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01871	7.5
57.03442	16.8
59.04995	2.6
61.02928	16.3
69.03435	33.7
69.74791	11.5
70.06594	59.1
71.01350	3.4
71.05008	2.5
72.08138	3.3
73.02512	4.5
73.02921	87.9
80.21889	2.1
81.03413	5.6
84.08126	2.5
85.02909	100.0
87.04463	5.3
91.03935	5.0
96.08110	4.6
97.02896	49.1
98.21523	2.5
99.04465	4.8
103.03983	2.3
109.02887	12.5
115.03935	21.3
123.04428	9.6
127.03932	34.1
133.04971	38.8
136.07539	2.5
145.04970	58.5
147.04411	5.4
149.06023	5.2
152.45050	2.2
163.06018	27.5
167.07051	15.6
175.03955	2.4
177.05479	31.3
199.48927	1.8
205.05168	2.1
223.06102	5.0
234.11345	5.1
237.13342	4.8
238.64920	2.2
241.07037	6.7
259.08148	8.1
329.10165	6.7
386.15854	25.8
387.16373	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
58.06582	1.0
59.05003	7.2
67.05508	0.9
69.03416	1.1
70.06590	100.0
71.04945	0.9
71.06908	1.7
71.50680	0.9
72.08149	3.4
79.05479	1.5
81.07038	2.0
84.04501	1.5
84.08144	3.3
85.02940	2.0
86.09734	4.3
87.04465	97.2
89.06026	13.6
91.05459	2.8
93.07033	1.5
95.04974	1.6
96.08134	1.3
97.02905	1.6
105.07040	1.1
107.04938	1.5
110.07177	0.9
117.05495	6.9
119.04930	3.2
119.08582	1.5
120.08157	1.4
121.06508	2.0
123.04426	14.5
123.08071	1.3
124.07616	1.3
127.03915	1.0
129.10231	2.7
131.04918	1.1
131.07005	0.8
133.08589	5.2
133.10149	1.0
135.04422	1.7
137.05968	2.7
147.04399	8.9
147.11647	1.4
149.05981	3.7
149.09619	0.9
150.09151	1.3
151.07582	1.1
161.05974	1.0
163.11227	1.3
165.05447	4.0
177.05463	39.4
177.11229	2.4
178.05821	1.3
181.12132	0.9
188.07111	1.1
189.05405	1.0
189.12750	2.0
201.05569	0.9
206.15390	5.5
207.06557	1.3
207.13773	4.4
224.16443	8.9
234.11278	1.6
252.66309	0.9
329.10138	10.9
369.21295	3.0
386.15945	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	387.1287
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
51.02386	0.3
53.03935	0.6
53.87003	0.3
54.82440	0.2
55.01868	0.5
55.05511	0.5
66.04742	0.3
67.05499	0.4
69.03416	1.0
70.06593	7.5
70.20865	0.9
71.04999	0.3
71.06924	1.5
72.08160	1.7
73.50653	0.2
74.03675	0.3
78.04710	1.8
79.05480	1.4
81.03403	0.6
81.07059	0.6
83.04970	0.3
84.04498	0.3
84.08126	0.5
85.02892	1.4
86.09721	1.9
89.85393	0.3
91.05482	1.5
93.07036	0.9
95.01338	1.7
95.04965	3.6
95.08586	0.3
96.08115	0.3
97.02887	1.0
103.05455	0.8
105.03423	0.3
105.07014	1.5
106.04167	1.3
107.04940	1.2
109.02842	0.4
111.91924	0.3
115.52898	0.3
116.61089	0.3
118.37018	0.3
119.04944	0.4
121.06504	1.2
122.03631	0.3
123.04427	6.4
124.05287	1.3
127.03930	0.3
133.06485	1.2
133.10083	0.3
134.03584	0.4
135.04395	0.3
137.05914	0.4
141.01833	0.5
145.10045	0.3
147.04445	0.7
147.11670	0.3
147.61880	0.3
148.04631	0.3
149.05991	1.6
149.09528	0.4
150.06316	0.3
151.03912	0.7
151.07536	0.4
152.04700	1.4
153.09091	0.9
161.05956	0.8
165.05498	0.3
166.06114	0.3
167.07034	100.0
168.07393	1.0
177.05435	2.2
178.05777	1.8
179.07101	0.7
181.08553	1.5
185.16452	0.9
189.12840	0.4
193.08589	3.6
204.07466	0.5
207.13838	1.0
210.11249	0.3
211.09659	2.5
217.01292	0.5
218.80472	0.3
225.14828	1.0
234.11105	0.3
235.11522	0.4
325.46823	0.3
330.10651	0.9
387.16342	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	386.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01394	0.6
53.03939	0.8
55.73787	0.6
56.05034	0.6
57.03427	2.0
58.06584	2.2
61.02913	2.5
65.18151	0.6
69.03439	5.0
70.06602	3.0
70.73766	1.7
71.04977	0.7
77.31869	0.6
79.05501	1.5
81.03409	2.1
85.02909	13.0
87.04477	0.9
91.05470	3.1
95.81522	0.6
96.36910	0.6
97.02898	5.3
103.05473	5.2
105.07037	13.4
107.04958	1.7
109.02872	1.4
118.06539	5.1
119.07294	0.8
120.08121	11.7
127.03913	2.1
128.06233	2.2
130.06534	0.7
131.04910	2.2
131.07272	1.3
137.25244	0.6
143.08525	1.9
145.04961	1.4
149.05952	0.6
160.11227	58.9
161.11571	1.6
178.12270	50.2
179.12622	1.5
206.01419	0.7
206.11778	9.6
224.12820	100.0
225.13234	1.8
248.12885	1.2
350.15900	1.2
386.18182	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	385.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.05510	20.7
56.56871	2.9
57.07055	12.8
67.05505	39.6
69.07071	43.5
71.04975	8.6
71.50268	4.0
79.05495	29.0
81.07056	84.9
83.08607	18.2
85.06544	60.2
85.37799	3.0
91.05455	22.6
92.77188	3.3
93.07034	50.4
95.04945	4.1
95.08609	100.0
97.06509	4.0
97.10139	8.9
105.07030	51.5
107.08586	66.6
109.06519	4.0
109.09476	5.5
109.10154	63.5
111.08040	3.1
111.11710	4.1
119.08595	35.0
121.10138	53.8
123.11720	31.1
125.09617	9.4
131.08560	12.8
133.10139	36.1
135.11697	36.7
137.13289	15.9
139.11153	5.3
143.08560	4.1
145.10147	15.0
147.11682	30.4
149.13264	25.4
151.11189	6.4
151.14842	6.0
157.10110	4.5
159.11696	16.6
161.13240	23.2
163.11252	3.5
163.14853	19.1
165.12761	5.2
171.11702	3.5
173.13275	11.1
175.14838	9.9
177.12660	3.8
177.16402	12.1
179.14403	4.9
185.13145	4.3
187.14787	8.6
189.16353	13.1
191.17931	19.9
193.15823	7.0
199.14876	3.5
201.16452	8.6
203.17879	16.5
205.19588	7.5
215.17981	6.3
217.19519	16.6
219.17326	3.6
229.19548	6.5
231.21115	6.4
243.21054	8.8
243.93867	3.5
257.22693	6.1
285.25699	5.1
311.27240	4.4
341.32028	6.0
379.03247	3.4
385.21011	4.1
385.30267	11.4
385.34787	68.3
386.35165	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	385.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.7
55.05509	8.9
57.07056	4.7
67.05506	24.7
69.07068	25.7
69.46347	8.7
71.04994	10.6
78.89877	1.2
79.05489	9.7
81.07058	40.1
83.08634	6.9
85.06546	8.9
91.05476	5.8
93.07056	20.8
95.08607	100.0
97.06525	4.6
97.10157	7.0
105.07000	8.6
107.08595	30.9
109.10158	67.5
111.08082	30.4
111.08795	2.6
111.11703	8.0
119.08573	11.7
121.10148	23.1
123.08074	1.5
123.11716	27.1
131.08604	2.8
133.10132	8.5
135.11690	19.5
137.09570	3.2
137.13263	11.1
145.10127	4.1
147.11696	5.4
149.13268	22.9
151.11182	1.7
151.14868	2.2
159.11708	3.6
161.13240	6.0
163.14819	10.6
165.12764	16.5
167.14314	3.4
173.13318	2.3
175.14798	4.0
177.16371	7.8
179.14323	9.5
179.17949	1.5
181.15897	1.7
187.14798	1.6
189.16347	2.6
191.17914	7.3
193.15895	3.1
201.16257	2.3
203.18002	6.0
205.19514	37.4
217.19582	4.7
219.21117	4.2
221.19055	3.8
231.21132	3.6
233.19048	2.3
261.22205	2.3
275.23740	4.3
276.58890	1.6
287.27344	2.1
367.98749	1.7
385.29675	2.8
385.34647	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	385.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
53.17840	1.5
55.01872	1.8
55.05499	14.8
57.07071	4.1
65.03938	2.5
67.05507	25.3
69.07069	31.3
71.04996	12.5
72.18369	1.6
78.61935	1.6
79.05487	20.3
81.06592	3.1
81.07055	56.1
83.08616	12.8
85.06541	92.3
89.95061	1.5
91.05477	12.6
93.06492	3.0
93.07045	44.7
95.08606	100.0
96.08923	2.1
97.06519	5.1
97.10142	6.6
98.20786	6.5
105.07030	25.1
107.08588	59.6
109.10158	50.5
111.08058	3.7
111.11723	2.3
117.07040	1.9
119.03741	1.8
119.08580	27.9
121.10147	53.3
123.11700	20.8
125.09649	4.5
131.08589	3.4
133.10127	19.4
135.11693	29.9
137.13243	8.2
145.10103	7.0
147.11678	24.6
149.13235	24.7
151.14813	2.5
159.11653	9.4
161.13234	16.2
163.14833	21.0
173.13278	6.1
175.14833	12.7
177.16412	11.1
179.14307	2.6
181.15900	4.3
187.14825	4.0
189.16368	12.5
190.97487	2.0
191.17943	58.4
193.04790	1.6
193.15849	9.3
193.49062	1.6
195.17442	7.3
201.16357	6.6
203.17953	15.8
205.19548	6.9
207.17647	2.1
215.18013	2.6
217.19534	24.8
221.18945	2.1
229.19513	3.8
231.21173	2.8
243.21153	3.6
245.22694	2.0
249.01425	1.8
249.21783	1.6
257.22778	3.9
259.24353	1.6
271.24100	2.1
272.66205	1.7
275.23727	1.6
285.25534	1.9
299.27292	2.0
385.24390	1.7
385.29971	2.3
385.34628	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	385.31
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
51.67604	2.1
55.05514	19.3
56.27416	2.1
57.07055	4.4
67.05508	20.8
69.03428	4.4
69.07071	25.6
69.14354	15.8
69.14774	8.8
71.04967	5.3
79.05489	11.6
81.07059	42.9
82.27747	2.3
83.08599	12.5
85.06524	7.3
91.05475	6.9
93.07038	22.6
95.08611	59.1
97.10155	6.8
100.76135	2.2
105.07030	23.3
107.08602	37.5
109.06483	2.7
109.10161	50.4
111.08060	2.5
111.11728	2.9
119.08585	29.1
121.10144	29.1
123.08032	7.0
123.11713	28.5
131.08554	6.7
133.10126	22.4
135.08047	2.5
135.11694	15.8
137.09619	2.7
137.13211	5.4
145.10120	15.0
147.11691	19.2
149.09605	10.1
149.13248	11.0
151.11131	3.7
159.11687	16.8
161.09595	3.1
161.13287	18.3
163.11183	3.2
163.14845	12.3
171.11688	3.8
173.13301	11.0
175.14804	13.3
177.16360	9.3
179.14291	2.9
179.18034	3.6
180.10260	2.6
185.13278	6.3
187.14803	7.0
189.16327	8.0
190.08611	2.3
191.17938	4.6
193.12227	3.3
199.14767	5.6
201.16316	5.2
203.17924	10.3
207.13864	6.8
209.15373	3.2
213.16321	3.5
215.17929	7.0
217.19537	5.9
219.17303	2.7
223.17006	4.3
227.17972	4.5
229.19513	13.6
241.19373	2.5
243.21030	3.0
293.25778	2.4
301.21072	2.3
349.29144	3.2
351.15387	2.9
367.29950	10.1
385.25909	4.9
385.30930	100.0
386.31183	3.6
392.89648	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	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01863	5.4
57.03436	6.3
57.07080	2.4
58.62685	2.2
61.02926	5.3
69.03088	3.0
69.03429	36.8
69.21622	4.4
69.22034	16.8
70.06597	40.8
71.04980	2.9
73.02900	7.8
81.03418	28.4
84.08136	5.6
85.02908	100.0
86.09706	3.2
87.00832	44.7
87.04461	3.2
97.02891	36.4
99.04446	12.9
101.16188	2.3
105.01863	73.1
105.25096	2.1
107.04979	3.4
109.02860	24.8
117.01863	3.4
119.10670	4.9
120.08079	2.2
123.00740	2.0
127.03918	73.2
137.05960	3.4
145.04965	36.1
147.02878	2.9
153.05428	3.8
159.02898	14.3
174.14281	2.3
177.05486	7.2
213.03870	4.7
231.05011	23.9
233.11848	2.2
249.06042	6.1
300.05704	7.4
327.08600	4.9
330.20157	2.0
353.17111	2.5
384.14426	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	384.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06572	0.2
52.26360	0.2
54.23720	0.2
55.01866	0.7
55.05499	0.4
56.05042	0.3
57.03431	0.4
60.04507	0.3
61.02935	0.3
68.05016	0.3
69.03422	0.8
69.07079	0.5
70.06594	3.4
71.48819	0.2
71.49207	0.3
72.08170	0.3
73.02902	0.4
81.03395	0.4
84.04512	0.4
84.08155	3.1
85.02926	1.6
85.03356	0.3
85.04027	0.7
86.06052	0.4
87.04495	0.4
89.03858	0.3
96.08103	0.4
97.01128	0.3
97.02883	0.8
99.02676	0.7
99.05569	1.1
110.07183	0.4
111.21336	0.2
113.03449	0.3
113.27605	0.2
116.07075	0.3
121.06525	0.3
124.07605	0.2
127.03914	0.4
129.10216	1.3
130.05046	0.5
131.04549	0.4
131.07227	0.3
132.08101	1.1
133.08856	0.5
134.09709	0.4
135.04413	0.5
136.06183	3.2
136.07587	0.5
143.32458	0.3
145.04965	0.4
145.06047	0.2
147.04416	0.4
148.06235	1.6
148.07304	0.3
149.02963	0.4
150.03717	0.3
154.03188	0.4
156.04741	1.2
162.05502	0.6
162.09125	1.6
163.03911	0.5
164.05304	5.4
165.06058	0.4
166.06931	0.5
167.42354	0.2
176.07040	0.4
177.03355	0.7
177.05542	0.3
177.07809	2.1
180.04787	0.8
182.02733	0.4
182.06416	1.4
185.08315	0.6
192.04787	0.6
193.05585	1.4
194.04597	0.3
194.06319	0.7
204.12468	0.4
205.12210	0.5
207.08943	0.6
208.09680	4.6
210.05862	6.7
218.06361	1.2
222.04015	0.6
222.13525	8.6
223.13362	0.5
229.11835	0.3
238.05338	100.0
239.05688	2.3
240.06906	8.9
246.05853	0.4
260.03757	0.3
263.08548	2.7
264.04245	0.3
264.06998	0.9
281.09598	3.0
292.06329	1.1
300.06000	0.3
323.49432	0.2
366.11200	8.0
367.09473	6.7
384.12253	3.6
384.18967	2.2
385.15775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60789	3.6
55.05514	33.3
57.06855	2.3
57.07084	22.0
57.07333	4.1
67.05187	3.4
67.05509	42.8
69.07069	38.4
71.08638	17.8
71.50277	5.1
77.20662	3.5
79.05492	21.8
81.07063	74.3
82.56677	2.6
83.08634	28.2
85.10178	9.5
91.05481	27.1
93.07053	35.9
95.08613	69.2
97.10169	19.3
105.07038	47.1
107.08599	34.3
109.10159	54.3
111.11720	7.2
119.03831	2.9
119.08582	34.7
121.10152	25.0
123.11715	10.5
125.13311	4.1
131.08568	6.1
133.10127	27.9
135.11700	42.9
136.09018	3.0
137.13277	6.1
145.10118	11.6
147.11687	81.8
149.13245	23.0
151.14844	6.2
159.11710	9.5
161.13264	53.4
163.14880	9.6
165.16446	3.0
167.03366	2.8
173.13290	5.3
175.14841	23.5
177.16415	5.5
187.14824	8.2
189.16446	9.9
191.45529	3.0
201.16391	7.4
203.18063	8.4
215.04189	3.4
215.18005	12.3
217.19614	6.6
229.19537	6.8
243.21127	9.0
257.22794	8.6
261.25769	5.4
273.25739	7.5
287.27264	4.5
301.28870	5.8
327.07892	3.7
383.20364	6.5
383.33044	6.1
383.36801	100.0
401.84442	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	384.1151
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01872	1.0
57.03424	2.5
61.02936	0.6
69.03436	1.2
69.07043	0.5
70.06580	1.0
70.79652	0.5
70.80050	1.3
71.01366	0.6
73.02905	1.0
73.83290	0.4
85.02910	1.4
97.02879	0.7
99.00829	0.6
115.03910	0.5
119.03550	0.8
121.05109	1.4
135.06667	1.0
136.06187	17.0
136.11166	0.5
137.04610	1.1
138.05409	0.7
148.06200	5.3
151.03909	1.0
155.05661	0.5
160.06232	0.7
162.07751	36.6
188.05670	13.4
188.07365	0.8
190.09483	0.6
192.05156	15.7
204.08589	0.4
206.06757	6.2
211.95854	0.4
222.04010	2.1
234.06207	12.0
245.77341	0.5
252.07275	100.0
253.07549	1.3
299.99084	0.5
367.13229	0.6
384.11465	20.6
385.11533	0.9
398.58707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	25.9
55.18212	3.6
56.59216	3.5
57.07078	25.0
59.52694	3.8
67.05508	33.2
69.07066	26.9
71.02387	3.8
71.08638	18.3
71.42374	7.9
79.05490	20.1
81.07061	84.3
83.08617	21.5
85.06536	5.7
85.10172	9.6
91.05467	21.9
93.07041	33.9
95.08614	83.0
97.10164	21.2
97.39484	4.0
105.07043	44.6
107.08610	34.2
109.10164	53.4
111.11684	7.5
119.08595	41.2
121.10155	24.1
123.11702	26.4
131.08554	5.8
133.10132	26.2
135.11710	44.7
137.13226	9.0
141.37439	4.0
145.10143	10.2
147.11676	77.0
149.13245	20.3
151.14796	4.8
159.11717	9.3
161.13275	58.4
163.14818	11.5
175.14838	27.2
189.16359	13.6
201.16473	7.5
203.17929	9.0
215.17899	13.7
217.19592	8.0
229.19342	4.0
243.21062	12.5
261.25967	5.5
261.28806	4.4
287.27390	5.0
301.28711	4.7
383.32983	12.6
383.36908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
Annotation	Dendronesterone A
Peak:m/z	Relative Intensity
51.20003	1.6
51.23051	1.3
55.01860	5.3
55.05506	10.2
57.07061	6.0
65.03958	1.6
67.05502	20.9
69.06732	2.2
69.07072	28.9
71.04997	9.7
71.08619	2.9
71.10533	3.6
79.05493	11.0
81.06611	1.7
81.07062	31.8
83.05001	1.8
83.08624	7.3
85.06552	9.1
91.05462	8.6
93.07050	23.2
95.04944	1.7
95.08611	48.6
97.06518	4.9
97.10157	5.2
97.95869	1.4
99.08068	1.9
105.07025	21.3
107.08595	30.9
109.06555	1.7
109.10163	34.2
111.08082	19.1
111.11700	2.7
116.37438	1.6
117.07037	3.6
119.08587	28.0
121.10152	22.3
123.08120	1.8
123.11697	12.2
125.13368	1.7
129.07039	3.3
131.08582	8.6
132.74106	1.5
133.10127	17.5
135.11720	14.3
137.09625	9.3
137.13264	3.8
143.08601	7.2
144.09323	2.3
145.10121	19.2
147.11671	14.7
149.09656	2.0
149.13271	11.7
151.11244	2.1
156.09377	2.4
157.10138	9.7
159.11708	21.1
161.09598	1.8
161.13251	11.6
163.11208	4.8
163.14841	5.8
165.12755	13.6
171.11633	12.0
173.13246	18.2
175.11327	1.9
175.14835	8.5
177.12752	3.8
177.16402	4.9
179.14336	5.6
185.13269	10.6
187.14841	8.6
189.12766	2.1
189.16400	7.5
191.14468	1.9
193.15881	2.9
197.13196	3.1
199.14810	10.2
201.16341	8.1
203.18040	5.5
205.15909	5.6
213.16400	5.6
215.17964	3.6
217.15906	4.7
217.19485	3.9
227.17979	3.0
229.19501	3.3
231.17409	4.8
233.18944	2.9
245.19046	4.3
255.21207	2.1
257.19080	4.1
259.20392	2.1
269.22733	2.0
271.20627	7.9
272.21335	2.3
273.22076	4.2
283.24194	2.4
285.25790	3.8
327.26749	2.3
365.32086	2.8
383.33121	100.0
384.33569	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	383.3309
Annotation	Dendronesterone A
Peak:m/z	Relative Intensity
50.44883	1.5
55.01864	2.8
55.05512	14.2
57.07076	9.8
67.05181	2.6
67.05511	34.1
69.03460	2.0
69.07068	33.1
69.51746	13.1
71.04977	3.9
71.08636	2.9
74.63057	1.8
79.05478	9.7
81.06591	3.1
81.07055	47.9
83.08624	12.4
85.06536	3.6
91.05493	8.6
93.07047	27.0
95.08611	89.1
97.06550	2.6
97.10159	9.1
100.90942	1.9
105.07024	12.2
107.08595	42.5
109.10162	87.8
111.08075	12.6
111.11712	14.0
117.06993	2.4
119.08591	19.9
121.10149	39.2
123.08070	7.8
123.11704	28.3
125.13290	3.5
131.08565	5.7
133.10152	15.3
135.08095	6.1
135.11700	24.7
137.09642	11.7
137.13245	19.8
139.11139	3.8
143.08553	2.9
145.10097	8.0
147.11707	12.8
149.09563	4.3
149.13264	23.6
151.11186	8.1
151.14807	5.8
153.12709	2.8
157.10123	4.1
159.11696	11.4
161.13240	5.8
163.11194	6.1
163.14798	10.3
165.12781	14.0
165.16429	3.8
171.11702	4.3
173.13290	6.7
175.11150	2.3
175.14812	5.0
177.12747	34.9
177.16412	6.4
179.14348	10.9
185.13266	4.5
187.14883	5.2
189.16393	6.4
191.14305	6.7
191.17946	5.7
199.14850	5.2
201.16396	5.9
203.18010	4.6
205.15912	6.3
205.19469	15.1
213.16393	3.0
215.18028	2.6
217.15944	2.7
217.19582	6.0
219.17422	3.4
219.21178	3.0
227.17877	3.5
229.19557	2.9
231.17505	4.1
245.19089	3.5
247.20647	3.0
255.21004	3.0
259.20483	2.8
269.22620	3.1
273.22128	9.0
287.23648	4.0
289.25333	2.6
313.25266	2.7
319.04868	2.1
365.32083	6.9
383.33087	100.0
384.33423	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03958	3.9
55.01872	5.6
55.05516	20.3
56.57882	1.9
57.03424	3.2
57.07069	9.7
59.04990	4.7
62.57378	1.8
65.03948	4.8
67.05506	47.2
69.03434	15.2
69.07069	19.4
69.51385	3.5
69.51796	10.6
71.04996	9.9
79.05494	37.9
81.07057	45.2
83.04977	3.9
83.08630	7.2
85.06542	11.3
91.05487	47.3
93.07046	100.0
95.04964	22.1
95.08611	58.2
96.66669	1.9
97.06538	16.8
98.21515	2.5
103.05450	2.3
105.04493	3.6
105.07034	74.3
107.04965	2.4
107.08596	53.0
109.06501	19.5
109.10170	39.9
111.08101	14.2
115.05465	3.4
116.06208	2.5
117.06998	13.8
119.08580	55.0
119.09380	4.3
120.09424	2.8
121.06521	16.7
121.10147	54.1
123.08072	31.9
123.11710	8.0
125.06018	2.5
125.09621	3.7
128.06245	6.3
129.07019	11.5
130.07809	3.4
131.08565	27.4
133.06483	8.9
133.10124	38.9
135.08055	20.4
135.11674	14.0
137.05972	3.2
137.09605	15.5
137.13261	3.0
141.07005	5.2
142.07780	16.5
143.08559	23.9
144.09300	3.7
145.10123	42.1
147.08040	20.4
147.11690	21.9
149.09622	26.7
149.13272	6.3
151.07552	44.2
151.11179	3.9
155.08556	8.0
156.09366	7.5
157.10132	37.2
159.08086	7.1
159.11700	26.3
160.08908	2.6
161.09613	18.0
161.13255	14.4
163.11180	9.0
163.14879	5.1
165.09111	42.5
165.12756	6.5
169.10143	6.8
170.10884	5.0
171.11668	7.7
173.09647	6.5
173.13219	15.0
175.11192	17.5
175.14812	10.7
177.09061	11.8
177.12706	3.9
178.09966	4.4
179.14325	4.5
183.11699	7.1
185.09624	4.7
185.13245	20.1
187.11249	5.7
187.14838	6.5
189.12784	10.9
189.16411	3.3
191.10643	3.8
191.14330	5.0
193.15947	2.2
195.11711	4.1
197.13319	5.2
199.11195	4.2
199.14824	6.1
201.12759	10.6
201.16441	6.3
203.10751	3.3
203.14317	29.2
203.18071	3.1
207.13844	12.1
209.13359	3.8
209.15327	3.5
213.12735	5.0
213.16408	5.2
215.10599	2.7
215.14302	5.8
215.18060	3.9
217.12323	3.1
217.19466	3.3
219.13829	5.7
221.13448	3.2
221.15364	65.6
225.12749	3.0
225.16399	2.6
227.14267	4.8
227.18033	3.9
229.12093	2.5
229.15883	2.8
231.13832	3.7
233.15398	3.7
234.16174	13.6
237.14720	3.4
243.13800	3.8
281.19034	4.0
286.19266	4.0
287.20044	8.3
289.72766	2.3
299.05640	2.8
299.20135	3.6
303.19623	7.0
365.24823	12.8
383.25677	54.6
383.33295	35.1
384.25607	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
53.11076	3.1
53.32621	3.3
55.01866	7.1
55.05514	17.6
57.03440	5.3
57.07072	19.2
59.05000	9.6
67.05512	39.2
69.03429	18.6
69.07062	15.1
71.04977	5.0
71.23219	4.5
73.02921	3.3
79.05502	28.8
81.07058	53.0
83.04964	7.0
83.08619	7.3
85.06541	6.1
91.05479	44.5
93.07050	100.0
95.04976	28.7
95.08611	44.6
97.06528	10.3
105.07045	72.0
105.24461	3.6
107.08597	45.7
109.06509	15.7
109.10157	31.8
111.08076	10.8
114.62925	3.4
117.07032	10.8
119.08588	62.1
121.06516	16.4
121.10141	47.1
123.08061	29.7
123.11723	5.5
128.06203	5.8
129.06995	8.9
130.07822	4.9
131.08582	29.1
133.06500	9.8
133.10115	26.4
135.08055	18.9
135.11699	12.1
137.05984	5.3
137.09654	14.4
137.13272	4.6
142.07780	16.8
143.08548	19.2
145.10138	34.4
146.07193	4.0
147.08034	22.1
147.11742	18.0
149.09624	22.0
149.13254	6.1
151.07555	35.5
155.08606	4.8
156.09346	4.4
157.10138	33.2
159.08051	5.6
159.11751	21.9
161.09605	12.5
161.13293	12.9
163.07510	3.7
163.11185	10.2
163.14774	7.0
165.09126	41.1
169.10092	6.0
171.11746	16.1
173.09752	7.3
173.13283	12.0
175.11229	15.9
175.14766	7.8
177.09108	13.0
177.12627	4.4
183.11710	6.2
185.13271	16.0
187.11151	7.4
187.14799	7.7
189.12755	10.3
193.12416	4.1
197.13269	8.4
199.11171	4.2
199.14804	7.9
200.11945	3.9
201.12750	8.1
201.16438	5.2
203.14325	27.2
207.13824	13.6
208.58984	3.6
209.13312	4.3
213.12794	8.2
215.14328	7.4
215.17949	5.3
219.13811	4.2
221.13364	2.3
221.15369	65.7
225.16405	4.5
227.14360	4.6
227.18057	4.0
233.15376	8.5
234.16226	19.3
237.14859	4.5
265.53436	3.2
269.12198	3.6
286.19244	5.3
287.20059	6.5
299.05600	5.3
299.20081	3.9
303.19482	4.0
362.04178	3.9
365.24631	11.5
365.28537	5.4
383.25671	59.3
383.29260	6.3
383.33380	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20466	0.3
56.51583	0.3
56.96566	5.4
69.94082	0.8
69.94479	0.8
71.95280	2.1
71.95615	0.4
77.43159	0.3
87.44641	0.3
98.97583	100.0
99.97900	0.5
115.97327	0.3
116.98621	38.0
134.99660	6.3
135.00671	0.5
140.00215	0.5
198.60214	0.4
216.98811	1.3
234.99739	1.0
240.98703	5.3
258.99771	68.0
259.99945	1.9
260.99960	0.4
261.03000	0.9
277.00812	63.0
278.00922	2.1
282.01517	0.8
282.99991	2.4
284.99881	0.6
299.97897	0.4
300.02417	1.0
301.01089	1.6
302.01031	0.5
317.98721	0.6
359.00677	0.5
359.99969	0.6
383.00037	1.7
401.01117	4.8
402.01135	0.7
403.84830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.6
61.02927	3.5
69.03442	9.8
69.72186	3.5
69.72598	6.8
73.02924	2.4
74.02435	2.9
81.03420	5.8
85.02433	2.9
85.02909	32.9
87.87678	1.4
96.68580	1.4
97.02898	8.7
103.03959	1.7
109.02849	4.1
118.06548	5.3
127.03936	4.8
130.06535	66.8
132.04463	20.6
132.08099	3.9
134.06039	1.9
142.06485	2.8
143.07309	2.3
144.06966	2.4
144.08076	25.4
145.05162	2.2
145.07603	20.2
146.06036	10.3
148.07555	5.5
154.06509	5.3
156.08089	4.7
157.07619	62.9
157.08902	3.5
158.06015	48.1
158.08072	2.5
159.09157	7.4
160.07600	3.8
169.07610	8.4
170.05998	4.5
171.09186	8.4
172.07559	10.7
174.05452	8.3
175.08679	57.4
176.07091	2.2
180.08141	2.1
181.07611	6.1
182.08365	3.1
183.09174	16.4
184.07541	2.9
185.07109	14.6
186.05507	3.4
186.07889	3.8
187.08636	3.2
188.07069	2.2
190.08498	1.9
197.07027	2.2
198.09148	1.7
199.08708	12.8
200.07120	15.8
201.10156	2.5
203.08156	100.0
204.06549	5.1
204.08328	2.4
209.07132	9.2
215.08234	3.5
216.08965	3.9
217.09727	29.6
221.09218	46.2
227.08244	12.3
228.06586	2.6
231.07727	5.3
243.07611	3.0
245.09229	25.7
257.09265	2.2
263.07510	2.1
263.10284	39.3
275.10425	2.8
283.10596	1.8
299.10318	5.5
301.11835	2.1
302.10202	2.0
329.11230	3.8
347.12460	10.9
348.10757	11.5
365.13477	26.1
366.13754	1.8
383.09875	1.9
383.14407	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	382.1709
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.21110	1.9
57.07076	3.0
67.05499	3.1
70.02956	2.3
70.06603	2.9
71.29228	3.1
72.04517	5.9
85.02900	6.2
85.06554	6.0
85.65238	1.9
86.09703	4.2
90.05554	59.4
95.04963	2.6
98.02426	11.8
103.07563	4.6
104.25998	2.1
105.07018	4.3
110.07137	2.1
113.06042	2.3
116.03452	8.1
124.07584	7.7
134.07233	2.2
142.08635	6.5
146.74303	2.0
184.09714	11.9
202.10765	18.9
220.11800	100.0
223.65224	2.0
249.16063	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.01880	2.1
55.05507	12.8
56.25458	1.9
57.03450	2.6
57.07072	14.2
59.04986	2.8
67.05505	25.4
69.07064	18.2
69.16212	5.2
69.16608	19.2
70.06602	10.6
70.06909	2.7
71.08634	15.0
79.05487	17.2
81.06596	4.0
81.07056	70.3
83.08595	7.6
85.06544	21.7
85.10159	7.6
89.65072	2.0
91.05478	20.0
93.07037	53.9
95.04947	3.2
95.08604	59.5
97.06526	3.6
97.10179	5.6
105.07024	46.5
107.08594	44.5
109.06544	3.6
109.10157	31.2
111.08062	5.8
115.08691	17.7
117.06998	5.4
119.08585	46.5
121.06446	2.8
121.10146	29.0
123.11718	14.2
131.08569	18.1
133.10123	30.1
135.11685	19.0
137.13254	2.9
142.07773	3.7
143.08540	9.0
144.09267	3.0
145.10114	28.3
147.11693	27.0
149.13237	17.5
155.08525	2.5
157.10139	17.0
159.11699	38.3
161.13243	18.9
163.14796	10.2
169.10095	4.5
170.11003	2.8
171.11693	14.9
173.13252	18.3
175.14807	7.6
177.12758	2.9
177.16257	2.8
183.11661	7.2
185.13211	12.1
187.14867	12.2
189.16397	8.4
191.17911	2.1
197.13287	7.5
199.14761	12.1
201.16356	13.5
203.17891	5.4
211.14899	3.5
213.16380	11.1
215.17938	6.8
225.16379	3.4
227.17976	7.8
229.19464	4.7
239.17975	6.1
241.19545	8.7
243.21030	4.0
253.19470	6.3
255.21094	6.7
257.19128	2.8
267.21005	4.1
269.22675	7.5
281.22427	6.3
283.24252	8.0
307.24179	3.2
363.30331	29.5
381.26822	4.9
381.31491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05510	10.7
57.07079	15.7
67.05173	2.0
67.05508	20.6
69.07067	21.1
70.68813	3.7
71.08620	12.9
75.53176	1.1
79.05492	11.5
81.07056	49.7
83.08614	14.4
85.10171	5.5
85.63728	1.3
91.05486	18.0
92.79876	1.2
93.07040	17.3
95.05006	2.3
95.08609	36.0
97.10184	12.1
105.07034	33.3
107.08591	17.2
109.09481	1.5
109.10159	17.8
111.11731	6.8
117.06999	16.7
119.08584	13.5
121.10142	8.8
123.11722	7.9
125.13273	2.6
128.06271	1.9
129.06992	3.3
131.08566	14.7
133.10132	28.2
135.11674	6.8
137.13255	5.6
143.08562	5.9
144.09357	1.8
145.10127	43.0
147.11684	25.7
149.13239	5.6
157.10127	12.1
159.11697	37.4
161.13271	8.2
163.14807	3.0
171.11681	5.6
173.13210	11.0
175.14828	3.0
177.16389	2.4
185.13254	5.7
187.14853	5.8
189.16393	1.6
199.14848	6.7
201.16356	2.8
207.20885	1.4
207.53233	1.2
213.16432	5.8
215.18004	2.6
227.17934	3.2
233.22733	2.5
241.19398	5.9
255.21117	4.8
257.22760	1.6
261.25772	1.7
275.27350	1.7
283.24203	1.6
301.29083	2.0
353.84976	1.5
381.35199	100.0
382.35672	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	381.3152
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
53.03931	2.5
55.01861	1.7
55.05505	14.0
57.07068	3.9
67.05511	25.6
69.07071	17.9
69.41665	16.5
71.05013	3.1
77.05462	2.0
79.05499	22.8
81.07061	90.0
83.08619	6.2
85.06549	23.7
91.05479	19.3
93.07049	49.8
95.04960	3.9
95.08611	63.4
97.06516	2.5
97.10152	3.7
105.04482	2.7
105.06403	3.3
105.07043	45.3
107.07883	3.0
107.08601	49.7
109.06505	2.4
109.10165	31.0
109.27229	2.0
111.08081	6.1
117.07017	4.0
119.08589	49.2
119.46964	1.9
121.10146	32.9
123.11687	12.2
129.07039	3.3
131.08551	19.1
133.10129	28.3
135.11700	17.0
141.06906	2.0
143.08531	9.8
144.09349	3.1
145.10130	29.6
147.11681	24.4
149.13278	22.6
151.11235	2.3
155.08577	3.8
156.09354	3.5
157.10126	16.8
159.11691	34.2
161.13243	21.5
163.11174	3.2
163.14841	5.4
169.10132	4.2
171.11707	15.1
173.13275	19.8
175.14822	11.2
177.12805	2.0
177.16408	2.8
183.11719	5.1
185.13322	11.5
187.14844	15.5
189.16405	7.9
191.17917	2.4
197.13310	5.4
199.14774	10.2
201.16386	11.1
203.17870	5.1
211.14822	5.1
213.16441	11.3
215.18025	7.9
225.16368	3.4
227.17947	10.3
229.19479	3.0
239.17961	3.6
241.19571	6.2
243.20996	3.4
253.19514	6.7
255.21121	6.1
257.22684	3.1
267.21167	5.0
269.22729	6.1
281.22647	5.9
283.24164	5.8
283.47040	2.1
285.22336	2.8
293.22568	2.0
307.24268	2.6
323.27432	2.5
363.30362	27.0
381.31549	100.0
382.31723	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	25.6
56.96805	5.4
62.16095	4.3
64.61176	4.5
65.97160	4.3
69.03442	5.6
71.48992	6.0
71.49374	5.4
78.70926	4.8
84.08129	5.0
84.96015	10.5
85.02874	5.9
86.97613	5.0
98.97561	12.5
101.00866	34.1
102.94682	4.5
113.00883	5.8
116.98611	5.8
117.03989	6.9
119.01938	28.5
124.99058	11.6
127.02429	8.1
130.08647	7.3
132.95796	9.9
132.98009	5.7
133.03496	9.2
140.77562	4.6
142.01118	7.3
143.00157	21.0
143.01891	11.5
145.03481	29.1
147.01343	5.7
150.99109	7.6
155.01920	7.4
157.03459	18.6
161.01234	8.7
167.01814	5.5
169.03438	10.2
173.02948	10.0
175.04521	13.5
185.02936	16.5
186.99060	4.9
187.04515	15.0
189.02405	9.8
203.04005	13.8
205.06895	7.1
206.98141	8.3
213.02483	5.9
215.03886	5.3
224.99219	7.6
231.03500	10.9
247.02969	12.2
248.99091	5.6
253.07704	10.4
269.05606	5.5
289.03940	7.8
294.17035	5.2
299.99710	6.1
301.04285	7.7
363.03925	17.9
381.00211	5.6
381.07950	100.0
381.12598	5.3
382.08286	8.2
400.63461	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06799	5.2
57.07077	100.0
59.04980	9.9
69.25200	21.0
69.25607	6.0
71.08245	4.4
71.08627	81.0
76.15939	2.5
83.65779	3.0
85.10181	57.7
88.18434	2.5
89.06052	19.2
99.11738	14.7
103.07598	3.3
111.07953	3.1
113.13262	3.9
116.88799	3.2
126.94640	2.8
133.08586	19.7
151.09665	11.1
155.17950	7.6
173.55927	3.0
213.22105	12.7
363.30988	9.0
383.84970	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	381.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01865	0.7
55.93526	4.2
56.94315	4.2
60.04512	2.9
60.05680	0.8
65.03938	2.1
69.03418	2.9
69.07063	0.9
70.06595	4.2
70.95854	2.6
71.49109	0.8
72.08150	3.6
72.93789	12.4
74.95358	1.2
79.05487	0.8
81.03415	3.6
81.07055	0.8
84.04480	1.1
84.08155	4.5
85.02887	2.1
86.09692	3.0
86.95304	0.8
88.96896	1.1
90.94834	6.6
91.05484	18.2
93.07063	0.7
95.04981	1.2
95.08593	0.7
97.02901	6.4
97.72813	0.7
102.94815	1.9
103.05469	0.7
105.07011	0.7
108.95869	0.7
109.02847	0.9
110.07148	1.2
112.08765	0.9
116.07141	0.9
116.96365	1.5
119.04945	41.7
120.08152	1.0
121.02853	0.8
123.04362	0.8
124.96886	0.9
128.96350	14.3
129.06949	0.9
129.10260	4.0
130.97884	1.0
131.04915	2.9
132.95850	9.3
136.07611	0.8
138.04181	0.8
140.96330	1.6
144.08098	1.3
144.95837	8.5
146.97412	3.6
147.04414	100.0
148.04797	2.3
148.98911	0.9
150.96906	2.9
152.96329	6.9
158.97412	16.1
159.04388	0.8
161.05992	1.0
162.96858	4.4
163.03929	1.0
166.97949	1.1
168.95781	4.4
170.97404	4.5
171.04381	1.1
171.14983	0.9
174.98418	0.9
175.03951	2.8
175.11920	1.6
176.98483	4.7
178.97943	1.5
186.96872	4.9
188.98517	0.9
189.05453	4.0
190.96346	0.9
190.97978	2.4
192.99478	1.5
194.97420	1.0
198.96935	2.8
202.97873	4.8
204.95882	1.8
204.97928	1.6
206.97415	3.0
207.06491	5.0
216.97949	7.8
218.97388	13.8
220.95352	1.0
220.98975	8.0
222.96959	1.8
224.98466	2.0
234.96873	1.8
234.98987	23.3
235.01282	1.4
236.98492	10.5
244.98955	1.2
246.96893	2.7
252.97791	1.0
253.00174	1.8
256.99042	1.1
258.00720	1.3
259.00537	1.6
259.97589	1.3
260.09229	1.6
260.98438	21.7
261.01285	1.1
264.97980	4.4
271.00558	8.0
272.98459	10.0
278.99521	9.3
286.99976	8.5
290.99390	3.3
302.99445	3.6
305.01089	5.9
314.99542	6.7
321.00467	4.4
323.02252	1.2
333.00549	9.2
337.03787	0.9
345.00555	8.3
363.01627	33.9
380.26602	1.6
381.02652	17.5
381.10770	3.5
381.17224	3.2
399.03796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42723	1.1
55.05510	1.9
57.07078	57.7
59.04760	1.3
59.05005	16.6
67.05502	3.0
69.07072	2.2
70.09342	5.1
71.08633	100.0
72.50132	1.0
79.05498	2.3
81.07061	3.6
83.08589	1.9
85.10182	56.9
89.06031	49.0
90.56395	1.0
93.07056	2.2
95.08591	3.8
103.07562	3.5
105.07020	2.5
107.07074	1.5
107.08594	3.3
109.06543	1.2
109.10134	1.9
117.06944	1.1
119.08569	2.0
121.10175	1.6
127.14823	3.1
133.08609	17.1
133.10124	1.4
151.09669	2.0
159.11691	1.8
171.11720	1.2
177.11270	9.7
177.12759	1.6
185.18959	2.8
195.12268	9.3
239.14932	2.9
253.16319	1.2
271.86615	1.1
283.05850	2.9
303.55026	1.0
305.50519	1.1
313.84686	1.0
347.25632	2.3
358.62936	1.3
379.08072	6.0
379.29947	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	380.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	1.1
57.03435	5.1
57.52637	0.9
59.04998	1.1
60.04525	4.0
61.02929	2.3
67.05498	1.3
69.03429	12.1
69.07058	2.0
70.06593	6.5
71.01378	1.5
71.05003	3.7
71.49539	1.3
72.08162	2.1
73.02917	1.8
74.88404	0.8
79.05495	1.9
81.03422	2.8
81.07074	0.9
84.08141	1.2
84.76472	0.8
86.09699	8.1
87.10027	0.8
93.07079	0.9
99.04470	3.6
106.06570	0.9
110.07176	1.3
116.07070	1.0
117.05535	1.4
120.08085	7.0
123.04459	1.0
127.07567	0.8
129.04541	2.1
131.06105	2.2
131.48630	0.9
133.07626	8.6
135.11758	1.0
136.07565	1.0
137.06027	0.9
142.10301	0.9
148.03964	1.3
155.10701	0.8
157.03976	10.3
159.05577	3.6
170.06351	0.8
175.05064	6.6
177.06616	17.8
183.92398	0.9
185.04283	2.9
186.04643	1.8
189.06627	3.9
194.18483	0.8
200.10899	1.1
203.04613	3.4
215.08232	1.5
219.44051	0.9
221.05580	100.0
221.37772	0.9
222.06023	1.6
233.16513	2.1
245.09380	0.9
246.05118	30.8
261.16092	0.9
293.11328	6.5
301.08362	1.0
319.09265	0.8
337.10321	31.5
352.09100	2.2
362.09854	2.3
362.25415	1.1
380.10971	50.8
380.21777	1.4
380.26611	3.0
381.11328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1213
Annotation	METHYL ROBUSTONE
Peak:m/z	Relative Intensity
52.28739	0.5
55.32368	0.4
56.76361	0.6
69.36732	1.9
69.37152	2.0
85.08946	0.6
98.21489	0.8
217.06717	0.6
343.90579	0.6
377.10635	0.6
379.12109	100.0
380.12433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1575
Annotation	Abafungin
Peak:m/z	Relative Intensity
63.45174	0.3
71.27349	0.9
74.06051	1.0
85.59308	0.4
87.93142	0.4
90.82671	0.4
149.68674	0.3
217.10498	10.4
228.03212	0.4
233.15033	0.9
277.60446	0.4
379.15741	100.0
380.16141	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	379.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
61.02906	1.5
67.05486	0.7
69.03445	3.9
69.58368	2.9
69.58780	1.6
70.34564	0.7
72.67406	0.6
73.02919	1.0
81.03399	2.0
85.02450	0.7
85.02903	7.8
86.09690	1.2
96.13530	0.7
97.02888	3.6
99.04425	0.8
109.02893	1.0
127.03875	1.1
128.06235	1.2
129.07047	0.9
130.06523	5.9
143.07291	2.8
143.08455	1.3
144.08073	12.7
145.04939	1.1
146.09573	0.8
155.07271	2.8
156.08087	3.0
157.08876	4.3
158.05951	1.0
158.09653	18.8
167.07367	3.2
168.08075	0.8
170.09656	32.3
172.11221	29.2
172.12732	1.5
182.09650	12.2
185.08372	1.1
186.09100	0.8
188.10762	2.6
199.12311	2.0
200.10713	100.0
201.11028	2.5
217.13361	48.8
230.94695	0.7
362.16000	5.3
379.18661	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	378.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74493	7.6
53.50928	5.6
55.05508	8.0
57.06841	6.6
57.07081	95.4
59.05006	43.2
69.07056	10.2
69.56193	40.0
71.08637	100.0
73.02914	12.6
74.09695	17.9
79.05436	7.4
81.07080	8.7
85.10191	77.9
87.04466	27.5
88.11264	28.5
93.07026	7.8
98.20823	7.5
117.09100	19.2
133.08577	9.6
135.61749	5.4
137.68188	5.7
141.16330	6.3
141.24539	6.4
145.25058	7.1
157.86484	6.7
172.87387	6.8
199.20653	7.8
257.24893	9.5
378.33499	30.7
379.08142	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	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00518	0.7
60.32905	0.6
61.29587	0.7
62.66267	0.7
69.28446	2.1
69.28861	4.3
70.06600	4.5
72.08139	2.7
84.04496	0.7
84.08128	1.6
86.09700	3.5
107.49584	0.7
110.89285	0.7
120.08084	0.9
124.26987	0.8
125.06994	0.9
136.65063	0.7
185.04247	5.7
217.04735	6.0
273.29971	0.7
379.10013	100.0
380.10394	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	378.2391
Annotation	Val Leu Phe
Peak:m/z	Relative Intensity
55.05315	0.5
55.05520	6.5
56.05038	0.9
57.05818	0.6
58.37777	0.5
69.36010	4.9
69.36349	0.5
70.06598	2.0
72.08156	81.4
86.09708	100.0
88.99658	0.5
91.05451	0.6
93.13354	0.6
98.20814	1.2
100.99208	0.5
103.05458	1.9
107.77858	0.5
110.07150	0.8
120.08107	38.6
133.46426	0.6
148.34772	0.5
166.08658	7.3
185.16495	61.1
202.16608	0.6
213.15988	23.7
219.13042	0.6
219.14935	8.1
225.07457	0.9
247.14357	2.0
265.15488	4.4
279.17139	3.0
282.69455	0.5
283.05902	1.1
361.07120	1.2
379.07895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26965	4.0
55.05508	8.5
57.07077	100.0
58.45962	4.9
59.05005	53.8
69.07063	6.9
69.23200	4.6
71.08632	96.5
71.50429	7.9
73.02894	9.5
83.08626	6.9
85.10183	87.3
87.04465	24.8
93.06970	4.4
93.54988	5.2
95.08604	8.0
99.11721	11.1
117.09145	11.2
138.55504	4.6
151.11865	4.2
167.96457	5.1
186.77290	4.2
199.20569	13.6
202.44464	4.2
257.24747	6.4
274.18069	5.0
311.34604	5.5
385.78018	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	377.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
55.01878	3.0
55.05492	1.1
57.03437	6.2
61.02919	1.6
67.05543	0.6
68.99772	1.0
69.03082	1.0
69.03429	10.1
70.06573	1.6
71.04989	1.5
72.08121	0.8
73.02913	1.8
81.03420	10.1
83.01319	0.6
83.05006	2.9
84.08128	0.9
85.02907	21.1
85.06564	2.8
86.09698	2.5
87.00832	8.3
87.04464	0.9
87.97595	0.6
88.03967	0.8
91.03977	0.7
97.02892	7.6
98.97589	0.7
99.04459	3.9
101.06023	7.2
105.01884	5.5
109.02879	9.8
109.64971	0.6
111.04449	2.5
114.54518	0.5
117.01923	0.9
120.08095	0.6
125.05965	0.6
127.03926	14.9
129.05484	100.0
130.05789	1.1
141.60959	0.5
145.04947	5.6
147.02902	1.1
159.02873	5.7
180.60289	0.6
191.51508	0.6
209.07970	0.6
213.03944	0.7
231.05090	1.6
320.17224	1.6
343.73563	0.6
377.14227	1.1
392.16748	0.6
393.12881	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	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03936	1.6
56.65647	0.8
56.73207	0.8
57.03196	0.9
57.03445	9.5
61.02912	3.1
69.03436	14.1
69.99858	3.8
71.01359	3.3
71.04984	3.4
73.02927	1.9
75.04478	2.0
80.11155	0.7
81.03424	4.2
84.08125	0.9
86.19615	0.8
91.37165	0.8
99.04467	6.3
111.55692	0.7
117.05587	0.9
127.55247	0.7
145.07549	2.0
159.09273	1.2
170.07135	1.2
172.08711	34.7
190.09831	1.5
198.06645	7.7
200.08144	5.6
214.09740	1.5
215.14883	1.1
216.07692	16.1
243.08795	74.3
244.07082	1.5
316.12726	1.6
320.99524	0.9
359.13586	3.4
377.14569	100.0
378.14798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60458	0.1
56.24895	0.1
70.06586	0.8
70.62806	0.4
74.95726	0.1
86.09676	0.4
91.05452	0.5
110.07154	0.3
115.05402	0.1
119.04934	1.0
120.08096	0.4
123.04435	1.7
142.06499	0.7
147.04391	2.5
167.07268	1.0
168.08089	2.0
170.06012	0.6
172.99196	0.1
178.06505	0.4
178.94766	0.2
180.08080	0.5
182.05875	0.1
195.06827	0.2
196.07579	14.8
197.08330	1.9
208.07436	0.2
211.06168	0.3
212.07062	9.7
217.13676	0.3
224.07056	100.0
225.07724	5.7
226.08475	0.3
236.07130	1.1
238.08530	0.4
252.06436	0.2
253.07338	0.2
254.08119	3.3
258.84012	0.1
305.29785	0.2
346.44247	0.2
358.10657	0.5
376.11798	28.0
377.12045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	2.2
85.02871	2.4
89.03908	4.3
97.02859	1.8
98.97559	1.5
107.04899	2.0
111.96130	1.4
116.07028	1.4
117.03351	5.3
127.03880	1.6
135.04411	12.8
137.02081	1.6
139.28175	1.4
143.01982	1.7
145.02800	4.8
160.37369	1.4
163.03896	41.2
179.03116	2.9
185.02106	26.6
191.17665	1.2
197.04193	12.5
197.10716	1.4
215.05266	52.7
217.27338	1.5
252.99461	1.5
268.09607	2.1
317.85263	1.5
333.11560	2.8
359.07407	11.6
377.08310	100.0
378.08615	1.6
391.98001	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	376.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02769	0.4
69.03413	0.4
70.06209	0.5
70.06593	8.1
71.49734	0.4
71.50118	0.6
72.08135	0.8
78.04738	0.4
84.08121	1.2
85.02894	0.4
86.09705	3.6
87.67853	0.4
91.05460	2.3
96.42326	0.5
104.05349	0.7
105.07030	0.6
109.06497	1.8
110.07164	0.8
119.04951	5.1
120.08093	0.8
123.04430	8.0
123.08068	1.9
124.11166	0.9
129.60252	0.4
136.07597	0.5
142.06517	0.9
147.04411	8.4
165.05501	0.8
167.07280	1.2
168.08115	3.2
169.13365	0.9
170.05975	1.4
171.81630	0.4
180.08081	1.7
182.05946	1.0
183.14905	0.9
184.07687	0.5
196.07573	19.6
196.13358	1.2
197.08350	9.4
208.07588	1.8
211.06282	0.8
211.14333	0.6
212.07065	47.9
213.07352	0.9
214.14436	0.7
217.13499	1.3
220.07452	0.4
224.07063	92.4
225.07811	22.8
226.08539	2.1
235.06236	0.8
236.07053	6.2
238.08559	3.3
245.13005	0.6
252.06598	0.7
253.07451	0.6
254.08115	18.4
255.08359	0.4
263.13925	0.9
279.17072	0.5
331.59933	0.4
340.09531	0.6
358.10773	2.4
376.11798	100.0
377.11887	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	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01644	1.0
55.01878	12.5
55.05522	4.4
57.03432	1.3
57.07059	1.3
67.05489	4.3
69.03418	2.5
69.07072	5.0
71.04974	1.6
71.49303	1.4
79.05495	4.2
81.07059	11.6
83.04999	1.4
83.08611	2.7
85.06547	22.1
91.05476	2.9
93.07050	8.2
95.08607	13.9
97.06502	3.1
97.10175	1.3
97.33524	0.8
99.04504	0.9
99.08080	2.7
101.06005	1.5
101.99387	0.9
105.07032	5.6
107.08610	8.0
109.10168	7.4
111.08088	100.0
113.09641	0.9
119.08583	7.7
121.10133	7.7
123.08083	2.1
123.11705	2.9
125.09649	6.7
131.08589	2.6
133.10141	4.7
135.08067	1.5
135.11662	4.2
137.09602	3.5
138.09166	1.0
139.11180	7.3
145.10127	4.8
146.05991	1.2
147.11691	4.3
149.09583	1.4
149.13243	2.2
149.54099	1.3
151.11122	1.3
157.10168	1.2
158.06075	1.0
159.11700	3.0
161.09550	1.2
161.13312	4.5
161.14436	1.1
163.11246	0.9
165.12744	2.6
171.11646	2.0
173.13248	3.5
175.14789	2.9
177.12817	1.5
179.14287	2.6
184.07649	1.8
185.13277	1.7
187.14867	2.0
191.14253	2.5
193.15872	1.8
199.14732	2.6
201.16428	2.5
203.14392	1.1
205.15915	1.1
215.17996	1.6
219.17467	2.2
224.07059	1.7
226.12163	4.2
227.17836	1.1
229.19650	1.1
241.19479	5.0
254.11836	2.6
259.20627	3.7
272.12830	7.2
308.79907	0.9
315.26804	1.6
331.26083	1.3
333.27826	4.1
339.23288	1.2
339.26901	1.6
357.27893	4.0
375.29013	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	375.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01875	6.4
55.05503	10.3
57.03428	8.0
57.07065	4.6
58.45761	3.0
64.13900	2.7
67.05507	16.3
68.99812	4.2
69.03432	30.0
69.07052	8.0
69.39654	21.7
70.06580	7.8
71.04977	5.5
72.08161	4.0
73.02902	2.6
79.05489	11.5
81.03417	24.2
81.07058	19.8
83.04969	9.3
83.08611	3.8
84.08131	5.4
85.02905	24.4
85.06540	7.1
86.09712	9.6
89.55832	2.5
91.05470	15.0
93.07026	15.8
95.04961	9.6
95.08599	19.9
97.02878	10.9
97.06512	3.4
97.62183	2.6
99.04453	7.2
99.08102	14.2
103.03927	5.1
103.05458	3.2
105.07018	8.5
107.04971	4.8
107.08579	12.1
109.02854	24.6
109.06509	4.8
109.10165	29.9
111.04423	10.1
111.08116	3.0
112.76338	2.5
115.05389	3.4
117.07013	3.2
119.04948	10.7
119.08579	7.5
120.08100	5.3
121.10143	6.3
123.04428	100.0
127.03918	25.3
127.07579	2.7
127.11133	12.1
127.62332	2.6
131.04926	4.4
131.08553	5.2
133.06474	5.9
133.10097	5.8
135.04387	2.8
135.07983	2.8
137.02376	2.7
137.05949	8.4
139.03886	21.4
140.07167	2.7
143.04932	3.1
143.08513	5.0
144.07967	2.4
145.10109	4.5
147.04414	31.0
147.11719	5.5
149.13232	5.0
151.03908	28.8
153.05482	5.3
159.08028	3.9
159.11687	5.9
161.05939	13.1
163.03879	15.5
163.07520	4.7
165.05475	20.2
165.08997	6.2
167.07033	14.6
169.04953	4.4
173.06033	8.5
175.03780	3.4
175.07446	4.1
175.14807	2.8
177.05441	3.2
177.09074	5.2
177.12527	2.8
179.07022	44.9
188.03435	5.8
191.07042	4.4
193.05043	3.3
193.08517	3.3
196.07555	4.2
205.08594	40.3
207.06541	10.9
212.07074	7.5
213.14822	13.1
217.08630	3.1
223.09630	8.3
224.07072	33.9
225.07732	4.2
235.09660	5.0
259.10751	3.0
272.12933	5.0
285.07520	8.1
285.22189	2.8
291.08554	3.8
303.08606	5.8
303.23227	5.7
321.24402	2.8
331.11740	17.3
339.12439	5.6
343.09116	3.0
343.12830	3.9
357.13260	18.2
375.09833	4.6
375.14374	17.5
375.19510	5.2
376.11713	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	375.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.05506	10.4
56.05030	7.5
57.03445	5.6
67.05502	14.5
69.03435	30.5
69.07056	18.8
70.06586	17.6
71.04984	13.1
71.49954	4.0
72.08167	3.4
79.05499	9.3
81.03410	23.5
81.07039	26.5
83.08611	9.4
84.08145	10.5
85.02914	25.3
86.09694	22.7
91.05492	11.6
93.07059	24.1
95.08604	36.9
97.02906	8.1
97.06506	4.2
97.10185	5.8
99.04453	8.6
99.08063	15.7
103.03934	4.1
104.05305	6.0
105.07028	6.6
107.05031	4.3
107.08582	35.4
108.08907	4.4
109.02898	11.8
109.10165	14.4
110.07177	3.9
111.04449	5.5
111.08087	11.2
119.04988	6.3
119.08618	6.4
120.02883	3.2
120.08117	13.9
121.10155	50.4
123.04456	9.3
123.08123	3.8
124.11192	5.0
125.09628	5.0
127.03927	22.8
129.10239	7.0
130.06535	56.2
132.08078	3.2
133.10194	4.5
135.11699	14.8
137.05966	5.4
137.13202	3.5
144.08086	34.6
144.09137	4.2
146.06026	8.0
147.04425	14.2
149.13185	3.3
153.12726	8.0
154.06508	9.9
156.08089	8.0
163.03831	5.5
167.07120	7.6
172.11569	6.9
173.43320	3.6
177.09100	5.7
177.14838	4.9
177.16389	94.3
182.06039	5.2
188.07101	10.5
194.09749	4.0
195.17459	19.0
196.07620	19.4
196.09157	4.0
197.08383	8.0
200.07066	17.4
205.09802	3.4
212.07047	42.6
213.14857	10.8
213.18451	22.1
217.09685	5.8
217.13693	11.7
224.07076	82.0
224.09317	4.0
225.07796	16.5
236.07156	5.3
236.10643	3.8
238.08672	5.5
254.08069	12.4
322.17993	5.0
340.19046	49.2
357.21768	9.9
358.20236	14.8
375.10965	3.2
375.23398	3.8
376.11810	100.0
384.50781	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	375.2378
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03943	5.1
55.01865	5.4
55.05512	25.4
57.03432	9.1
57.07071	3.9
59.04998	3.6
61.02925	11.4
63.45014	1.6
65.03979	1.5
67.05506	12.2
69.03432	38.4
69.07069	48.5
69.17397	12.4
69.17798	2.8
71.04996	10.8
71.08622	1.8
73.02911	5.1
79.05505	7.4
81.03418	12.1
81.07060	28.9
83.01376	1.7
83.04980	10.6
83.08611	12.9
85.02905	87.2
85.06549	24.5
87.04466	6.9
91.03968	4.4
91.05482	3.2
93.07042	16.0
95.08608	50.9
97.02898	26.7
97.06536	6.3
97.10187	11.7
98.21515	4.1
99.04459	7.9
99.08102	22.1
105.07031	3.1
107.08590	35.0
109.02893	9.9
109.10152	20.6
111.08084	3.8
111.11713	10.3
113.09612	7.5
119.08614	3.2
121.10145	43.3
123.04441	4.8
123.11681	11.4
123.47846	1.7
125.09650	9.5
125.13316	1.6
127.03902	23.6
135.11703	22.4
137.13255	22.8
139.11183	10.2
145.04974	13.6
147.11710	1.9
149.13260	7.6
151.14822	4.5
153.12749	13.8
177.16391	100.0
178.16760	2.1
179.07056	2.9
189.16277	1.6
195.17461	45.7
196.07542	2.1
207.17473	3.3
213.18506	53.7
224.07108	12.5
316.91556	1.7
375.23779	6.5
376.11899	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	375.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01867	0.8
55.05494	0.6
57.03439	0.7
57.54963	0.7
65.03658	0.7
65.03947	6.5
67.05504	1.5
69.03443	3.8
69.07074	0.9
69.56339	2.2
69.56741	1.8
70.06586	2.7
71.05002	0.9
73.02905	0.9
79.05486	0.9
81.03402	3.0
81.07055	1.0
83.04970	0.8
83.77435	0.5
84.08116	1.2
85.02911	3.2
85.06552	1.0
86.09692	2.3
91.05481	1.6
92.05010	3.8
93.07043	1.7
94.06570	1.7
95.05002	0.7
95.07333	1.8
95.08613	0.9
96.08154	4.0
97.02902	1.6
99.04465	1.4
105.07024	1.0
107.04953	0.7
108.08123	6.0
109.02868	3.2
110.07210	0.7
110.09671	5.4
111.04409	1.0
116.04974	2.1
120.04463	7.6
120.08112	5.0
122.06047	3.2
123.04398	1.2
124.07560	1.2
127.03915	3.2
136.07596	4.1
137.06035	0.8
138.09154	5.7
144.04459	3.7
145.05003	0.8
146.05984	0.8
147.04419	1.1
148.03935	100.0
151.03937	0.9
154.08556	1.4
162.05498	3.5
162.10953	0.6
163.03975	0.7
166.05002	14.5
166.08643	13.9
168.08090	1.1
172.03932	15.8
190.04988	7.5
196.07629	4.7
204.06570	26.7
212.07076	4.3
212.09030	0.7
213.04044	0.8
222.07593	1.0
224.07068	37.9
225.07669	1.4
227.11800	2.3
231.04880	0.8
254.08105	1.0
255.11290	12.3
273.12302	9.9
283.10776	11.3
293.61151	0.7
301.11832	77.1
302.12277	2.1
319.12885	2.9
325.11655	1.2
343.12863	11.2
357.09424	0.7
357.13977	1.0
369.74377	0.7
375.19769	2.4
376.11819	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	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66461	0.2
52.06567	0.2
53.03936	1.1
55.01870	0.8
56.96553	0.5
57.03430	0.5
61.02916	0.3
68.99766	0.3
69.03436	2.6
70.06593	0.6
71.04984	0.3
71.48894	0.4
72.08142	0.5
73.02904	0.9
79.05498	0.5
81.03418	3.2
84.08147	0.6
85.02905	4.6
86.09693	1.1
86.12173	0.3
87.00827	2.1
89.03920	0.8
91.03923	0.3
97.02901	1.8
99.04456	0.9
102.74683	0.2
105.01860	0.8
107.08592	0.5
109.02876	2.7
111.04495	0.3
117.01774	0.2
117.03393	0.6
121.10109	0.3
121.30040	0.3
123.83022	0.2
125.05975	0.4
127.03917	100.0
128.04266	0.6
129.01808	0.4
129.10240	0.5
135.04414	1.1
137.02411	0.3
143.00166	0.3
145.02875	0.5
145.05000	0.8
147.02831	0.3
149.09619	0.3
158.44135	0.3
159.02911	1.1
163.03922	3.3
164.04233	0.9
177.09099	0.3
195.10182	0.8
213.11246	0.6
231.05078	0.6
237.00764	0.6
313.17059	0.4
375.06961	0.6
375.16083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1435
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03937	3.1
55.01861	4.6
55.05497	6.5
57.03432	3.1
65.03935	3.2
67.05513	8.1
68.99767	2.6
69.03433	15.4
69.07060	3.2
70.06576	6.2
71.04967	2.8
71.49927	2.9
79.05490	5.8
81.03422	11.9
81.07061	9.3
83.04980	9.5
83.08627	2.2
84.08109	3.3
85.02913	15.8
85.06509	4.3
86.09698	5.2
91.05476	10.1
93.07021	6.0
94.25871	1.7
95.04939	4.2
95.08604	4.9
97.02871	5.2
99.04446	5.4
99.08084	4.3
103.03931	2.7
103.05472	2.2
105.03419	2.5
105.07026	7.3
107.04955	3.5
107.08588	6.0
107.65842	1.7
108.07185	1.5
109.02889	11.7
109.06519	2.2
109.10144	7.4
110.31490	1.8
111.04434	5.4
117.06975	1.9
117.51324	1.9
119.04935	9.8
119.08582	2.8
120.08109	1.7
121.06513	1.7
121.10126	2.2
123.04430	100.0
123.08021	2.0
123.11695	1.6
124.04748	1.7
124.07568	6.3
125.02322	2.3
127.03904	12.9
127.07528	4.2
127.11237	2.3
133.06470	2.2
133.10126	2.6
135.04419	2.9
135.08069	2.5
135.11693	2.1
137.02318	2.4
137.05984	4.7
137.09566	2.0
139.03894	22.8
141.01787	1.8
143.04927	3.3
147.03395	2.6
147.04427	31.2
151.03905	20.7
151.07657	1.9
153.05458	3.7
161.05954	11.2
163.03909	9.2
163.07529	3.3
165.05458	19.7
165.09123	4.5
167.07082	10.3
169.04950	1.7
173.06013	13.6
176.04659	4.6
177.05496	3.4
179.07027	77.1
181.04999	2.3
189.05461	3.9
191.07076	7.0
193.08601	2.1
195.13817	2.2
196.07597	1.7
203.07013	2.4
205.08591	30.2
207.06525	8.6
209.08130	3.2
212.07045	2.5
213.04010	1.9
213.14804	6.0
217.08467	2.6
223.09592	5.4
224.07059	20.2
235.09639	4.0
285.07520	4.6
285.11050	1.7
291.08652	3.4
297.11417	2.1
303.23175	2.2
313.10730	4.3
319.46323	2.0
331.11755	20.5
339.12201	7.7
343.09232	2.2
357.09543	1.8
357.13455	17.5
375.14230	13.0
375.19293	3.2
376.11700	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	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26180	0.4
53.03949	1.5
55.01875	1.2
55.05503	0.2
56.96561	0.7
57.03427	0.4
61.02925	0.6
67.05508	0.4
68.99788	0.3
69.03078	0.4
69.03430	3.6
69.68595	0.2
69.96014	1.0
70.06583	1.2
71.01355	0.3
71.04994	0.8
72.08157	1.4
73.02921	0.9
73.11097	0.2
75.82380	0.2
76.56684	0.2
77.30272	0.3
79.05495	0.5
81.03430	3.4
81.07069	0.2
83.04987	0.4
84.04504	0.4
84.08145	1.1
85.02902	5.6
86.09712	2.3
87.00835	2.4
89.03924	0.4
91.03952	0.3
91.05487	0.6
97.02881	1.7
98.97566	0.4
99.04456	1.1
103.05589	0.3
105.01878	1.0
105.07030	0.4
107.08602	1.0
109.02876	3.4
117.01877	0.6
117.03348	0.7
121.06527	0.3
121.10143	0.3
123.04440	0.5
123.07978	0.3
124.99140	0.4
127.03918	100.0
128.04207	0.6
129.10274	0.4
133.10129	0.2
135.04416	1.7
135.08060	0.4
137.06038	0.3
143.00140	0.5
144.95789	0.3
145.02838	0.9
145.04959	1.1
149.09627	1.1
149.76857	0.3
159.02936	1.5
163.03906	4.3
164.04240	1.0
177.09120	0.4
195.10150	2.0
213.11180	1.5
218.99643	0.4
231.05067	0.6
237.00687	0.7
237.02965	0.4
238.01016	0.6
246.12234	0.3
266.08191	0.3
286.22925	0.3
340.07886	0.2
373.62381	0.3
375.06723	1.3
375.11938	0.5
375.16571	1.2
375.23328	0.3
395.06470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Leu Glu Leu
Peak:m/z	Relative Intensity
53.48125	0.7
54.93637	0.7
56.05033	1.6
62.53951	0.6
64.20247	0.8
67.05522	0.7
69.03429	1.5
69.07061	1.4
70.06593	2.9
72.08153	1.0
79.61669	0.8
80.22336	0.7
81.03421	0.8
82.06545	0.9
84.04504	15.0
84.08129	1.6
85.02913	3.0
86.09707	100.0
87.10034	1.9
90.28040	0.7
91.05481	4.6
102.05547	10.8
105.01871	1.7
105.07011	0.7
109.02887	0.9
109.06560	1.1
110.07163	0.7
120.08132	0.8
127.03962	1.6
129.10258	1.8
132.09222	1.1
132.10222	9.4
139.08714	2.4
144.08133	0.9
144.15182	0.7
148.40642	0.8
152.10690	1.1
157.13487	0.7
158.13864	0.8
170.11839	1.2
177.09042	0.9
181.09796	0.9
188.07001	1.0
194.11842	1.8
197.12840	8.7
197.14287	0.8
215.13916	35.1
216.10266	1.3
225.12399	0.7
229.21967	0.8
231.11247	0.9
243.13402	37.8
261.14587	2.4
270.00876	0.7
287.06183	0.7
301.91641	0.7
306.59253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05506	0.8
56.05026	1.0
58.06588	0.9
60.04515	0.5
67.05473	1.0
68.99800	0.6
69.03417	1.5
69.07069	7.1
69.27142	1.8
69.27570	2.5
70.06594	7.0
71.06906	0.6
72.08151	2.1
79.05499	1.4
81.03425	0.7
81.07060	1.2
83.05013	0.7
84.04002	1.0
84.04502	14.0
84.08150	2.7
85.02908	0.9
86.09703	100.0
86.80309	0.5
87.10037	1.9
88.03973	0.7
91.05499	1.0
93.07035	0.8
95.04974	0.6
95.08609	0.7
97.06514	0.5
102.05544	8.3
103.05469	1.5
105.07006	1.2
107.04932	2.7
107.08587	0.9
109.02864	1.1
109.06520	1.4
109.10110	0.6
110.07188	1.1
116.07085	1.0
119.04929	1.4
120.08085	1.8
121.06520	1.8
123.04427	15.0
127.03867	1.0
127.52513	0.4
129.10251	2.2
130.06456	0.9
131.06891	0.7
131.08569	0.6
132.10193	8.7
135.04416	4.2
136.07559	1.4
137.06003	0.6
138.09134	1.6
139.85378	0.5
141.06606	0.9
144.08105	1.1
147.04417	1.7
149.05962	5.4
149.09619	0.7
150.09167	2.9
152.10683	1.1
153.05530	0.8
154.06543	0.8
156.07799	0.6
157.07654	1.0
158.07980	1.0
159.04459	0.7
161.05997	1.5
163.03900	3.9
170.11729	0.7
171.04466	0.8
175.03915	2.7
175.07513	1.0
176.10660	2.4
177.05466	37.9
177.09018	4.1
182.05994	0.6
184.09821	0.5
188.07100	1.7
189.05489	1.8
194.11694	4.8
197.12862	7.9
198.05850	0.8
200.07312	0.5
201.05484	1.7
204.10254	1.4
205.04951	20.0
206.05252	0.6
211.06091	0.5
212.07083	2.0
212.12840	2.4
214.08679	0.8
215.13904	28.0
216.10283	0.6
216.14090	0.6
217.04887	2.7
222.07616	21.5
222.11046	4.3
229.04965	1.1
234.07599	3.8
243.13390	35.7
244.13884	0.6
246.07616	1.5
261.14566	2.8
297.07269	0.6
297.12570	1.0
310.10782	0.8
311.09201	2.0
339.08710	2.3
353.41269	0.6
356.11203	1.4
357.14352	1.0
374.16229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65993	1.0
56.96581	1.1
57.03444	1.1
64.93082	1.0
69.03429	2.2
69.15055	8.4
70.06590	1.3
84.04522	1.4
85.02908	6.7
86.09732	1.2
87.04478	1.0
89.06035	51.1
96.04512	1.7
97.02908	1.9
98.20693	1.7
107.07058	3.3
124.03956	10.6
127.03948	1.5
132.07635	1.1
133.08624	19.4
135.04440	3.2
145.02901	1.3
151.09702	2.5
163.03911	5.3
170.99651	1.0
177.11256	5.8
180.06583	2.4
195.12292	100.0
198.07642	6.0
368.45538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01849	1.7
55.05502	2.2
55.43582	1.0
57.03434	5.9
67.05494	2.9
67.75688	1.1
68.99800	2.3
69.03437	6.4
69.07066	2.5
70.06583	9.3
71.05006	1.5
71.49005	1.1
72.08149	2.5
73.02889	1.5
75.04472	5.2
79.05476	1.3
81.03402	3.1
81.07050	2.6
84.04491	5.0
84.08158	5.2
85.02898	6.3
86.09708	21.3
87.10036	4.2
91.05477	5.4
93.07034	4.3
95.04973	2.2
95.08604	2.5
97.02855	2.8
102.05550	1.9
103.05455	1.2
105.07017	2.2
107.08620	2.6
108.08080	1.5
109.02829	2.2
109.06522	4.3
110.09662	2.2
112.07590	1.5
119.04941	2.5
120.08096	4.0
121.06541	2.9
122.06014	6.1
122.09614	1.1
123.03584	2.1
123.04433	31.7
123.06773	1.2
124.07590	4.3
129.10243	3.7
131.08577	3.3
132.10201	3.2
133.06497	1.8
135.04431	2.7
135.08047	1.6
136.07590	29.7
137.05972	1.9
138.09143	29.8
138.10208	1.5
138.12729	1.2
146.09639	1.4
147.04437	3.7
148.11214	6.0
149.05940	4.1
149.09648	2.0
150.09137	20.3
151.03888	3.6
152.10638	1.1
159.08008	1.1
161.05995	2.4
161.08493	1.2
163.03900	4.6
166.12274	4.2
175.03877	4.1
175.07562	5.2
176.10716	15.1
177.05479	54.2
177.09044	8.5
179.38904	1.1
184.13332	1.6
187.07579	1.1
189.05513	3.2
194.11748	13.4
197.12881	1.4
201.05550	4.3
202.08571	2.0
204.10150	5.4
205.04976	31.3
205.08569	2.5
212.07132	2.6
212.12820	100.0
215.13931	2.7
217.05022	6.4
217.08574	1.6
222.07660	29.7
222.11205	28.6
229.05116	1.1
231.11351	1.6
234.07637	7.7
234.11208	1.6
242.15060	1.9
243.15395	1.9
246.07669	3.0
283.46234	1.0
285.07437	1.3
297.07425	1.3
311.09088	4.0
323.36356	1.1
339.08539	2.7
339.12369	2.2
356.11240	2.5
356.14993	5.6
374.10904	1.7
374.15726	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	374.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32510	0.6
57.03434	2.4
58.24718	0.5
66.37182	0.5
69.03416	0.9
70.87586	1.3
71.01368	4.0
73.02922	5.2
78.03448	5.6
80.05041	2.8
83.01345	0.8
85.02903	11.0
89.06078	0.7
95.01337	6.8
96.04484	2.0
97.02882	0.8
99.00832	0.8
101.02396	2.5
103.03923	1.3
106.02916	22.0
110.03886	0.6
113.02364	5.4
123.00830	0.7
124.03954	100.0
131.03392	1.2
141.01834	10.7
141.37300	0.5
151.74414	0.5
159.02873	2.4
161.67169	0.5
180.06552	14.9
180.08090	1.0
180.18935	0.5
195.12285	1.2
198.07616	85.3
199.07809	0.6
199.30055	0.5
234.96904	0.5
374.10818	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44543	0.6
55.01868	1.1
57.03436	0.8
61.02932	1.8
61.97346	0.7
69.03426	4.4
70.64574	2.3
78.80589	0.6
81.03407	2.1
85.02909	15.0
89.03913	5.7
91.03922	0.7
91.05438	0.8
91.25288	0.7
97.02892	4.2
99.04458	0.9
109.02847	0.8
117.03390	17.6
121.06517	0.8
127.03913	2.4
134.03627	1.7
145.02856	46.9
145.04944	3.3
149.05954	6.1
163.03920	2.8
163.86371	0.6
171.57858	0.8
177.05478	100.0
178.05852	1.1
180.08638	1.1
195.06537	42.9
217.63107	0.7
225.41647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.4
57.07058	3.6
63.55227	3.6
67.05501	26.0
67.59438	2.9
69.07071	34.9
71.04997	8.8
74.25159	3.2
79.05482	15.0
81.07056	64.1
83.04996	3.0
83.08617	17.8
85.06524	8.7
87.04471	4.6
90.48640	3.3
91.05482	3.9
93.07034	34.9
95.08607	68.5
97.06531	4.5
97.10142	4.1
103.24283	3.5
105.07044	4.1
107.08587	32.2
109.10156	53.7
111.08099	4.0
111.11723	6.6
113.09669	6.2
113.14315	3.5
117.97433	2.9
121.10152	30.9
123.11713	29.7
133.10132	4.1
135.11720	12.6
137.13283	9.1
149.13260	18.7
163.14839	15.9
167.14313	87.9
175.14735	4.5
177.16389	8.2
178.25708	3.0
191.17952	7.9
205.19522	15.3
205.97569	3.5
209.18930	3.5
219.21120	4.0
228.94370	3.8
308.79398	3.9
354.99051	3.6
373.34711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01864	5.6
55.05505	14.2
55.55255	2.5
65.03930	5.7
67.05504	31.3
69.03411	7.2
69.07066	10.4
69.52298	6.2
69.52708	11.2
70.06593	8.1
70.59610	2.3
71.04996	4.7
71.19130	2.7
72.08162	3.0
79.05501	38.5
81.03414	7.7
81.07057	50.1
83.04982	7.6
83.08622	6.2
84.08162	4.1
85.02917	4.8
85.06523	4.3
86.09692	7.2
91.05479	42.3
92.34638	3.1
93.07053	52.0
95.04955	11.1
95.08617	35.1
97.02905	5.3
97.06522	5.7
105.07035	62.8
107.04950	8.7
107.08586	48.9
109.05892	2.7
109.06506	15.6
109.10177	16.5
111.04458	11.5
111.08119	3.7
117.07002	15.5
119.04918	4.2
119.08591	39.0
121.06529	6.3
121.10143	30.6
123.04429	8.0
123.08060	5.0
123.11692	5.2
125.05994	63.3
128.06172	3.2
129.07036	13.0
130.07790	3.0
131.04846	3.4
131.08568	37.7
133.06493	3.5
133.10141	34.0
135.08087	5.8
135.11696	17.8
137.05991	10.8
137.09641	4.5
139.03918	10.3
141.06963	6.2
142.07733	2.8
143.08565	21.1
144.09302	3.1
145.06477	5.5
145.10126	41.2
147.04437	4.6
147.08044	5.2
147.11688	40.6
149.05963	5.2
149.09639	4.6
149.13258	10.0
151.03914	7.7
153.04317	5.3
153.05481	59.9
154.07689	3.0
155.07037	33.3
155.08534	11.4
156.67755	2.7
157.10139	19.3
159.08084	3.6
159.11705	51.5
161.09644	3.9
161.13269	16.2
163.07556	4.0
165.05563	3.1
165.12753	3.0
167.07085	9.2
167.08536	3.5
168.09521	3.1
169.10114	10.2
171.11688	10.0
173.09627	3.3
173.13292	12.1
175.07587	5.1
175.11319	3.5
175.14792	19.3
177.05466	3.6
177.09053	5.7
179.07062	6.1
179.08542	4.2
181.10110	9.3
182.10931	5.4
183.11710	13.3
185.09505	3.7
185.13271	16.2
187.11246	4.2
187.14909	6.5
189.09138	3.4
189.16351	12.8
191.10625	3.8
193.08620	8.0
193.10193	3.7
195.11719	7.5
196.08733	2.7
197.09358	2.8
197.13283	8.0
198.36015	3.3
199.14842	10.8
201.12627	2.9
201.16397	38.7
203.10542	2.9
203.17964	4.9
207.10141	3.5
209.13269	7.6
211.09650	9.6
211.14902	6.8
213.16322	5.4
215.10683	5.6
215.17946	8.8
217.12277	6.7
221.13303	4.9
223.14882	4.5
225.16380	3.8
227.14430	4.4
229.12323	7.5
235.14981	6.4
237.16379	5.4
241.12297	3.8
243.13876	3.1
247.13553	4.1
249.16434	3.8
251.17940	5.7
253.19617	8.0
255.13861	4.7
269.15283	3.5
273.14890	4.9
275.17825	3.5
277.19470	11.7
281.15292	7.4
291.21011	16.2
293.22821	3.7
309.18744	5.3
309.22110	11.3
313.11533	4.4
319.20514	15.0
328.98227	3.2
337.21628	76.1
355.11761	4.2
355.22687	100.0
373.13327	12.8
373.23737	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	373.2223
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.36990	2.4
55.05508	7.7
56.69973	2.6
67.05515	21.8
69.03426	12.4
69.07061	13.3
69.26505	23.0
70.06599	6.8
71.04992	5.8
79.05466	6.9
81.03439	4.3
81.07056	19.3
83.04976	9.7
83.08617	8.9
84.08135	8.1
85.02892	7.7
85.06528	2.7
86.09721	6.3
91.05471	6.6
93.07051	8.8
95.08611	32.5
99.08079	3.4
105.07032	8.6
107.08605	24.9
109.06516	9.8
109.10159	100.0
112.39523	2.8
113.09679	3.0
119.08588	40.6
120.08131	3.9
121.10133	17.4
123.08079	13.1
123.11700	7.8
133.10115	23.8
135.08279	2.4
135.10704	6.1
135.11697	97.3
137.05954	3.1
137.09615	15.4
139.11134	3.4
140.49687	3.2
147.11601	3.2
148.56499	2.9
149.13254	8.6
151.11162	7.7
151.14806	10.3
175.14832	41.7
177.06488	2.7
193.15891	61.4
204.87109	3.2
211.16933	45.3
212.51208	3.0
321.38467	3.3
373.09198	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.9
61.17144	3.7
63.42170	4.2
67.05493	15.0
67.06902	4.0
69.03426	6.7
69.06332	4.2
69.07043	11.8
69.83098	12.1
69.83504	8.4
81.07036	12.5
83.04974	7.6
83.08628	4.8
85.02936	10.1
86.05047	3.8
93.07040	6.6
95.08610	42.1
104.89542	4.8
105.06998	8.7
107.08588	15.8
109.06494	9.6
109.10161	84.4
119.08569	32.0
121.10114	11.5
123.08048	8.1
123.11729	8.6
124.63123	4.0
131.19675	4.0
133.10136	14.7
135.11697	100.0
137.09592	8.4
149.13219	4.9
151.11253	6.7
151.14841	6.2
151.81956	4.5
175.14828	38.0
193.15886	62.9
197.97237	4.4
211.16971	41.4
255.99638	4.2
313.11652	9.7
339.63593	5.3
373.13852	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	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.44667	1.4
55.05507	8.5
57.07058	4.0
67.05505	18.8
69.03419	5.3
69.07068	12.2
70.47328	5.4
71.04967	3.3
79.05497	4.9
81.07050	17.7
83.04977	11.9
83.08601	5.3
85.02901	8.4
85.06542	3.7
86.09692	3.2
88.95188	1.5
91.05463	2.7
93.07051	10.1
93.42627	1.8
95.04944	2.8
95.08606	30.6
97.02944	2.8
99.08084	5.5
99.73441	1.5
105.07008	6.8
107.08599	25.6
109.06539	8.2
109.10155	100.0
111.08042	4.2
113.09636	2.1
119.08577	38.3
121.10146	10.0
123.08055	12.0
123.11702	8.2
127.03956	2.0
129.94868	1.4
132.50946	1.7
133.10135	22.7
135.11691	97.9
137.09618	19.1
146.09418	1.7
147.11639	2.0
147.46404	1.4
149.13269	4.3
151.11214	9.8
151.14830	9.5
153.12769	3.6
165.16408	2.6
175.14827	42.6
193.15877	55.3
196.25684	2.1
211.16937	51.6
364.71744	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	373.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05501	0.9
65.03941	3.4
67.01860	0.6
67.05491	1.5
68.99770	3.6
69.03413	1.0
69.07059	1.2
70.06586	2.6
71.04984	2.3
72.08147	1.0
79.05482	1.5
81.03412	1.2
81.07043	1.5
83.05006	0.7
84.04492	0.5
84.08122	2.0
85.02890	1.0
86.09676	1.3
91.05478	1.7
92.05014	5.9
93.03393	1.5
93.07024	1.7
94.06570	1.3
95.04957	1.1
95.07452	0.5
95.08611	1.3
96.08136	0.6
97.02874	0.7
98.20732	1.1
104.04995	3.3
105.07029	1.0
107.08595	1.2
108.08118	5.0
109.10168	0.9
110.09676	1.5
119.04935	0.6
119.08544	0.9
120.04462	13.8
120.08080	2.6
121.02858	0.5
121.10109	1.2
121.38155	0.5
122.06046	2.7
123.04407	1.8
129.10249	0.6
132.04443	1.7
133.10078	0.8
136.07591	8.2
137.05980	1.5
138.05505	1.4
138.09128	2.3
144.08133	0.5
147.04417	1.1
147.11707	0.6
147.43782	0.5
148.07556	2.2
151.03886	1.7
153.05376	0.5
154.08652	1.8
160.03954	3.3
162.05510	4.4
165.05507	0.6
165.12759	0.5
166.08633	5.6
167.07079	1.2
175.14729	0.6
177.05370	0.9
178.04930	2.3
180.08086	0.5
188.03426	100.0
189.03847	1.4
191.07051	0.7
193.15886	1.5
196.09959	0.6
197.10748	0.7
199.12317	0.7
201.05495	0.9
202.04958	0.8
206.04520	7.4
208.07704	0.6
211.12354	0.6
220.06036	7.6
225.10249	0.9
226.10783	0.6
227.11739	0.9
239.11813	1.3
252.09077	1.5
253.09731	0.7
267.11115	2.7
269.12958	1.7
271.10846	0.6
280.08496	0.7
285.12158	0.6
295.10794	4.0
297.12314	2.1
299.10123	1.5
313.11780	4.6
323.10242	9.6
327.12360	0.6
341.11316	38.4
342.11523	1.1
355.12558	2.2
373.13846	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	373.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.9
55.05503	8.7
57.03429	6.6
60.53001	5.5
67.05495	11.0
69.03437	28.5
70.06589	33.3
71.01371	7.1
71.04976	5.8
71.48183	6.7
72.08169	10.5
73.04757	11.3
79.05478	6.6
80.05016	6.0
81.03421	7.5
81.05828	5.4
83.04987	43.3
83.18563	4.6
84.04502	8.4
84.08142	17.8
85.02913	28.3
86.09737	8.1
91.05795	10.8
93.03413	9.1
95.04988	39.8
96.00067	5.1
97.02892	13.3
106.02915	13.9
107.04971	17.2
111.04459	60.1
121.02882	7.2
124.03954	100.0
129.05486	46.3
129.10252	7.6
135.04449	33.1
139.03900	41.4
141.01799	7.5
147.06549	39.1
147.11398	7.1
153.05467	17.7
157.05026	31.7
163.03877	29.4
175.97540	5.3
180.06560	26.6
181.04976	11.5
193.07120	47.1
198.07628	64.7
211.11172	6.3
228.31343	6.0
276.04364	5.9
287.00439	9.3
301.05847	6.0
332.68854	6.7
373.00586	24.5
373.11057	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	372.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.6
56.05038	10.4
67.05511	1.9
69.03434	1.9
69.07061	2.7
70.06595	11.2
71.38108	2.3
72.08148	3.7
73.02921	100.0
73.04760	1.6
79.05512	1.4
81.03426	1.5
81.07041	1.3
83.06105	1.5
84.04519	3.5
84.08148	4.8
84.95388	1.3
85.02898	2.0
86.09704	23.2
87.04480	2.6
89.06035	74.1
97.02905	1.6
98.85253	1.1
99.04457	1.4
101.07121	1.4
105.07013	2.1
110.07203	2.6
116.07132	1.3
117.05516	1.3
120.08141	3.4
121.06476	1.5
123.04417	6.0
127.03921	1.3
129.10249	3.8
130.05049	1.4
130.06584	1.4
133.08611	51.2
135.04459	1.2
136.07617	1.6
137.05977	1.4
147.04398	2.2
149.05991	1.4
151.03995	2.1
161.08130	1.6
165.05499	6.0
166.02328	1.3
177.05490	12.3
177.11249	16.9
196.14343	1.4
205.10756	2.6
210.15744	1.4
214.56792	1.4
220.09624	8.7
221.13852	2.3
221.85318	1.4
222.41872	1.4
239.14952	4.1
242.15079	2.3
269.09421	1.2
283.17496	2.8
286.01154	1.6
300.06021	6.2
301.06531	1.6
326.07724	1.2
327.20139	24.8
329.10391	2.7
341.15701	1.9
344.08481	1.7
355.19739	4.2
372.07828	7.0
372.14182	3.2
373.18289	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	372.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22571	1.4
52.71479	1.4
53.37334	1.5
55.05505	7.7
56.05026	2.2
57.03428	3.0
59.05004	68.5
64.87287	1.6
67.05512	1.9
69.03435	1.8
69.07048	3.8
70.06589	16.4
70.63020	1.5
71.49819	2.6
72.08154	3.9
79.05469	2.6
79.64919	1.4
81.07054	4.3
83.04964	3.4
83.08604	4.3
84.04499	2.9
84.08133	6.7
85.02924	1.6
86.09707	12.9
87.04445	6.7
89.06032	100.0
91.05444	1.9
95.04980	2.8
100.07616	4.0
100.11246	17.0
103.07563	6.7
103.08182	1.6
105.07037	2.4
107.04906	1.7
107.07065	2.8
109.02850	2.0
111.04425	7.1
112.07612	2.0
117.09108	4.8
120.08121	1.9
123.04379	7.7
124.03977	1.7
126.09070	1.9
128.07068	4.7
129.10196	2.4
130.06546	1.7
133.08606	62.2
137.05962	4.1
139.11087	1.8
140.07054	3.9
142.75711	1.5
144.08096	2.8
145.08469	1.7
147.04388	6.8
147.10170	1.9
147.11710	2.0
149.06006	1.7
151.03886	4.1
151.09613	4.6
165.05402	4.4
177.05394	2.7
177.11201	14.4
182.15425	16.0
195.12242	3.5
207.61407	1.5
210.14871	25.7
220.10471	2.6
225.10173	1.6
227.17558	1.9
228.15955	9.0
229.13733	1.7
239.14886	57.9
291.72617	1.6
297.19101	12.9
329.10190	2.7
337.21243	16.5
355.22876	20.4
372.14304	3.9
373.13861	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83113	2.9
54.97047	3.5
55.01860	3.9
55.05502	17.2
57.07076	15.7
58.60295	2.9
66.37918	3.3
66.43165	2.9
67.05511	28.2
69.07071	28.7
71.04969	3.6
71.08617	9.4
71.50456	5.1
79.05482	17.2
81.07055	87.9
81.98374	2.9
83.08620	14.4
85.06538	11.2
85.86305	2.9
89.06030	6.2
91.05451	21.4
93.07048	73.0
95.04950	3.3
95.08607	100.0
97.06518	3.7
97.10165	9.3
101.06028	8.7
102.44850	2.9
105.07039	36.9
107.08597	92.5
109.10158	68.8
110.05286	3.0
111.08079	31.7
111.11691	4.9
113.02374	3.0
119.08576	33.5
121.06512	3.5
121.10149	71.4
123.11700	54.8
131.08566	9.0
133.08612	4.0
133.10126	22.6
135.11711	39.1
137.13271	23.0
145.10143	12.4
147.11705	26.4
149.13284	35.9
151.14877	4.1
157.10063	3.6
159.11757	7.1
161.13260	29.9
163.14812	32.1
165.09142	6.1
165.12675	4.9
167.14252	7.0
171.11780	3.9
173.13245	8.5
175.14798	13.8
177.16397	8.0
179.14342	7.9
181.15884	13.1
187.14868	5.2
189.16444	16.3
191.17969	73.7
193.15851	3.7
199.14847	3.9
201.16490	7.3
203.18024	18.5
205.19545	9.5
217.19461	33.1
231.20981	4.1
243.21007	7.4
257.22617	6.7
296.63928	3.4
353.32059	9.3
371.28958	7.0
371.33118	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02600	0.4
55.24107	0.4
69.03402	0.4
69.07038	0.6
70.06579	1.7
71.15473	0.9
72.08144	0.4
73.06544	1.4
84.08115	0.5
86.09712	0.9
87.04464	5.0
87.89082	0.4
89.06027	100.0
90.06354	0.7
91.07590	0.6
107.07085	1.0
107.26719	0.4
115.08695	0.5
119.04974	0.4
123.04408	0.6
131.07039	0.7
133.08600	46.3
134.08943	0.5
147.04419	0.5
149.09595	0.5
151.03870	0.9
163.14714	0.5
177.05551	0.4
177.11217	9.9
177.12697	0.6
191.14383	0.9
191.88322	0.4
209.15334	0.9
216.20256	0.4
221.13895	1.0
239.15108	0.4
251.60727	0.5
283.17630	0.6
297.27090	0.4
327.20248	0.6
355.44531	0.5
371.16745	0.9
371.22760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03922	1.5
53.63802	1.2
55.01868	1.7
55.05503	2.6
57.03424	3.7
58.26575	1.1
61.02925	3.8
67.05499	4.9
69.03432	13.2
69.07060	3.5
70.06593	3.3
71.19988	2.7
73.02901	1.3
79.05474	4.7
81.03416	7.4
81.07056	9.9
83.04968	1.9
85.02900	28.5
85.06528	1.3
86.09705	1.6
87.04466	1.7
89.06026	6.5
91.03978	1.3
91.05471	8.5
93.07056	4.2
95.04956	5.5
95.08606	7.5
97.02887	10.8
99.04455	1.9
105.07035	4.8
107.05019	1.6
107.08588	8.2
109.02876	4.8
109.06518	21.4
109.10173	3.6
117.07079	1.3
119.04937	6.2
119.08582	5.9
120.08106	1.9
121.06445	1.9
121.10143	11.3
123.04424	29.9
123.08076	6.8
123.11655	3.1
125.09582	1.5
127.03931	5.1
129.05479	1.6
129.95895	1.2
131.08554	2.2
133.08617	2.0
133.10115	4.3
135.08070	3.3
135.11719	2.2
137.09627	11.6
139.03899	2.0
145.04973	6.0
147.04402	17.7
147.06631	1.4
147.11752	2.0
149.05934	1.3
149.09615	10.7
149.13243	7.3
151.03900	26.8
151.11205	15.4
153.09097	2.7
161.06007	2.5
165.05453	11.2
165.12749	45.8
173.13264	3.5
177.05496	2.5
181.04961	1.7
191.14301	18.2
209.15364	100.0
210.15765	2.3
219.10162	19.2
249.11171	1.9
303.08582	4.9
332.54764	1.3
371.14957	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
55.05512	7.3
57.07081	4.6
58.04205	7.3
67.05501	8.7
69.03422	12.7
69.07058	13.6
69.43432	27.0
70.06590	17.6
71.04995	6.2
73.02910	26.3
79.05492	16.0
80.05506	23.5
81.03383	5.8
81.07066	23.2
83.04975	5.2
83.08627	5.1
84.04476	5.4
84.08171	7.4
85.02899	19.3
85.06534	6.7
86.09706	6.5
87.04455	12.5
89.06040	100.0
90.06386	5.0
91.05476	16.2
93.07022	12.9
95.04962	14.5
95.08598	18.5
97.02897	7.8
97.06552	6.6
98.21551	8.4
101.39822	4.2
102.06777	10.0
105.03366	5.5
105.07028	16.6
107.04971	9.9
107.08604	34.5
109.02865	6.8
109.06512	56.9
109.10146	17.0
111.04456	7.5
111.08086	5.2
115.05508	6.0
119.04943	16.5
119.08590	12.3
121.06557	4.8
121.10158	23.1
123.04430	67.7
123.08078	6.1
124.08060	11.6
127.03870	8.7
129.05482	6.4
131.08615	10.1
133.08617	56.7
133.10130	99.3
134.08965	4.6
135.04395	4.6
135.08046	8.3
135.11740	7.0
137.05983	11.6
137.09610	39.5
145.04919	5.1
145.10040	5.0
146.09413	9.0
147.04424	43.7
147.11693	10.1
149.06029	10.3
149.13223	9.3
151.03914	77.7
153.05591	4.1
153.09087	9.7
155.09883	5.8
158.10876	4.3
158.42087	4.0
163.03862	5.0
163.14810	6.9
165.05479	28.1
173.13219	26.1
175.03993	4.1
177.05475	14.7
177.11240	16.0
181.04991	4.1
191.14311	54.3
192.07800	9.4
207.06621	6.6
209.15312	21.8
219.10159	73.9
223.14941	4.0
303.09033	3.8
339.12274	7.6
366.05237	4.8
371.15213	26.9
371.19510	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03919	3.9
55.01857	4.6
55.05511	26.0
57.03435	5.7
57.07084	16.8
58.22284	2.3
59.04995	7.4
67.05501	12.9
67.10186	2.6
69.03433	28.6
69.07074	27.5
69.48769	12.2
69.49174	4.6
70.06585	12.4
71.04977	3.9
73.02906	2.7
73.04739	3.0
79.05495	27.5
81.03419	12.2
81.07057	100.0
81.07536	6.3
83.04987	20.3
83.08620	51.4
84.08130	5.7
85.02905	26.6
85.06533	6.5
86.09690	8.1
87.04445	2.8
89.06028	5.9
91.05488	8.3
93.07043	29.1
95.04980	5.2
95.08595	15.4
97.02907	13.6
97.06510	11.0
98.21459	5.2
99.04435	8.6
101.05946	2.7
103.03934	3.7
105.07014	11.5
107.08591	34.5
109.02847	4.4
109.06524	47.6
109.10159	36.5
111.04443	6.4
111.08060	22.6
119.08571	8.9
121.10147	30.4
123.04403	4.1
123.08045	4.6
123.11696	27.4
125.09570	5.2
125.13251	7.6
127.03912	18.2
127.07529	3.4
129.05447	4.1
131.08565	5.4
133.10100	7.4
135.08047	9.3
135.11716	3.3
137.09599	6.6
139.11125	4.3
145.04970	3.3
145.10078	3.3
147.04416	3.1
147.11646	3.4
149.09616	55.7
149.13243	50.2
151.03952	4.4
151.11172	6.8
153.09116	10.8
158.64864	2.2
163.07524	3.0
163.14819	7.3
165.05508	3.7
165.09090	3.1
165.12843	2.9
167.14314	52.8
169.12144	3.8
171.10156	5.2
173.13252	9.2
177.05551	3.6
191.14349	24.6
209.15361	42.0
219.10265	3.2
227.16389	4.4
299.05435	5.5
335.18652	3.2
353.19504	5.0
371.07666	2.9
371.16586	13.6
371.20831	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.48804	4.7
53.03933	5.3
54.92981	5.0
55.00374	5.0
55.01863	6.2
55.05507	31.4
57.03434	7.6
57.07065	17.3
57.27522	4.8
61.02922	8.6
67.05496	8.9
69.03434	55.8
69.07065	31.3
69.95997	21.8
70.06592	19.4
71.01339	5.7
71.04990	12.5
72.08135	8.5
72.75861	5.0
73.02927	5.4
73.04731	8.6
79.05480	32.8
81.03399	30.2
81.07055	88.0
83.04990	41.9
83.08614	35.8
84.08124	8.4
85.02906	100.0
85.06549	9.3
86.09688	8.3
87.04473	13.7
91.05439	7.8
93.07045	30.1
95.04980	15.5
95.08580	25.3
97.02898	38.3
97.06541	11.8
99.04464	13.3
101.06018	7.0
105.07024	16.0
107.08602	34.4
109.02882	53.2
109.06525	48.9
109.10149	36.6
111.04459	6.1
111.08086	14.5
119.08597	15.2
121.10164	42.4
123.04409	12.0
123.08025	9.4
123.11699	32.6
125.09638	11.2
127.03923	64.0
129.05453	9.6
133.10114	16.4
135.08066	6.4
139.03902	6.1
139.11128	6.0
145.04988	13.8
145.10133	6.4
147.11742	8.1
149.09564	5.5
149.13275	40.2
151.03880	10.5
151.11182	13.3
153.09152	6.6
163.14819	9.4
165.08987	4.8
165.12804	4.6
167.14320	56.4
169.12183	7.7
171.10185	8.7
173.13275	15.5
176.55611	4.8
185.08185	5.8
187.05927	8.1
191.14293	30.8
205.07065	26.7
209.15359	55.6
223.08923	4.9
278.39346	5.7
285.00839	7.0
371.16541	14.2
371.20584	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53049	6.0
55.05492	7.0
57.07072	6.2
59.97465	6.3
61.38387	7.0
65.62395	6.0
67.05510	9.2
69.03436	9.0
69.07054	11.1
70.06587	16.8
70.75088	17.6
79.05495	11.5
81.03420	9.4
81.07044	31.0
83.04983	13.9
84.08128	8.7
85.02898	19.7
85.06509	6.2
91.05462	15.3
93.07057	13.6
95.04919	8.3
95.08597	20.6
97.06554	8.2
101.06029	8.5
105.07035	24.5
107.08591	39.3
109.06503	28.2
109.10134	22.6
119.04945	12.5
119.08562	9.2
121.10166	35.5
123.04425	68.1
123.08063	9.2
125.09542	7.4
127.03867	7.5
129.73701	7.3
131.08543	15.1
133.10114	63.9
135.08011	17.6
145.10167	10.5
147.04399	47.0
147.11636	8.6
149.09644	9.4
149.13216	15.6
151.03917	95.7
151.11163	51.0
153.09143	6.9
163.14848	12.4
165.05452	34.3
173.13292	32.3
177.05424	11.4
191.14285	67.7
207.06464	8.4
209.15338	45.1
219.10152	100.0
339.12299	11.3
371.14679	24.3
372.23428	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	371.1491
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
50.67286	0.8
51.02390	1.0
51.06390	1.0
53.03935	2.3
54.74480	0.9
55.01866	2.9
55.05505	2.1
64.85005	1.0
65.03951	1.2
67.05495	2.8
68.99780	1.1
69.03406	2.0
69.46385	7.2
70.06581	1.7
77.03934	2.0
79.05495	5.9
81.03409	1.8
81.07053	9.3
85.02882	0.9
91.05453	8.8
93.07047	2.7
94.04184	1.3
95.04962	3.8
95.08591	3.2
97.02901	0.9
101.05943	0.9
105.03413	1.3
105.07043	2.1
107.04964	5.8
107.08496	1.0
108.34988	0.9
109.02907	3.8
109.06487	1.4
109.10153	1.4
111.25387	1.1
115.05433	2.8
116.06291	1.4
119.04946	14.1
121.06476	2.0
121.10113	1.5
122.03637	2.0
123.04431	58.9
123.08031	2.5
123.11752	1.0
125.02353	1.5
127.03934	1.6
128.06232	1.9
129.06992	4.4
131.04935	2.4
131.08574	4.6
133.06509	1.6
133.10139	1.0
135.04388	3.0
137.05988	23.8
139.03883	3.5
143.04875	1.5
144.05724	1.9
144.08127	0.9
145.06485	2.3
145.10135	1.5
147.04414	40.3
149.05966	5.2
149.09578	1.2
151.03908	100.0
155.06052	1.2
156.05672	4.3
157.06461	1.9
158.07372	1.3
159.04472	1.6
159.08057	4.6
161.05988	6.0
162.05168	1.0
163.03888	4.4
165.05476	23.2
165.06892	1.6
165.09085	2.3
167.07040	8.9
169.06390	1.3
172.05229	1.2
173.05972	1.7
174.06770	1.8
175.07549	3.7
176.04668	1.1
177.05464	13.7
177.09077	1.3
179.07091	1.1
181.04910	2.3
186.06731	1.5
187.07555	5.6
189.05478	1.5
189.09052	2.6
191.06903	1.0
201.09090	2.5
203.08606	2.0
205.08560	2.2
206.07205	1.3
207.06485	3.5
207.10107	1.7
208.08647	1.2
213.08914	1.2
215.06932	1.8
215.08725	1.8
217.08571	16.9
218.07257	3.3
219.08290	2.9
219.10159	85.5
221.09596	1.7
231.08064	2.6
233.09634	5.2
234.06721	3.5
235.07513	2.4
237.05484	1.5
239.07027	4.4
241.08609	4.2
242.05748	1.9
246.06773	1.7
247.07523	2.1
247.09712	7.6
249.09137	5.0
249.11316	2.8
250.09727	1.7
251.07056	1.6
252.07843	3.5
257.08002	2.3
260.08322	1.2
261.08987	5.7
263.06982	2.8
265.08624	2.0
266.09518	1.3
269.08035	2.1
271.06143	2.0
277.08612	5.4
278.09299	3.1
281.11749	3.2
285.07568	12.5
289.08743	2.4
293.08145	1.9
293.11703	4.8
295.09750	2.0
300.09921	12.6
301.10657	4.5
303.08752	5.4
306.08743	2.2
307.09659	2.3
309.11282	6.4
313.10709	3.5
321.11179	8.1
321.46930	1.2
323.09109	1.7
326.11456	3.9
327.11987	1.2
329.10242	1.5
337.10272	1.7
338.11548	1.6
339.12228	3.2
341.13849	3.0
353.13889	14.9
371.14905	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	371.1491
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
51.02370	0.6
53.03940	1.4
55.01872	1.7
55.05497	1.0
57.03431	0.4
65.03936	1.0
67.05511	2.3
68.99783	1.7
69.03425	1.6
69.07063	0.8
70.06564	0.5
70.61936	0.6
70.62270	0.5
77.03935	1.3
79.05495	3.1
81.03412	1.7
81.07059	6.0
83.04984	0.6
84.08117	0.4
89.03918	0.5
91.05473	6.1
93.07042	1.5
94.45214	0.3
95.04970	2.7
95.08596	1.9
101.06036	0.4
103.05441	0.7
105.03385	2.3
105.07054	1.7
107.04939	1.8
107.08598	1.0
109.02883	3.9
109.06521	0.8
109.10147	1.8
111.04446	0.5
115.05464	0.7
117.06995	0.6
119.04945	12.2
120.05270	0.5
121.02843	0.4
121.06501	1.6
123.04429	56.4
123.08047	2.2
124.04832	0.6
125.02351	1.4
127.03893	1.0
128.06184	0.3
129.05469	0.4
129.07054	0.6
131.04916	1.0
131.08572	1.1
133.06511	0.6
133.10152	1.0
135.04399	2.9
137.02376	0.4
137.05989	2.9
137.09648	0.4
139.03902	3.4
143.04933	1.0
145.06479	0.6
145.10101	0.6
147.04414	36.4
148.04729	0.4
149.05994	5.2
149.09644	1.1
151.03905	100.0
152.04239	1.1
153.05528	0.6
155.08615	0.6
159.04413	0.7
159.08043	0.6
161.05972	3.6
163.03914	3.1
165.05479	21.7
165.09068	0.6
167.07040	1.7
173.06015	0.5
173.09634	1.0
175.03941	0.6
175.07623	0.6
176.04628	1.3
177.05482	11.1
177.09102	1.0
179.07016	1.3
181.04929	1.2
183.08087	0.4
187.07623	0.6
189.05510	1.0
189.09045	0.5
191.07068	0.7
191.10596	0.8
193.05013	0.9
193.08656	0.5
195.10191	0.6
201.09138	1.5
203.10634	0.6
207.06512	3.0
207.10165	1.5
209.07184	0.6
215.06992	0.6
217.08557	1.3
219.10162	85.0
220.10463	1.7
231.10182	1.1
239.07059	0.5
247.09596	0.4
249.09372	0.4
249.11302	3.5
251.06927	0.5
258.40155	0.4
277.08487	0.5
285.07626	1.2
291.10419	0.3
300.09903	1.0
301.10898	0.4
303.08640	7.2
309.11179	0.5
321.11270	0.8
329.10272	0.8
339.12369	0.5
353.14044	2.6
371.14920	15.3
373.22186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
50.01586	0.6
50.56316	0.5
51.02362	0.6
53.03941	2.1
55.01862	2.9
55.05509	2.8
57.07064	0.8
65.03930	1.1
67.05503	4.7
68.99789	2.2
69.03425	1.6
69.07053	1.4
70.06583	1.8
70.11806	2.4
71.01336	0.7
77.03928	1.0
79.05492	5.4
81.03440	3.0
81.07059	13.1
83.04971	1.2
84.08124	0.6
85.02884	0.9
86.06049	0.5
91.05466	10.9
93.07064	3.1
95.04964	5.3
95.08614	3.6
97.02890	1.0
98.21497	0.7
100.46569	0.6
100.49265	0.5
101.06020	1.2
102.04676	0.6
103.05449	2.5
105.03395	2.7
105.04508	0.8
105.07040	3.7
107.04956	3.4
107.08561	1.2
109.02878	5.2
109.06531	0.9
109.10152	2.0
111.04459	1.8
115.05433	2.3
117.07009	1.1
119.04940	18.4
119.08563	1.3
121.02898	0.8
121.06490	3.0
121.10179	0.8
123.04428	100.0
123.08035	4.0
125.02361	1.8
125.09581	0.7
127.03921	1.2
129.05461	0.9
129.07001	1.4
131.04906	1.8
131.08543	1.0
133.06499	1.6
133.10121	1.3
135.04420	4.6
137.02356	1.5
137.05939	4.5
139.03908	7.4
141.06941	0.6
143.04890	3.5
144.08113	0.9
145.06487	1.0
145.10138	0.9
147.04408	53.3
147.11696	0.7
148.04845	1.2
149.05981	23.2
149.09634	2.1
151.03902	97.3
152.04260	3.4
153.05492	1.5
154.09514	0.6
155.08508	0.7
157.06555	0.7
159.04387	0.9
161.05992	11.8
163.03934	6.6
165.05479	34.1
165.09145	0.9
167.07036	6.0
169.05096	0.7
173.06010	1.0
174.06816	0.7
175.03987	0.8
175.07515	1.1
176.04526	0.6
177.05478	12.5
177.09143	2.2
178.05850	0.8
179.06998	2.6
181.04930	3.3
187.07556	1.3
189.05475	4.0
190.05814	1.5
191.07040	1.8
191.10732	1.0
193.04973	2.2
195.10124	0.7
201.09079	2.7
203.07030	0.7
203.10645	1.0
204.07475	0.7
205.08604	0.9
207.06516	7.8
207.10101	2.9
208.06918	0.6
217.08595	1.3
218.09363	0.8
219.10155	88.5
220.10522	4.4
231.10194	2.6
233.09608	0.7
239.06999	0.6
247.09764	0.8
249.11215	6.0
261.09067	1.2
265.12341	0.5
267.06656	0.7
277.08636	1.0
281.11823	0.8
285.07617	2.1
289.08508	0.7
303.08630	14.9
309.11343	0.7
311.09549	0.6
339.12314	3.2
341.13937	0.6
353.13803	4.4
371.14954	22.1
372.15070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1483
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
50.86182	0.9
51.02388	1.0
53.03714	1.0
53.03951	1.8
53.06594	1.0
55.01866	2.7
55.05504	3.9
57.07070	1.7
65.03947	1.7
67.05496	4.3
68.99776	1.6
69.03430	1.6
69.07090	1.5
71.49304	1.6
71.49682	1.1
77.03941	1.4
79.05498	6.6
80.26529	1.1
81.03421	2.6
81.07055	18.8
83.04960	1.1
91.05457	12.9
93.07026	3.8
95.04965	4.6
95.08590	6.2
101.06005	2.7
103.05479	1.7
105.03395	1.9
105.07030	3.5
107.04948	2.4
107.08573	1.5
109.02862	4.2
109.10145	3.9
111.04443	2.6
115.05464	2.2
117.06995	1.3
119.04947	20.1
119.08546	1.4
121.02859	1.1
121.06508	2.1
121.10162	1.4
123.04435	100.0
123.08068	3.8
124.04786	1.7
129.05476	3.1
131.08553	1.8
133.06483	1.5
135.04402	3.9
137.05952	3.0
139.03896	5.5
141.30965	1.0
143.04919	2.4
147.04416	55.9
147.06328	1.8
149.05986	14.0
149.09569	1.3
151.03914	75.7
161.05984	9.5
163.03926	5.0
163.07556	1.8
165.05490	34.2
165.06911	2.1
165.09094	1.3
167.07043	1.8
169.04980	1.7
177.05502	12.3
179.07011	2.3
181.04927	3.7
187.07475	1.2
189.05428	1.1
191.06990	1.3
193.04951	1.6
201.09187	2.7
203.10622	2.1
207.06517	5.3
207.10173	1.9
219.10167	64.7
220.10460	1.2
231.10251	2.8
235.07605	1.1
249.11252	5.1
285.07590	2.9
303.08612	17.0
353.13901	3.9
371.14868	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	369.1183
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02377	0.8
53.03947	3.3
53.04151	0.5
53.11161	0.5
54.46124	0.6
55.01860	1.0
55.05489	1.3
56.71170	0.7
57.03429	1.6
61.02900	0.7
65.03928	1.9
67.05478	1.6
69.03438	6.1
69.07064	1.0
69.75345	3.4
70.06576	2.4
71.04995	0.6
71.39249	0.5
73.02899	0.6
77.03910	0.8
79.05473	1.1
81.03418	17.0
81.07035	2.7
83.04955	0.9
84.08136	1.6
85.02907	6.1
86.06032	0.7
86.09713	0.8
91.05482	29.4
93.07023	1.7
95.04976	1.5
95.08601	1.5
95.21181	0.6
97.02887	1.9
99.04448	2.0
103.05441	1.3
105.03374	0.9
105.07023	1.9
107.04956	1.6
107.08553	1.4
109.02889	6.9
109.06510	0.8
109.10130	1.1
119.04943	36.7
121.06481	1.3
121.10162	1.1
122.03645	0.6
123.04428	3.9
127.03892	1.9
131.04910	1.3
131.08522	1.2
132.02061	2.0
135.04391	1.5
136.07622	0.9
137.05965	2.3
139.03900	1.2
145.02777	0.8
147.04413	32.8
147.11687	0.9
149.02322	1.2
151.03906	4.1
151.11171	0.6
157.03951	3.5
159.04428	0.7
159.11739	0.8
161.06009	0.6
163.03880	0.9
164.04716	1.6
165.09206	0.6
167.06996	0.7
175.03912	55.7
176.04335	0.8
177.05522	1.0
179.07024	2.3
181.04933	0.7
187.03931	0.7
189.05525	0.9
192.04196	2.1
207.06526	100.0
208.06810	1.4
210.15025	0.6
217.08592	3.8
219.10226	1.1
225.07602	1.6
247.07520	0.8
309.10986	1.1
327.08344	1.1
337.10425	1.1
351.10690	17.3
352.11053	0.8
356.42868	0.8
369.13037	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	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03431	0.7
59.51847	0.3
61.02935	0.8
61.39280	0.3
69.03430	2.5
70.06594	1.1
70.61332	1.0
71.04998	0.5
72.04508	0.3
72.96336	0.3
73.02912	0.8
81.03426	1.4
84.08149	0.5
85.02904	5.8
87.04475	0.3
91.03924	0.4
97.02908	2.2
98.20764	0.4
99.04478	0.4
109.02881	0.6
116.07005	0.4
119.88414	0.4
127.03909	1.2
132.04454	7.7
145.04984	1.0
153.12958	0.3
160.03976	1.3
166.12259	0.3
174.11240	0.7
175.11920	1.5
178.04996	67.1
179.05368	0.6
202.10756	0.8
206.04486	100.0
207.04817	1.6
228.21280	0.3
278.16217	0.3
281.63910	0.4
314.71820	0.4
350.14316	0.5
368.09647	0.4
368.15402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95267	1.6
55.05512	10.0
57.07058	5.4
66.68510	1.7
67.05503	15.0
69.07066	20.8
69.57362	7.3
69.57773	3.5
79.05488	6.5
81.07055	30.6
83.08611	12.1
91.05486	7.0
93.07044	15.5
95.08607	47.0
97.10155	4.8
105.07032	20.1
107.08597	25.8
109.10165	30.7
111.11710	2.9
117.07047	2.4
119.08587	25.6
121.10143	22.2
123.11693	13.5
131.08571	4.3
133.10141	20.8
135.11699	13.5
137.13245	11.8
143.08572	2.6
145.10123	11.7
147.11676	15.7
149.01663	1.9
149.13257	13.3
151.14864	2.5
157.10124	1.6
159.11661	10.9
161.13258	33.7
162.88347	1.5
163.14833	14.0
168.16937	1.5
171.11627	2.0
173.13261	7.3
175.14838	8.6
177.16396	5.7
183.11705	2.3
185.13213	1.8
187.14851	5.6
189.16470	7.6
191.17947	3.3
191.59608	1.5
201.16411	3.2
203.17987	7.2
205.19521	3.3
215.17989	6.3
217.19382	2.4
229.19516	7.2
231.20950	2.5
232.96594	2.1
243.21095	3.0
255.21069	2.5
257.22656	3.5
269.22696	2.8
271.24133	1.7
297.25778	3.9
311.27493	2.0
313.77576	1.8
367.29932	4.0
367.33615	100.0
368.33884	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.05516	19.3
57.03440	5.5
57.07067	11.4
65.03916	2.8
67.05508	45.8
69.03426	9.2
69.07063	26.8
69.75905	16.0
71.05012	5.5
79.05490	40.3
81.07058	55.2
82.55736	2.9
83.04959	7.5
83.08612	10.5
85.06542	6.1
91.05485	56.0
93.06487	5.8
93.07049	89.8
94.81451	3.0
95.04974	31.7
95.08606	59.5
97.06530	10.9
97.10211	3.3
103.05471	5.5
105.04539	2.9
105.07034	100.0
107.08597	59.2
109.06530	14.3
109.10154	46.9
110.13406	3.1
111.08082	6.4
115.05416	4.2
116.06228	3.5
117.07036	21.6
119.06059	3.6
119.08585	94.2
121.06498	10.8
121.10135	51.2
123.08101	5.0
123.11739	14.4
125.09680	2.7
128.06203	12.8
129.06998	14.8
130.07813	12.0
131.08577	57.6
131.80296	2.7
133.10139	61.9
135.08041	19.7
135.11699	25.7
137.09619	6.6
139.11241	4.4
141.06993	12.0
142.07774	19.1
143.08566	43.1
143.65437	2.7
144.09323	10.6
145.06538	3.2
145.10130	59.5
146.07272	4.9
147.08049	11.5
147.11679	21.0
149.09633	10.7
149.13286	5.0
153.06956	3.3
155.08543	11.4
156.09349	15.3
157.10127	55.4
158.10898	10.0
159.08096	4.8
159.11711	34.4
161.09633	41.5
161.13255	9.9
163.11171	5.0
163.14766	3.1
167.08513	5.6
168.09354	6.9
169.10089	21.6
170.10890	4.9
171.11688	24.4
172.12489	4.2
173.09671	5.0
173.13277	27.6
175.11150	5.2
175.14847	19.1
179.08553	11.0
181.10095	10.1
182.10939	6.3
183.11674	19.7
184.12398	5.1
185.09508	3.5
185.13229	17.0
186.13744	3.1
187.14806	18.9
189.12769	6.7
189.16347	3.4
193.10147	4.6
194.10936	9.8
195.11673	13.8
196.12514	4.9
197.13228	22.8
198.14113	2.8
199.14868	13.1
201.12700	3.4
201.16389	7.2
208.12498	5.2
209.13254	24.5
210.13991	4.1
210.87491	2.9
211.14818	12.0
213.12805	5.5
213.16408	6.4
221.13289	4.2
223.14850	5.4
225.12711	4.6
225.16406	6.5
227.14438	15.5
237.16399	3.4
239.17984	9.9
241.15950	3.5
241.19493	5.0
249.16377	2.9
251.18010	3.1
255.17450	7.0
265.19495	5.4
267.17606	4.5
269.18918	6.6
293.19098	3.3
349.25266	7.7
349.29013	4.2
367.22360	3.2
367.26227	11.6
367.30078	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	367.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58305	2.3
70.06594	31.2
71.48553	3.6
76.02230	6.9
81.03410	5.5
84.04472	3.5
84.08146	7.8
85.02879	5.1
90.05552	3.1
91.05455	5.2
93.07020	7.0
95.04959	3.1
101.00871	11.6
103.05472	3.9
113.00916	2.3
116.01665	2.9
118.67121	2.1
119.01910	9.5
121.06506	100.0
121.68778	2.2
123.04440	2.6
123.30458	2.4
127.08639	12.9
129.00343	3.7
130.06538	4.9
135.04391	2.8
136.07660	2.5
137.02234	3.1
139.02382	7.9
143.01889	5.8
144.01160	4.0
145.03419	8.6
147.01370	6.6
155.01941	2.4
155.08170	10.8
156.02615	4.1
157.03479	17.2
160.02190	4.0
161.02937	4.6
166.12277	91.1
167.01889	2.8
169.03429	3.0
171.05029	2.6
175.04492	3.5
176.03780	4.5
185.02959	9.6
193.06395	6.8
199.04591	3.9
203.08183	2.9
205.01555	3.7
213.12323	4.6
216.98108	4.0
217.05501	5.9
219.06483	3.6
234.98967	6.2
235.06592	15.6
253.07669	32.8
277.07718	25.6
293.07062	4.8
295.08722	27.1
303.05624	5.3
305.07291	12.0
307.04727	4.2
309.06467	3.3
311.08173	6.3
321.06638	6.4
323.08109	10.6
339.07639	3.4
349.06091	10.0
367.07080	20.6
367.10440	3.4
367.20270	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01637	0.1
55.01867	0.6
59.04982	0.1
60.43707	0.0
65.03928	0.1
65.82542	0.0
67.01853	0.1
68.99439	0.1
68.99747	0.4
69.03416	0.1
70.06581	0.1
70.95455	0.0
71.01354	0.1
71.49664	0.0
75.54713	0.0
79.01845	0.3
81.03406	0.1
86.09717	0.1
86.47136	0.0
91.05468	0.2
92.99773	0.1
93.03390	0.0
97.02884	1.3
99.00814	0.2
105.07002	0.0
109.02855	0.1
111.04423	0.0
119.04932	1.8
121.02858	4.0
123.00768	1.3
130.86453	0.0
131.04932	0.0
137.02330	0.7
141.01814	2.6
145.02850	0.1
147.00777	0.0
153.01767	0.2
155.03351	0.0
163.03922	0.2
165.01819	25.5
166.02139	0.2
175.03839	0.0
179.03323	0.1
181.06473	0.0
183.02875	5.5
187.03912	0.2
199.07297	0.0
203.03395	0.1
205.04733	0.0
213.05449	0.1
221.04521	0.0
227.06976	0.1
229.05052	0.1
241.04950	0.0
255.06467	0.3
271.06000	4.0
272.06396	0.1
279.06439	0.1
282.05267	0.1
283.05972	100.0
284.06305	1.8
293.07928	0.1
295.06094	0.2
297.07492	0.3
307.06390	0.0
311.08957	0.1
313.07150	0.1
321.07565	0.5
323.05637	0.1
325.07181	0.1
339.08597	0.1
349.07043	0.9
367.08087	4.5
368.08569	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	367.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08135	0.2
55.97021	0.2
70.46765	0.3
70.47121	0.5
81.86625	0.2
82.99868	0.3
101.00877	3.6
116.98818	0.4
119.01920	6.0
122.09899	0.2
122.97884	0.2
134.99886	0.6
137.02968	0.9
140.98799	1.0
145.36577	0.2
157.01947	0.2
158.99889	2.9
165.99716	0.3
173.41808	0.2
175.03030	0.3
177.00954	15.1
178.01044	0.5
182.99841	1.0
193.03970	0.3
201.00946	2.7
215.26648	0.2
216.98886	0.3
217.04085	2.6
219.02013	20.8
220.02190	0.9
225.00844	2.3
234.99982	0.4
236.00015	0.6
236.99850	0.3
240.98857	0.3
241.98927	0.3
242.03590	0.4
243.02002	9.5
244.02129	0.4
258.99976	1.2
260.00131	1.2
261.03064	100.0
262.03140	3.0
263.03241	0.6
265.99100	0.3
266.03653	0.3
277.01056	0.8
278.01163	0.7
279.00806	0.3
279.56958	0.2
282.99979	2.2
283.97137	0.3
284.00113	3.3
284.04660	1.4
284.99701	1.0
301.01016	2.4
302.01178	3.6
303.00912	1.2
326.01282	0.6
343.01712	0.6
344.02271	1.9
362.03564	0.4
363.51456	0.2
364.00964	0.3
364.51059	0.3
367.01971	0.6
385.03235	5.6
386.03476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71762	0.6
55.05485	1.1
60.04525	8.8
67.05511	3.7
69.03411	1.1
69.07071	3.3
70.06597	3.3
71.04990	6.8
71.49547	0.8
72.08137	1.5
79.05492	1.3
81.03419	1.1
81.07078	4.0
83.04986	0.6
84.08139	3.6
85.02868	0.9
85.06548	10.6
86.09708	31.0
91.05492	4.2
93.07028	1.3
95.08606	1.2
97.02876	2.1
101.29777	0.7
102.31751	0.7
105.07024	3.0
107.08572	2.8
109.06474	0.9
109.10145	5.0
110.07203	1.0
119.04933	2.5
120.08118	10.5
121.02908	3.4
123.00776	1.1
125.10767	0.7
129.10234	1.7
133.10121	9.7
133.78418	0.7
136.06181	1.5
137.02229	0.9
141.01823	1.9
151.11201	7.9
165.01840	20.9
166.08638	6.4
169.12236	8.5
173.12849	6.1
183.02879	5.1
187.13303	23.4
201.12337	4.8
207.11304	1.2
253.11845	7.2
271.05914	3.9
283.06018	100.0
297.07574	1.0
321.07416	0.8
347.67383	0.7
349.07193	0.8
366.06808	1.2
366.28482	2.4
367.08252	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	11.6
58.99566	19.5
66.08447	9.2
69.03418	12.2
70.06589	16.8
70.56252	30.1
70.56637	9.2
76.02209	38.3
84.04505	100.0
84.08147	71.9
85.02899	19.1
86.99040	9.3
87.91097	9.3
96.08125	30.3
97.02850	11.6
98.21478	10.9
99.02653	13.4
112.07594	8.8
116.01676	38.5
117.03703	18.6
120.01143	14.3
124.07593	21.1
130.05055	12.2
130.08626	70.4
134.02725	19.4
140.80759	9.9
142.03239	26.4
142.08643	21.2
146.05986	13.9
158.11760	28.1
159.71106	10.4
162.02177	28.8
168.06641	10.8
170.08093	81.3
179.04906	18.1
188.09193	38.1
204.12332	38.1
219.04271	31.2
220.06380	39.2
237.09003	13.0
245.05846	10.6
291.06488	19.9
330.95294	9.9
356.59613	9.5
356.75415	10.1
366.09760	10.5
366.17438	22.0
367.06741	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76306	1.7
53.03939	5.5
55.01866	6.0
55.05510	5.5
57.03432	9.2
60.04518	2.0
61.02922	5.7
62.46167	2.0
67.05479	2.3
68.99789	3.3
69.03088	3.3
69.03431	35.3
70.06592	11.9
71.04984	5.0
71.08704	4.0
72.08141	2.7
73.02925	7.2
76.04684	2.1
81.03416	26.6
81.07050	2.9
84.04502	2.9
84.08134	6.5
85.02906	100.0
86.09715	5.4
87.00840	40.5
91.05445	2.8
92.20079	1.8
93.07069	2.4
95.05006	2.4
97.02895	32.9
99.04442	15.0
105.01871	67.5
108.04474	2.3
109.02882	28.6
110.07189	5.2
120.08079	2.8
123.04455	5.4
127.03921	69.3
129.01871	2.2
129.10251	2.9
132.04494	2.1
132.08080	2.0
136.07558	2.2
145.04970	32.0
147.04439	3.8
159.02882	16.3
161.00870	6.0
165.01828	6.8
189.03993	4.4
213.03868	3.0
231.04993	17.7
249.06081	5.5
283.06064	23.2
295.11697	4.1
366.06635	2.5
367.07874	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	366.2023
Annotation	Leu Ser Phe
Peak:m/z	Relative Intensity
56.05029	0.4
57.05829	0.5
60.04225	0.9
60.04526	14.8
60.71440	0.4
67.05503	0.5
69.07071	10.4
70.02966	0.5
70.06593	1.3
70.23151	1.6
72.08157	1.1
76.58709	0.4
84.08167	0.6
86.09708	100.0
87.05608	0.5
87.10045	0.6
88.04026	0.5
95.08591	0.5
103.05518	1.1
110.07213	0.6
116.38044	0.5
120.08109	37.6
125.10797	0.8
128.10715	0.8
129.10201	0.4
131.04938	0.9
132.08058	0.5
138.09178	0.5
144.08090	1.2
149.06036	0.9
153.17230	0.5
155.11821	0.8
162.09154	0.7
165.01888	2.0
166.08646	25.6
173.12866	16.6
183.11279	0.9
189.10350	0.5
201.12341	19.7
207.11301	4.4
235.10814	2.0
246.48698	0.5
253.11838	28.4
283.06018	7.3
339.08783	1.7
366.06973	2.0
366.20251	0.5
367.08377	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.2
55.01832	1.5
57.03393	2.9
59.05002	0.5
60.04525	7.1
61.02894	1.6
64.10384	0.4
67.05461	1.1
68.04999	0.4
69.03429	9.1
69.07045	0.9
70.06588	3.2
71.01306	1.3
71.04993	2.5
71.49722	0.6
72.08147	0.5
73.02874	1.2
75.04482	0.4
79.05469	1.1
80.04985	0.4
81.03387	1.5
81.07011	1.4
84.08061	0.4
86.09698	2.2
91.05482	9.3
93.07008	0.6
95.08569	1.0
97.02853	0.5
97.36112	0.4
98.97552	1.3
99.04476	2.1
104.04959	0.4
105.06989	0.6
106.06542	2.5
107.08568	0.5
109.10099	0.4
110.97570	0.8
115.08666	0.5
116.04987	3.3
116.07079	0.5
117.05417	0.5
118.05288	2.8
118.06494	0.7
118.80480	0.4
120.08082	0.9
121.10125	0.5
123.04391	0.6
124.07590	0.5
128.98578	0.5
129.10213	0.5
130.06512	0.5
131.06015	1.6
132.06834	0.7
133.07620	8.7
134.05980	0.4
136.07503	0.5
139.03876	1.5
143.06062	2.4
144.06863	0.7
145.07610	13.2
146.08369	0.5
147.09145	1.9
157.07571	1.7
158.04718	1.1
158.08331	0.8
159.09142	1.3
161.07066	2.5
163.08662	13.6
170.08273	0.5
170.99641	0.6
171.05548	1.2
171.09152	1.0
173.07092	1.0
175.08650	4.2
176.09465	1.1
177.06619	2.4
183.09169	1.0
185.10742	0.8
187.08800	0.5
189.06586	8.2
189.10226	0.6
191.08212	0.8
199.08731	0.5
200.09439	1.4
201.10208	2.8
202.11172	0.5
203.08163	1.0
203.11868	0.6
205.09756	1.0
207.07649	100.0
208.07997	0.9
212.09457	0.6
213.10147	0.8
214.06146	0.6
215.08141	1.0
215.11813	0.9
217.09831	1.0
221.05960	0.4
229.09767	1.1
230.10481	0.7
231.01648	0.5
231.11278	1.1
232.07167	13.2
241.09740	0.6
243.11372	1.0
247.10762	0.6
249.02794	1.6
249.08664	0.5
249.12328	0.7
261.08694	0.7
261.12354	1.3
263.08527	4.4
269.09320	0.7
275.10269	0.8
279.13406	6.7
287.10312	1.5
291.04031	1.4
291.08218	0.4
305.11246	2.9
312.25482	0.6
323.12372	50.3
324.12863	0.9
330.26425	2.4
348.11923	4.6
348.27377	3.1
366.13010	50.9
366.28372	4.7
367.13257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.112
Annotation	7-(2'-Hydroxy-3'-chloroprenyloxy)-4,8-dimethoxyfuroquinoline
Peak:m/z	Relative Intensity
60.05632	0.6
70.06590	5.5
72.08136	0.7
86.09711	4.3
106.06533	0.8
113.30703	0.8
120.08109	1.7
124.02135	1.6
125.02954	1.5
130.06459	0.7
134.09648	3.8
152.06958	0.7
157.13335	1.7
164.05295	1.9
175.11942	1.5
176.05302	2.4
178.08632	2.0
182.08209	1.1
185.10745	5.4
185.12424	0.8
185.12848	0.7
186.11522	0.8
189.04842	0.7
190.07037	1.1
191.06355	1.3
201.09827	6.1
203.06302	1.4
215.08099	1.4
215.22346	0.6
217.07974	6.5
218.08626	1.6
228.04767	0.8
229.09807	0.7
230.10458	2.3
231.11292	3.5
234.04585	1.1
236.07463	1.5
237.06888	0.9
247.10834	1.6
249.06926	3.4
263.08502	90.1
264.08823	2.1
291.08014	1.0
307.88068	0.6
309.09073	0.8
320.10593	5.0
366.11206	100.0
367.11520	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.3
55.05515	22.5
57.03438	8.2
57.07068	4.6
67.05509	34.2
67.35576	1.6
69.03432	11.9
69.07068	54.6
69.16618	19.1
71.04980	1.8
71.08615	3.2
79.05493	21.0
81.03413	4.7
81.07056	24.1
83.04981	4.0
83.08633	9.1
85.06529	1.7
91.05482	14.1
93.07040	18.8
95.04964	7.6
95.08622	12.4
97.02894	15.1
97.06507	2.9
97.10172	13.6
100.57753	1.7
105.07028	14.1
107.04939	6.9
107.08596	17.2
109.06523	4.0
109.10149	14.1
117.07006	6.0
119.08603	11.7
121.06513	3.0
121.10138	5.8
123.08051	4.4
123.11702	2.3
125.09671	10.5
129.06978	2.3
131.08583	6.9
133.10104	6.9
135.08038	4.7
135.11725	5.9
137.09633	4.8
143.08501	5.8
145.10130	4.4
147.08047	2.8
147.11708	4.0
149.13289	2.7
157.10127	6.7
159.11690	7.0
161.13290	1.9
163.11183	2.8
165.09126	2.9
171.10196	1.6
171.11691	3.8
175.11267	2.0
175.14784	2.1
177.12793	2.5
185.13219	3.7
189.11171	4.8
203.05273	3.6
205.12241	3.3
223.11118	3.2
223.13258	31.2
245.19095	2.6
273.18530	12.5
283.04715	1.9
291.19540	100.0
292.19998	2.7
348.81155	1.9
365.10406	6.7
365.23340	23.3
365.31375	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	365.2476
Annotation	Quinestrol
Peak:m/z	Relative Intensity
55.01862	6.8
55.05505	22.8
57.03441	8.7
57.07075	6.5
59.05008	4.1
61.02905	3.3
65.03951	2.9
67.05510	40.1
69.03410	11.9
69.07060	27.2
71.04977	3.9
71.50109	3.7
79.05501	26.6
81.07061	36.3
83.04981	5.4
83.08604	9.5
85.06518	7.5
91.05482	41.3
93.07047	49.9
94.00060	3.2
95.04960	32.6
95.08616	32.0
97.02876	7.5
97.06526	7.3
97.10170	7.6
103.05421	3.7
105.07046	52.3
107.04932	3.3
107.08585	36.8
109.06507	11.0
109.10175	21.3
116.06176	3.6
117.07004	14.0
119.08581	44.5
121.06529	8.1
121.10136	23.3
122.24389	3.2
123.08080	10.7
123.11691	6.6
128.06184	9.0
129.07008	13.8
130.07863	3.3
131.08580	33.8
133.09192	5.5
133.10106	33.5
135.08029	11.9
135.11671	5.9
137.09642	6.5
141.06999	5.9
142.07777	13.3
143.08572	30.9
145.10120	37.4
147.08049	10.8
147.11659	11.7
149.09622	12.8
149.13260	6.1
151.11171	5.8
154.07761	5.0
155.08597	13.5
156.09366	8.4
157.10146	26.1
158.10936	5.4
159.08078	9.1
159.11710	13.7
161.09613	12.0
161.13225	5.8
161.45221	3.1
167.08585	9.9
168.09344	8.5
169.10120	20.4
171.11691	16.8
173.09627	7.4
173.13245	32.6
175.11169	6.9
177.12764	5.6
179.08560	7.9
180.09308	4.7
181.10126	14.6
182.10873	6.3
183.11682	22.3
185.13226	13.3
187.11151	3.8
187.14810	6.1
189.12766	5.2
191.14297	16.8
193.10017	7.8
194.10722	3.7
195.11653	22.6
197.13271	13.8
199.11172	4.6
199.14825	7.8
201.12758	9.4
207.11688	22.9
208.12416	7.9
209.13248	13.0
211.11212	4.9
211.14752	10.4
217.15974	4.2
220.12578	4.8
221.13176	9.6
223.13246	10.6
223.14970	8.7
225.12730	7.3
225.16319	8.0
227.14331	3.6
231.11613	3.5
233.13194	4.2
234.14015	5.6
235.14851	7.6
237.16437	6.5
239.17921	4.2
248.15535	4.3
249.16422	11.1
251.17978	5.8
253.15845	4.0
259.14786	5.0
263.17947	11.1
265.15918	4.7
265.19559	4.6
267.17374	7.7
269.18942	4.3
271.14789	4.7
273.18570	6.3
277.19589	4.2
281.18967	8.9
291.19720	36.6
297.18359	4.0
305.18787	5.5
305.22266	4.6
319.24088	4.8
347.23611	28.7
350.64706	3.7
365.10358	5.5
365.24753	100.0
365.28735	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01877	5.0
55.05512	24.8
57.03437	8.9
57.07064	1.4
59.04977	1.4
65.03949	1.4
67.05506	33.0
69.03432	15.2
69.07067	49.3
69.51398	1.0
71.04977	1.1
71.50742	1.2
77.50407	1.0
79.05491	23.6
81.03417	4.4
81.07051	22.9
83.04987	4.2
83.08618	10.0
85.06546	1.2
89.83180	1.0
91.05486	11.0
93.07041	17.1
95.04975	8.0
95.08611	12.9
97.02892	14.6
97.06532	3.9
97.10173	14.5
105.07028	11.4
107.04961	4.7
107.08595	13.1
109.02913	1.2
109.06556	3.3
109.10145	11.9
111.08096	2.4
117.07013	6.7
119.08569	9.7
121.06504	2.2
121.10098	5.3
123.08071	4.6
123.11684	2.1
125.09636	11.8
126.62872	1.0
127.07582	1.3
129.06990	2.0
131.08568	6.8
133.06433	1.9
133.10083	6.0
135.08040	4.3
135.11743	2.6
137.09564	3.4
143.08560	3.3
145.10150	4.7
146.93596	1.3
147.08073	2.9
147.11668	2.8
149.13251	3.5
151.09753	0.9
151.11168	1.8
157.10100	2.0
159.11729	4.4
161.13254	1.2
163.14780	1.3
165.09140	1.6
169.10172	1.0
171.10220	1.0
171.11699	2.4
173.13252	1.0
175.11263	1.3
177.12679	1.6
181.50302	1.2
185.13307	1.9
189.11240	7.0
189.12724	1.4
195.13820	2.1
205.12210	2.5
205.19263	1.0
223.13292	25.3
224.13585	1.1
273.18631	8.8
273.21368	1.6
291.19547	100.0
318.40756	1.0
365.10620	2.2
365.23236	30.3
365.31580	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01871	5.1
55.05281	1.4
55.05514	20.1
56.17343	0.8
57.03439	8.9
57.07073	1.0
63.76334	0.8
67.05137	1.2
67.05503	24.5
69.03431	10.6
69.07068	46.1
69.46396	4.4
69.46806	1.7
71.04980	2.3
71.08630	1.1
77.91782	0.9
79.05492	20.6
81.03403	4.6
81.07056	18.8
83.04961	3.3
83.08626	7.7
85.06521	0.9
88.03188	0.9
91.05477	12.2
93.07039	15.5
95.04996	5.9
95.08602	13.3
97.02316	1.0
97.02888	14.9
97.06522	3.5
97.10175	13.5
105.07033	9.5
107.04945	5.0
107.08589	12.5
109.06499	1.7
109.10149	9.6
111.08067	2.1
115.05460	1.2
117.07008	5.3
119.08578	9.2
121.06504	2.1
121.10159	5.1
123.04466	1.6
123.08029	3.6
123.11702	1.0
125.09637	9.2
128.06194	1.1
129.05467	1.1
129.06975	2.6
131.08511	4.5
133.06473	1.6
133.10138	6.0
135.08057	4.5
135.11668	3.1
137.09625	1.9
143.08588	2.9
145.10114	4.7
147.08047	3.7
147.11681	2.8
149.13246	4.1
153.09070	1.4
157.10121	3.0
159.11670	3.6
161.09639	1.0
161.13246	1.6
165.09105	3.2
168.88484	0.8
171.10179	1.6
171.11674	2.8
173.13243	1.6
175.11180	1.6
177.12688	1.6
178.02104	0.9
179.10750	1.3
185.13203	2.7
187.14780	1.2
189.11159	6.0
195.11737	1.0
195.13734	3.1
203.05186	1.6
205.12131	2.8
223.13283	27.5
245.18983	2.4
249.14938	1.6
255.17439	0.9
263.20157	1.1
266.92325	0.9
273.18463	10.5
291.19531	100.0
292.19830	3.1
365.10565	2.6
365.23239	27.0
365.31409	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01870	6.7
55.05513	33.3
56.96550	1.4
57.03163	1.0
57.03439	12.7
59.04996	1.0
61.02923	1.3
65.03944	1.0
67.05506	37.8
69.03084	1.4
69.03428	17.8
69.07071	42.3
69.34674	0.7
69.84494	3.9
70.06590	1.7
71.04986	3.8
71.60119	0.8
71.86800	0.7
73.02920	1.1
79.05495	31.5
81.03413	9.0
81.06601	1.7
81.07059	29.2
83.04985	4.3
83.08619	12.5
84.08168	1.1
85.02888	2.2
85.06539	2.1
91.03962	0.8
91.05486	19.1
93.07049	23.0
95.04973	9.0
95.08607	13.8
97.02895	20.8
97.06532	4.9
97.10175	18.6
103.05466	1.0
105.07032	13.8
106.13535	0.9
107.04949	6.7
107.08599	18.6
109.02848	1.4
109.06503	3.7
109.09479	1.1
109.10155	10.8
111.04422	1.5
111.08078	2.2
111.33968	0.8
115.05478	1.6
117.04360	0.8
117.07020	6.9
119.04988	1.5
119.08585	14.1
121.06502	3.1
121.10144	5.5
123.04430	1.2
123.07310	0.8
123.08066	5.2
123.11741	1.0
125.09647	13.7
129.07002	3.1
129.23135	0.9
131.08559	8.1
133.06479	2.4
133.10132	5.7
135.08037	5.3
135.11664	3.5
137.09622	4.0
143.08537	3.7
145.06444	1.0
145.10138	7.8
147.08072	5.0
147.11674	2.9
149.09631	2.3
149.13208	1.7
153.09116	0.9
157.10115	3.6
159.08031	0.9
159.11726	4.8
161.09636	3.1
161.13278	1.1
163.11165	3.2
165.09148	2.3
169.10185	1.0
171.10257	1.2
171.11655	1.9
173.13231	1.0
175.11142	2.5
177.12740	2.7
185.13336	1.6
189.11256	7.8
193.12265	1.2
195.11786	1.1
195.13828	1.8
205.12288	3.2
223.13284	33.5
223.15480	1.6
227.12666	1.0
227.17879	1.2
245.19057	2.2
249.14824	2.0
255.17294	1.6
261.14828	0.9
263.20197	1.3
267.09079	3.7
269.10526	1.0
273.18478	13.2
285.09985	2.7
286.10742	1.0
291.19547	100.0
292.19897	1.9
301.13513	1.0
347.22165	1.3
365.06534	1.0
365.10669	1.6
365.23221	38.5
365.33240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.7
55.01878	16.2
55.05513	33.1
56.77753	2.9
56.96563	7.8
57.03443	32.3
57.07081	5.4
57.13507	3.1
61.02915	4.6
63.67323	2.9
63.89696	3.3
64.91241	3.0
65.03941	6.4
66.81126	3.4
67.05507	100.0
69.03417	14.4
69.07066	34.0
69.21745	9.1
69.22164	24.4
70.06590	10.3
71.04992	10.9
73.02894	4.5
79.05067	6.8
79.05494	73.9
79.28477	3.8
81.03425	17.5
81.07062	99.9
83.04993	18.9
83.08622	17.2
84.08179	4.5
85.02914	7.3
85.06533	7.5
85.74712	3.2
91.05486	94.1
93.07047	72.0
95.04974	24.9
95.08618	36.9
97.02883	6.5
97.06544	14.3
97.10165	4.5
98.20704	7.6
105.07040	77.5
107.04977	24.4
107.08591	47.0
107.67415	3.9
109.06542	18.4
109.10174	46.1
109.94183	3.8
111.04469	6.8
111.08110	15.2
113.06001	4.8
114.31644	3.9
117.07030	16.0
119.08584	36.3
121.06509	11.5
121.10126	17.8
123.04422	4.0
123.08107	5.1
123.11711	11.7
125.06021	5.5
128.06230	3.4
128.96291	3.3
129.06976	8.0
129.89288	3.5
131.08578	26.5
133.06474	16.3
133.10133	75.4
135.08015	19.2
135.11687	15.0
137.09628	8.3
139.07585	3.7
142.07762	3.9
143.08580	13.0
145.10144	12.4
147.08058	6.5
147.11671	8.9
149.09627	26.9
149.13243	6.0
151.11176	40.3
157.10117	10.6
159.08038	9.2
159.11743	6.7
161.09648	17.0
163.07501	5.2
163.11189	9.2
165.09157	5.1
167.10661	4.3
169.12280	10.3
171.11655	8.8
173.09689	4.1
173.13240	3.6
175.11177	8.3
177.09126	9.4
177.12675	5.2
179.49359	3.3
185.13264	5.0
189.12790	3.9
195.13692	4.4
227.17938	6.3
227.26732	3.3
231.09099	4.4
245.19031	12.1
251.12849	4.5
253.14363	23.8
263.20084	8.7
267.09061	15.5
269.10611	13.0
269.13730	3.9
273.18533	41.8
285.10120	15.3
291.19598	30.4
303.30060	3.7
347.22247	7.9
357.08728	3.4
365.10455	5.0
365.23221	57.9
365.33398	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01873	10.4
55.05514	34.5
56.96561	1.6
57.03201	1.5
57.03437	17.9
61.02905	2.4
65.03934	1.8
67.05506	45.2
69.03436	15.4
69.07068	45.9
69.46303	1.3
70.06570	2.9
71.04973	4.3
71.49448	1.4
73.02911	1.9
79.05078	2.2
79.05495	37.2
81.03419	7.2
81.06605	2.4
81.07053	37.9
83.04980	9.8
83.08626	13.5
84.08156	2.5
85.02889	2.1
85.06526	2.0
86.06046	1.7
91.05479	32.9
93.07040	29.3
94.04173	1.5
95.04964	13.0
95.08605	19.2
97.02895	20.7
97.06523	4.9
97.10166	18.3
99.04428	2.3
105.06394	2.1
105.07032	21.8
107.04961	14.1
107.08595	22.8
109.06515	5.1
109.10138	15.3
111.04463	1.6
111.08099	3.3
117.07015	11.3
119.04887	1.5
119.08588	17.3
121.06495	4.5
121.10144	9.2
123.08051	6.2
123.11725	3.7
125.09641	15.1
128.06200	1.4
129.06993	4.5
129.10202	1.7
131.08568	11.1
133.06494	3.8
133.10117	18.4
135.08067	7.1
135.11700	3.4
137.09581	5.9
139.07570	1.5
141.07054	1.5
142.07817	1.8
143.08556	5.2
145.10133	10.6
147.08058	8.2
147.11659	6.2
149.09601	5.3
149.13193	2.4
151.11192	7.2
151.12233	1.3
153.09116	1.7
157.10104	4.6
159.08064	2.9
159.11665	4.9
161.09593	6.2
163.11183	3.1
165.09116	4.4
169.12215	1.7
171.11757	2.5
173.13196	1.4
175.11220	4.6
177.09081	1.7
177.12718	1.8
185.13277	2.3
187.11137	1.5
189.11261	6.7
189.12686	2.2
193.12151	1.5
195.13956	1.6
205.12273	3.1
223.13310	31.1
227.12686	1.4
227.17949	2.5
240.93163	1.5
245.18985	3.1
249.14859	1.4
255.17517	1.6
263.20007	1.9
267.08862	2.0
273.15512	1.9
273.18466	22.6
283.06430	1.4
285.10013	2.2
291.19543	100.0
292.19742	3.2
347.22711	1.7
365.06570	1.6
365.10583	2.0
365.23141	43.5
366.23337	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92571	0.8
56.74466	0.7
58.34343	0.7
59.33949	0.7
60.26691	0.8
70.34067	2.9
70.66078	0.7
83.52762	0.7
85.29244	0.7
92.81987	0.7
106.88360	0.9
137.28285	0.8
164.43597	0.7
172.87318	0.7
185.04224	26.5
203.05287	55.6
204.05557	0.9
365.10565	100.0
366.10876	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39499	0.4
71.27319	1.1
77.31091	0.4
152.90096	0.5
178.46042	0.4
185.04216	26.8
203.05267	51.9
365.10556	100.0
366.10910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	3.0
60.04503	1.5
69.03429	1.1
69.04555	5.0
70.06595	0.9
70.84184	1.1
70.84532	1.6
81.03402	0.9
84.04488	1.4
84.08155	1.0
85.02872	3.4
85.03978	0.8
97.02873	1.5
101.00868	1.1
101.07092	3.6
116.03447	1.4
120.08102	0.9
127.05044	1.2
130.06528	100.0
131.06779	1.0
132.04456	22.2
132.08052	2.0
145.06038	2.4
146.05988	4.3
155.06027	1.7
156.10187	1.2
157.06154	2.0
157.07597	19.7
158.04811	1.3
158.06013	17.1
158.97282	0.9
159.09161	3.9
169.07552	2.4
173.05666	1.1
173.07045	5.5
174.05450	3.6
175.08623	8.3
181.07617	4.0
185.04250	9.8
185.07065	6.6
186.05563	2.0
187.08594	2.5
197.05573	0.9
197.07147	6.2
198.10223	1.4
199.08585	2.6
202.04910	1.4
202.08170	1.9
203.03467	1.4
203.05269	20.5
203.08128	19.2
213.06516	1.1
214.08089	2.2
214.09915	1.8
215.08167	4.0
216.11186	1.7
216.18567	0.9
221.09366	0.9
225.06587	10.0
231.07570	1.2
232.10846	11.6
234.98932	2.3
242.09219	5.0
243.07651	29.2
260.08200	0.9
260.10318	9.3
275.05988	0.8
290.11426	3.8
305.03076	1.1
305.10812	1.0
318.10687	1.3
329.12317	2.8
330.10971	4.6
347.13354	5.4
348.10641	1.2
357.99908	0.8
358.15143	0.8
365.05872	1.8
365.10342	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	364.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64187	1.0
55.05492	1.0
60.04507	0.9
65.11326	0.7
67.05475	0.9
68.05016	1.2
70.06573	3.4
70.98835	1.7
72.08144	2.3
78.50115	0.8
81.07065	1.0
84.08123	2.7
86.09711	2.7
91.05476	1.3
95.08614	1.1
103.05447	1.5
104.72994	0.8
106.06539	1.6
115.05460	1.3
117.05771	0.9
117.07001	1.9
118.06535	7.4
120.08093	1.8
129.06998	6.5
129.10240	1.1
130.06529	100.0
131.06824	0.8
132.08095	8.8
136.07535	1.3
142.06487	3.6
143.07237	2.3
144.08089	65.3
145.08395	1.6
154.06528	3.8
156.08092	21.8
158.09650	8.7
159.09154	1.0
160.07542	2.3
161.29994	0.8
167.07314	1.7
168.08089	13.0
170.09650	2.9
171.09169	12.5
172.07562	9.3
173.10736	3.3
174.09109	2.7
175.12315	18.8
180.08009	4.8
182.09599	1.0
186.09129	5.4
190.08629	6.9
199.12282	2.1
202.08597	3.1
204.10191	16.2
211.12289	2.4
216.10182	0.9
229.13303	2.1
247.14319	1.8
254.09677	0.8
256.09915	4.1
257.10739	10.2
258.11557	2.2
259.12329	3.1
260.25955	0.8
269.10721	11.5
270.11588	5.2
271.12271	19.8
272.12952	3.5
273.11688	0.8
273.13937	9.3
281.10764	1.4
282.11514	5.2
283.12311	1.9
284.13000	1.0
285.13873	20.0
287.15466	1.3
289.13303	4.4
297.13867	14.6
297.65451	0.9
303.14874	3.0
303.17950	0.8
304.18399	0.9
315.14886	4.8
328.18106	9.6
333.15961	47.3
334.16177	0.9
346.19171	1.0
364.20285	5.8
364.24805	1.1
365.06519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.6
57.07076	100.0
59.04995	12.4
64.58621	4.4
67.05506	11.0
69.07056	7.1
71.08633	82.6
73.02921	45.6
79.05491	7.8
81.07039	8.2
85.10188	62.0
89.06021	18.0
93.01054	4.1
93.07078	4.8
95.08599	8.6
109.21424	4.6
119.08566	5.2
122.72181	3.8
151.07526	15.3
151.09647	12.1
152.07883	8.5
155.17896	4.5
159.11746	4.9
199.96577	4.1
213.22046	4.1
229.02142	4.7
267.03284	4.0
364.23477	9.9
365.25061	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	363.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54069	2.5
53.03944	6.6
55.01871	15.1
55.05516	83.6
55.69531	2.4
57.03434	15.2
59.04999	3.8
65.03932	4.4
67.05510	50.4
69.03436	14.1
69.07066	14.4
69.53673	2.8
70.06593	6.1
71.04995	3.8
71.11286	5.2
79.05495	52.7
81.03427	4.8
81.07059	37.2
83.04989	10.1
83.08622	34.6
85.02921	3.7
86.09747	2.8
91.05487	76.7
93.07044	34.1
94.07418	2.8
95.04979	12.3
95.08612	10.7
97.06590	3.1
97.10177	77.1
98.21294	3.9
103.05457	3.2
105.07032	19.8
107.04950	9.3
107.08602	39.6
109.06535	6.3
109.10168	14.8
113.15973	2.8
115.05474	9.0
117.07011	33.0
119.08590	100.0
121.06564	14.4
121.10194	6.3
123.08070	4.7
125.09637	82.2
128.06265	2.9
129.07024	5.9
131.04971	2.8
131.08566	16.4
133.10158	6.2
135.08084	23.5
137.09573	4.8
142.07747	2.6
143.08572	9.1
143.10681	5.1
145.06490	37.7
145.10156	8.6
147.08028	11.2
147.11694	4.6
153.09119	10.8
155.08565	5.8
157.10118	6.6
159.08076	21.5
159.11720	3.4
161.09656	6.8
163.07544	9.4
167.07027	13.2
169.10143	3.2
171.10219	7.2
171.11690	3.3
173.09657	6.9
175.11256	4.0
183.11699	4.0
189.11218	69.3
197.13261	3.1
225.16432	3.9
227.12813	6.6
243.17519	4.9
253.15874	4.2
271.16956	44.2
286.34018	2.7
289.17981	21.0
345.20859	12.2
363.21713	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	363.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53316	1.0
55.05507	3.1
57.03429	1.1
57.07077	100.0
59.05006	35.1
66.51041	1.1
67.05489	1.5
69.07061	2.6
71.08634	89.8
81.07049	2.3
83.08623	3.8
85.10186	84.1
89.06030	17.1
95.08658	1.9
97.10189	2.4
99.11730	9.4
101.09631	1.5
103.07574	1.5
107.01341	1.1
107.07051	4.9
107.08675	1.5
109.28392	1.3
117.09132	7.5
119.08580	2.1
125.09531	1.3
129.01823	1.2
133.08540	1.9
141.16367	3.6
147.10106	3.2
151.09653	2.2
165.11203	1.9
199.20596	4.5
257.24869	2.0
322.14194	1.2
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
51.36263	3.2
55.05500	3.6
57.03441	4.2
57.07077	100.0
59.05005	21.6
67.05486	4.0
69.07064	6.3
69.33046	2.9
71.08636	71.9
71.49879	4.8
71.50261	4.7
72.08189	14.4
73.27671	2.8
75.04466	7.3
78.06380	3.1
79.05497	3.8
81.07076	3.1
85.10184	63.3
86.09704	4.5
91.05477	4.2
95.08549	4.6
97.06523	4.6
97.10181	3.3
99.11726	13.7
105.07043	4.1
113.13278	5.3
115.07561	27.8
117.09123	4.2
133.08633	3.4
155.17957	4.1
213.22038	4.9
362.30734	5.2
363.30139	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.7
55.01828	0.5
55.05466	0.4
57.02400	0.5
67.05441	1.9
67.30604	0.4
67.32335	0.3
69.03392	0.8
69.06999	1.3
69.98068	1.4
70.06535	0.9
70.57428	0.3
79.05492	12.9
79.05914	0.6
81.03416	7.8
81.07008	0.9
84.08102	0.5
84.86383	0.3
85.02853	0.6
85.46843	0.3
86.09650	0.5
91.05478	4.4
91.88509	0.4
93.07043	3.1
95.04967	5.1
95.08571	0.5
97.02823	0.4
97.06470	0.6
97.85648	0.3
103.05462	0.4
105.07022	4.0
107.04892	0.7
107.08591	9.0
117.07017	2.0
119.08588	2.6
121.02849	2.8
121.05695	0.5
121.06495	6.7
123.04397	0.7
123.08022	0.5
128.06163	0.7
129.06938	1.4
131.04895	1.0
131.08571	2.2
133.06416	1.1
133.10143	4.3
134.94325	0.3
137.05884	0.5
141.06931	1.1
142.07703	0.6
143.08574	3.7
145.06496	2.3
145.10136	2.4
147.04338	1.0
147.08037	0.8
149.05980	2.0
151.07436	1.0
154.07706	0.4
155.08478	1.2
157.06419	0.7
157.10144	2.6
159.08064	4.0
159.11620	1.1
161.05984	13.8
161.09616	22.9
165.06985	0.5
167.07182	0.6
167.08539	3.9
169.06474	0.5
169.10059	1.5
171.07968	1.4
173.09531	0.8
175.07555	0.6
177.09134	0.8
179.08575	0.8
181.10045	1.3
182.10779	0.4
183.07961	1.1
183.11655	1.1
185.08295	0.4
185.09619	4.6
187.11101	0.7
189.08971	0.4
192.09326	1.1
193.10100	0.6
195.07965	1.0
196.08640	0.4
197.09557	1.0
197.13211	1.1
197.30878	0.4
199.07487	0.4
199.11089	0.5
203.10600	1.7
205.08519	0.8
207.11623	2.3
209.09561	1.1
209.13223	1.0
211.11145	1.7
213.08963	0.3
220.08772	0.9
225.12738	5.6
226.18269	0.3
227.14313	0.9
229.52960	0.4
231.10104	1.6
235.11201	3.8
237.12775	2.5
249.11211	5.7
253.12253	6.3
255.13750	1.4
271.10376	0.4
271.13293	10.1
277.10757	0.8
281.11700	4.1
295.11728	0.8
299.09332	0.9
299.12769	16.4
300.13052	0.8
317.13831	100.0
318.14313	2.1
345.13336	2.0
350.05310	0.4
362.16000	19.1
363.15909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
57.03419	0.8
58.08578	0.7
58.24778	0.8
61.02916	1.4
67.05499	1.0
69.03429	7.2
69.07073	1.7
70.06580	1.9
71.04086	0.7
71.22846	1.6
72.08164	0.7
73.02879	1.1
73.47865	0.6
78.89686	0.7
81.03407	2.3
81.07018	0.8
84.08150	1.1
85.02908	13.6
86.09711	7.8
87.04453	1.6
91.05463	1.7
93.07032	2.6
94.06585	4.9
95.04936	1.0
97.02895	4.5
100.02506	0.7
108.08121	6.1
109.02849	1.4
109.06516	1.3
110.06033	2.9
112.03945	1.5
112.07597	1.0
118.86800	0.8
120.08136	0.8
122.05176	1.2
122.06029	18.7
123.04427	4.4
127.03898	2.0
136.06531	1.0
136.07584	18.6
138.09149	1.9
139.07541	1.1
140.07063	23.2
142.61455	0.7
145.04941	2.2
154.08626	13.2
164.07039	4.9
165.05453	3.4
180.09024	0.9
182.08136	20.1
182.09761	1.0
200.09181	100.0
201.09515	1.4
201.12381	4.3
208.08412	1.9
212.07640	0.8
215.13884	1.1
229.11636	0.8
235.07547	1.1
236.07904	2.2
240.07349	2.0
253.10440	2.1
272.59277	0.7
282.08478	2.3
298.12698	1.6
299.11026	3.0
327.10718	0.9
344.13211	2.4
362.14343	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	362.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
59.05485	0.9
66.37573	1.0
69.03421	2.0
70.06573	4.0
70.40350	2.4
70.40713	2.2
74.02415	1.4
75.97477	1.2
83.04967	1.5
84.04517	1.4
84.08144	2.5
84.47690	1.1
85.02908	3.7
86.09701	5.8
87.10104	1.0
89.03912	1.6
91.05510	1.9
93.07043	2.3
95.04967	12.4
97.02905	1.7
104.05317	1.0
111.04404	1.3
112.07529	1.0
114.05501	1.1
117.03365	1.8
121.06517	3.1
122.06026	1.4
123.04430	100.0
124.04796	1.5
127.03897	2.9
135.04393	3.9
136.07611	1.5
137.05957	1.3
140.07054	1.8
154.08612	1.4
154.12195	1.7
163.03966	5.2
165.05484	65.1
166.73491	1.2
182.08081	4.5
200.09190	4.9
200.12825	4.5
201.12325	2.3
201.60666	1.1
207.09848	1.2
219.11189	1.1
236.07735	1.3
240.32301	1.2
299.11243	1.4
308.11163	1.3
344.13379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55269	1.6
53.03939	3.3
55.01868	3.2
61.90609	1.5
65.03949	3.4
69.03433	2.5
70.06573	6.9
71.05004	2.7
72.08169	2.1
77.03876	2.0
79.05505	15.8
81.03412	2.8
81.07040	6.8
83.04993	2.3
84.08118	4.6
85.02885	1.7
86.09690	5.3
91.05484	29.3
93.07058	11.6
95.04963	7.8
95.08611	3.6
98.21515	5.0
98.35505	1.7
103.05478	15.2
105.07037	14.5
107.04960	31.9
107.08613	2.2
109.02890	1.7
109.06488	3.4
109.10202	2.8
115.05431	2.9
117.07001	5.7
118.04079	1.9
119.04929	7.1
119.08603	3.8
120.08089	3.9
121.06504	20.1
122.03631	2.7
123.04404	10.2
123.08059	2.1
124.05209	3.7
125.05941	3.3
125.09624	2.2
128.06233	9.2
129.07018	26.8
131.04930	12.2
131.08557	10.8
133.02795	2.8
133.06488	5.3
135.04417	2.8
135.08031	6.6
137.05981	19.5
138.06729	2.6
141.07031	2.1
144.05699	2.2
145.06493	7.5
146.03664	2.6
146.07269	4.8
147.04385	7.4
147.08044	4.4
148.05173	4.7
149.05968	8.7
151.03894	6.4
151.07542	16.8
152.04677	2.9
153.05473	14.5
155.06007	3.0
155.07124	2.2
155.08463	2.3
156.05740	2.3
157.06474	19.4
159.08080	3.6
161.05988	39.9
161.09593	13.3
163.07555	23.9
165.05576	4.5
165.07022	9.9
165.09061	11.8
166.06311	9.9
166.07516	2.5
167.07056	70.9
167.08508	4.7
169.10049	3.2
171.08063	2.5
172.04979	2.1
174.06772	12.1
175.07523	8.7
177.06967	2.1
177.09145	9.1
179.07036	3.9
179.08543	4.7
181.06647	5.5
181.08594	100.0
182.07306	7.7
183.08026	4.3
187.03879	4.2
189.09102	80.1
191.08623	2.0
191.10654	3.9
193.06496	3.7
194.07233	4.3
195.08034	13.7
197.05937	2.0
197.09639	9.9
201.08978	2.0
203.10815	4.1
207.08084	6.4
207.10190	21.3
208.08812	4.9
209.05975	3.2
209.09776	2.4
210.06821	5.7
211.07541	4.9
213.09010	2.4
215.03299	2.5
219.08011	6.1
219.09979	2.6
221.05940	5.2
222.06741	2.8
223.07582	7.8
223.11049	2.0
224.08322	2.7
225.09137	16.1
227.06996	7.9
229.12213	2.8
235.07538	5.7
237.09146	4.6
238.06343	2.9
239.07040	4.3
239.10718	3.9
240.07829	5.4
240.66615	1.9
241.08578	3.3
242.09338	3.6
243.02872	7.4
247.07535	3.2
251.07098	4.4
251.10689	8.8
253.06087	2.5
253.08551	17.0
254.09315	3.3
255.06491	3.0
255.10222	6.1
257.11737	17.0
259.09702	1.8
261.04037	1.9
265.08716	2.5
267.10223	3.3
268.07208	2.7
269.08051	3.1
270.08804	4.7
271.13373	4.7
279.10181	6.2
281.08170	3.1
283.09659	15.3
283.13327	10.1
285.11160	35.0
297.11514	3.1
299.09256	3.2
299.12817	5.0
301.14380	2.2
302.11462	2.6
311.12729	7.6
315.12183	17.2
317.13947	17.9
329.13730	3.1
331.15463	2.7
333.07516	4.8
343.15466	9.6
361.07089	22.4
361.16852	11.1
361.24927	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64200	3.9
55.05516	6.0
56.64185	3.9
58.92424	3.4
59.08322	3.0
62.60463	3.7
67.05508	10.5
68.80767	3.8
69.03445	6.7
69.07058	7.6
70.06585	11.2
71.04977	6.6
71.49319	3.7
71.49692	5.5
72.08167	3.9
79.05491	22.5
81.03407	4.5
81.07050	14.8
83.04980	5.1
84.08140	10.6
85.02899	5.4
85.06557	4.8
86.09691	15.9
91.05493	32.6
93.07035	24.1
95.04971	10.8
95.08623	8.2
103.05479	15.2
105.03414	4.6
105.07040	14.8
107.04971	37.5
107.08610	9.4
109.02910	5.2
109.06518	6.8
109.10175	6.6
110.07124	4.0
115.05498	8.0
119.04959	5.2
119.08561	8.1
120.08119	6.6
121.06503	30.2
121.10172	5.1
123.04441	11.5
123.08089	4.9
128.06221	8.2
128.87535	3.7
129.07022	34.5
131.04926	13.1
131.08586	13.0
133.06491	4.3
135.04372	5.8
135.08066	10.2
137.05983	26.0
145.06505	7.4
147.04359	4.2
148.05212	3.6
149.06059	7.7
151.03896	9.6
151.07520	27.2
153.05475	10.6
157.06503	18.0
159.11789	4.6
161.06004	33.9
161.09634	12.3
163.07574	23.9
165.05585	8.8
165.07004	11.1
165.09138	11.6
166.06252	12.3
167.07068	74.4
167.08475	8.7
169.09923	5.3
174.06752	16.3
175.07596	5.1
177.05429	4.5
177.09113	10.7
178.07881	4.4
179.07047	5.2
179.08548	9.8
181.05026	5.0
181.06447	5.7
181.06754	6.3
181.08591	100.0
182.07326	8.4
185.08177	4.8
187.07668	5.9
189.09103	86.1
191.10796	4.5
194.07152	4.0
195.08083	7.8
197.09657	10.5
207.08307	5.3
207.10011	19.8
208.08917	5.1
210.06813	8.2
211.07590	5.6
219.08090	8.3
221.06006	6.9
223.07556	9.2
223.11250	5.5
225.09073	16.6
227.07066	7.5
235.07510	4.5
237.09178	6.2
239.07007	6.4
240.07991	5.8
241.08722	4.5
251.07066	5.8
251.10725	5.0
253.08566	18.2
255.10298	5.0
257.08444	4.2
257.11649	22.5
269.08105	7.2
279.10172	8.8
283.09677	13.6
283.13293	10.2
285.11127	42.2
299.09338	4.9
299.12521	5.7
301.11182	6.1
311.12784	8.3
315.12357	20.1
317.13892	22.5
329.10684	5.8
343.15298	9.3
361.06909	11.1
361.16132	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1396
Annotation	Nitrendipine
Peak:m/z	Relative Intensity
52.25686	0.7
55.01883	1.2
55.05515	1.3
56.05038	1.0
57.03431	1.0
65.03937	3.0
67.05508	3.1
68.99802	2.5
69.07067	3.3
70.06597	4.1
71.23405	1.7
72.08137	1.4
79.05505	3.4
80.05015	1.8
81.03414	1.6
81.07063	4.2
82.06586	1.6
83.04990	1.3
84.08147	3.0
85.02906	1.3
85.06549	1.0
86.09713	4.6
91.05480	4.9
92.05003	5.9
93.05794	0.8
93.07051	2.8
94.06582	4.6
95.04964	2.8
95.08609	1.3
96.08109	1.0
97.02857	1.2
97.06556	1.6
103.05450	1.2
104.04990	2.1
105.07046	1.9
107.04945	4.3
107.08614	1.2
109.06527	1.3
109.10129	1.2
110.06052	2.1
110.07178	0.9
110.09727	1.4
112.07623	1.9
117.07042	1.1
117.91096	0.8
118.06526	0.9
119.04951	1.6
119.08608	1.5
120.04465	7.8
120.08105	3.7
121.06528	1.4
121.10129	1.2
122.06030	11.2
123.04436	3.7
124.07601	9.7
128.06273	1.2
129.07018	1.7
129.10233	1.9
130.06534	1.8
131.04922	1.6
131.56657	0.8
132.04475	2.3
133.05234	2.0
133.10126	1.4
135.04428	5.5
136.07568	2.0
137.05959	1.8
138.05505	6.9
138.09145	3.8
140.07083	9.5
141.07857	1.0
141.10260	0.9
142.08641	34.2
145.02756	0.8
147.04428	1.4
151.03882	1.4
151.07564	1.4
154.08585	1.7
157.06548	1.6
159.09247	1.0
160.03969	2.4
161.04736	21.9
161.06012	1.8
161.09576	1.1
162.05539	8.1
163.07623	1.7
163.14821	0.9
165.05525	1.5
166.04959	1.3
167.07048	4.6
179.07086	0.9
181.08627	3.1
187.03886	1.8
188.03427	100.0
188.10683	1.3
189.04115	2.0
189.09135	3.2
190.05037	2.3
191.07091	1.0
203.08325	1.0
206.04497	29.6
207.10249	1.0
208.06134	2.3
214.08540	1.8
216.10255	1.9
220.06027	7.4
228.10143	1.3
233.12915	1.7
242.08173	2.1
243.02975	3.3
243.11372	1.4
256.09705	2.5
257.10556	1.1
261.04001	1.7
261.12341	8.9
279.13480	3.2
284.09167	3.4
285.11954	1.6
287.10291	1.3
301.11670	3.0
305.08069	1.5
305.11346	2.6
311.10272	2.9
319.12863	1.4
329.11343	66.8
330.11435	1.7
333.07614	2.8
343.12537	1.0
347.12305	5.3
361.07086	15.7
361.13773	2.0
361.18176	9.3
361.22656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.5
55.51536	3.8
57.03427	11.1
61.02925	7.4
61.12686	4.0
62.28792	3.8
64.66953	3.3
64.92296	3.2
69.03434	43.7
70.06595	14.2
70.21281	15.2
73.02916	12.7
81.03404	8.7
85.02909	100.0
86.09672	4.7
87.04456	4.7
96.06167	3.9
97.02895	39.7
99.04460	5.8
101.02379	8.7
105.41407	3.8
107.04935	3.4
109.02864	8.4
114.05528	3.7
119.01926	7.4
127.03918	71.3
145.04970	60.0
163.03932	6.6
163.06041	13.0
166.11440	3.6
167.08159	5.0
181.47589	3.9
190.54109	5.1
195.21611	4.1
198.07390	4.4
199.02118	14.8
340.84894	4.2
360.08789	23.4
360.12976	6.5
361.07437	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	361.074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68430	2.5
56.05012	5.1
69.55154	7.5
69.55566	8.0
70.06589	11.0
72.08141	11.3
84.08163	18.0
86.09706	11.0
88.04003	3.4
123.05516	4.8
129.10210	6.0
130.04990	2.8
130.08611	10.6
142.08633	3.3
147.11308	4.3
150.15428	2.5
152.06943	3.5
160.53909	2.5
182.04634	3.2
185.04243	6.4
187.10765	3.9
198.07359	3.6
199.02165	23.5
211.07289	2.9
228.13449	2.5
253.81946	2.6
254.11864	2.6
315.13516	5.3
334.02292	3.4
343.13437	3.6
361.07379	100.0
361.12125	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1394
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
50.04887	1.1
55.01864	1.6
70.06591	1.4
70.54507	4.4
84.08177	1.7
86.09699	3.6
98.20900	1.3
118.36788	1.2
135.44432	1.3
136.07581	1.3
140.77264	1.3
141.06917	1.3
153.06973	1.7
165.07033	9.8
167.08481	1.6
169.06435	3.7
178.07834	3.0
179.08553	20.7
181.06552	2.8
183.08040	25.1
189.06964	2.9
191.08524	2.8
193.06453	4.7
193.07910	2.3
194.07246	4.9
195.08096	2.7
197.05989	2.0
200.09224	3.9
207.08078	55.7
208.08626	1.5
209.09604	5.7
210.09167	10.2
211.07524	16.7
217.06464	7.4
219.08104	2.0
221.05867	10.6
223.07541	3.5
234.09048	1.5
235.07549	100.0
236.08157	1.7
236.10661	2.3
237.09120	9.5
238.08603	3.8
239.04564	2.1
239.07045	67.6
252.10210	74.0
253.08530	3.0
254.12012	1.9
263.07062	10.2
265.08658	1.6
267.06604	1.6
280.09683	12.5
281.08109	51.2
284.09128	5.5
297.12366	45.3
298.10736	73.1
300.12460	1.4
315.13452	15.7
316.11911	1.3
326.10117	11.5
327.08560	4.3
343.12912	50.1
344.11475	3.8
361.13998	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	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
67.05493	1.0
68.99770	1.3
69.03426	0.5
70.06590	3.1
70.27129	0.8
70.27515	1.4
76.73208	0.5
79.05471	0.6
81.07040	1.0
83.01314	0.9
91.05475	1.3
93.07039	1.0
95.04969	2.1
95.08617	1.1
103.05412	0.5
105.07031	1.4
107.04951	1.0
107.08580	1.5
117.07010	2.3
119.04913	1.5
119.08589	0.6
121.06537	3.6
123.04434	22.4
135.04393	2.2
135.08064	3.3
136.07574	1.8
137.05998	1.1
139.03830	0.8
145.06459	3.4
147.04420	6.7
149.05971	2.6
151.03908	2.1
157.06551	1.3
161.05948	1.7
163.03931	1.5
163.07561	12.1
165.05455	4.5
167.07066	0.7
170.91830	0.5
173.05980	6.5
175.07544	0.8
179.07056	5.6
179.94557	0.5
185.05971	0.9
187.07559	1.0
188.07016	0.7
190.08646	11.0
191.07031	54.6
192.07445	0.6
203.07013	3.0
208.09691	100.0
209.10106	1.4
220.09743	2.3
223.00786	0.5
231.05020	0.5
307.09628	0.6
325.10754	6.2
337.13785	0.5
342.13312	4.9
343.11801	3.3
360.14417	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
54.37791	1.2
55.01855	1.6
55.05511	1.5
57.03435	1.2
58.39170	1.1
60.04520	2.2
63.66919	1.4
67.05495	3.7
68.99778	3.0
69.03419	1.5
69.07039	2.0
70.06595	21.2
71.49457	1.3
72.08155	17.4
79.05484	2.6
81.07050	2.8
83.01344	1.5
83.04993	1.7
84.04508	6.1
84.08120	4.6
85.02900	1.9
86.09710	13.5
87.04445	3.2
91.05462	5.3
93.07036	1.9
95.04975	8.1
95.08544	1.4
97.02843	1.4
102.05550	2.1
103.05437	1.8
105.03362	1.6
105.06997	2.1
107.04945	2.6
107.08588	2.0
115.05443	2.9
117.07011	3.8
119.04945	11.7
120.08112	2.2
121.06514	6.9
123.04431	87.3
129.06976	1.3
129.10210	2.1
130.06494	2.0
132.10187	4.4
135.04404	3.5
135.08018	5.7
136.07567	3.6
137.05969	5.9
138.09119	2.0
139.03882	2.5
145.06467	6.0
147.04407	40.4
148.05106	1.8
149.05954	4.5
151.03900	5.1
157.06500	2.2
157.07648	2.2
161.05968	3.6
163.03870	3.8
163.07544	19.8
165.05498	19.8
173.05978	9.4
175.07574	2.4
177.05496	1.7
179.07008	8.0
183.11247	3.9
185.06044	2.3
187.07474	2.7
189.05440	2.3
190.08646	17.5
191.07039	89.7
198.12024	1.5
201.12268	3.3
203.06978	8.4
208.09688	57.7
220.09692	3.6
221.07956	2.1
224.98825	1.4
229.11908	1.8
325.10706	14.5
329.34659	1.3
329.39185	1.5
342.13535	6.7
343.11771	35.0
360.14407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2944
Annotation	24:5 (n-3)
Peak:m/z	Relative Intensity
55.05501	23.2
57.07071	17.1
64.52882	5.6
65.41345	7.0
67.05509	40.1
69.07056	25.5
69.81873	24.1
71.04977	23.2
79.05491	16.7
79.99490	7.1
81.07062	72.0
83.08605	16.6
85.06529	21.0
91.05472	18.3
93.07039	51.6
95.08614	94.5
96.08930	7.1
97.06530	10.9
97.10168	8.1
98.21452	7.1
105.07000	36.6
107.08597	62.0
109.06520	7.2
109.10157	68.6
111.08054	13.1
113.09641	42.4
113.53025	5.9
115.10657	6.4
117.07014	13.3
119.08595	51.5
119.43235	5.7
121.10153	84.8
121.65433	8.3
123.11714	51.1
125.09651	9.8
131.08557	17.0
133.10095	41.1
135.11693	34.8
137.13248	12.2
139.11163	8.9
143.08568	8.9
145.10118	91.2
147.11690	29.8
149.13269	35.4
151.11169	7.0
157.10158	14.7
159.11728	44.0
161.13277	38.4
163.11249	9.9
163.14798	17.4
165.12704	8.0
165.62596	5.9
167.14275	6.8
171.11674	17.3
173.13277	25.6
175.14795	17.9
177.16356	9.0
185.13249	24.1
187.14856	52.7
189.16434	13.6
191.17847	9.9
199.14806	16.9
201.16379	21.6
203.14273	8.2
205.15822	25.3
213.16344	16.5
217.15924	9.2
225.16466	11.3
227.02144	13.2
227.17798	10.1
229.00214	13.6
231.17317	6.9
241.19443	21.9
243.17448	8.9
273.21921	8.1
283.24066	20.8
299.23691	9.6
301.25345	38.7
323.27328	10.5
341.28546	49.3
359.18793	8.6
359.29523	100.0
359.36942	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01864	4.4
57.03441	6.3
61.02921	9.5
63.87884	2.4
65.03936	3.8
69.03425	25.7
70.06577	5.8
70.74377	5.8
70.81096	2.5
71.04974	2.9
73.02921	5.6
76.71899	2.0
81.03412	10.9
84.08150	3.2
85.02908	100.0
86.09699	9.4
91.03988	5.8
92.67522	2.2
93.03392	8.0
97.02892	23.4
99.04452	7.7
105.07057	4.7
107.04964	4.4
109.02856	7.6
111.04440	19.9
119.04927	2.3
122.09656	3.1
127.03943	22.5
135.04440	26.8
136.07558	2.8
137.05965	4.0
139.03917	64.0
145.03928	3.2
145.04959	34.3
160.80806	2.0
162.07611	2.1
163.03934	14.3
163.06039	4.3
180.08672	11.1
181.04964	83.6
183.30630	2.2
196.86760	2.1
198.07568	3.5
247.05991	2.4
317.11948	2.6
351.78159	2.5
360.13467	3.4
360.18448	4.6
361.10910	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	359.2291
Annotation	Leu-Leu-Asn
Peak:m/z	Relative Intensity
55.05513	1.1
56.05040	0.8
60.04541	0.7
66.72218	0.5
67.05508	0.9
69.03424	1.7
69.07070	5.8
69.31041	3.9
70.02954	2.9
70.06593	5.2
72.08151	2.8
79.05498	1.2
81.03431	0.7
81.07057	2.2
84.04504	1.4
84.08152	3.3
85.02889	0.9
85.04042	1.5
85.06544	0.7
86.09708	100.0
87.05589	5.9
87.10049	0.7
91.05440	1.0
93.07024	0.8
95.04973	0.7
97.06503	0.9
98.02413	1.5
100.07617	0.7
107.08604	1.5
109.06502	1.4
109.10177	0.6
110.02397	6.0
110.09669	0.5
113.10776	3.2
114.09173	1.5
115.07536	0.8
116.07084	0.7
119.08588	0.9
120.08136	1.1
123.04514	0.9
123.08074	0.6
124.03967	0.8
127.03967	0.9
129.10242	2.0
130.06586	0.7
131.11859	1.1
132.10229	2.2
133.10162	0.9
135.04446	0.7
135.08154	0.7
136.07700	0.7
137.02373	2.2
137.06027	0.9
138.09152	4.6
141.10228	10.2
149.02338	4.0
155.11813	2.4
157.13342	0.6
161.02353	1.1
163.03889	2.5
165.01854	3.0
165.05521	0.5
166.08650	9.3
169.09787	0.7
179.03424	5.4
179.10623	0.6
181.04958	1.3
183.02867	0.9
183.11290	12.9
187.10770	4.6
191.07065	2.2
194.08165	2.8
197.11740	2.0
200.13940	6.4
201.12361	0.6
208.09688	2.7
211.10773	9.5
212.07413	1.1
212.09163	6.7
228.13448	24.4
229.11816	6.7
230.08487	1.4
246.14493	11.6
279.17212	0.8
295.06058	1.0
296.19659	7.5
297.18076	1.0
299.05515	10.3
313.07068	18.3
314.07373	0.8
314.21045	1.4
323.05344	0.7
341.06577	12.8
341.10373	0.6
342.06885	0.7
342.20081	2.7
345.13190	1.5
359.07755	9.0
359.12708	0.9
359.22882	1.6
360.14581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01866	2.6
55.05513	3.2
56.05019	2.2
57.03427	3.9
59.05001	1.9
59.85640	0.9
60.04480	1.0
61.02915	6.9
63.76598	1.3
65.42474	1.0
67.05499	3.7
69.03432	9.6
69.52267	5.6
69.52679	1.6
70.06596	9.4
72.08150	16.5
73.02912	3.0
77.80128	1.0
79.05484	2.3
79.66214	1.1
81.03428	5.6
81.07074	2.0
84.04495	5.0
84.08145	8.8
85.02904	39.5
86.09701	11.8
87.04468	1.7
91.03944	3.1
91.05482	5.1
93.07036	6.2
95.04946	2.5
95.08608	3.2
97.02888	11.6
98.21588	1.9
98.97568	1.8
99.04445	2.6
102.05561	1.5
105.07016	7.6
107.08592	62.8
109.02888	4.4
109.06528	2.8
109.10156	12.5
110.07146	1.5
116.07082	1.2
118.08749	1.2
119.04932	1.8
119.08611	2.6
120.08108	1.5
121.06506	2.7
121.10142	1.6
122.20636	1.2
123.04372	5.3
127.03904	8.9
129.10260	6.2
130.06512	3.6
130.08636	1.1
133.10138	26.5
135.07997	1.2
135.11691	12.4
137.02429	1.2
137.05991	3.0
137.09598	7.8
139.03900	3.3
145.04927	7.9
147.04422	3.8
151.11205	6.3
157.07639	5.4
161.09590	10.2
163.03929	3.5
163.07593	1.7
165.05475	2.2
179.10657	25.3
191.06992	5.7
197.11717	100.0
208.09753	3.4
223.07385	1.5
304.41302	1.2
359.07886	2.7
359.16656	4.1
360.14395	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01858	2.0
55.05502	1.2
55.37469	0.8
57.03421	2.0
59.05008	1.1
61.02916	3.0
67.05498	1.8
67.47282	0.8
69.03432	8.8
69.07053	3.0
69.43294	0.8
70.02973	0.9
70.06586	5.2
70.26234	1.5
71.04985	1.7
72.08160	1.1
73.02916	1.2
79.05489	2.5
81.03407	3.4
81.07051	2.5
84.08131	2.4
85.02909	31.8
85.06528	1.0
86.09707	21.6
89.06024	4.0
90.06367	1.6
91.05485	5.2
92.61845	0.9
93.07041	9.3
95.04955	2.8
95.08577	1.4
97.02897	7.5
99.04411	1.9
105.07047	8.1
107.07879	1.3
107.08600	23.0
109.02870	3.1
109.06518	1.6
109.10159	2.2
110.02422	1.1
117.56660	0.9
119.04920	1.0
119.08567	2.4
120.08068	2.0
121.06489	2.7
123.04408	2.8
123.08048	1.7
123.11671	1.4
127.03925	6.1
129.10258	2.2
131.08533	1.5
132.04424	2.5
132.10185	1.0
133.08618	1.9
133.10139	25.9
135.08061	1.0
135.11690	23.5
135.80443	0.9
137.05998	1.5
137.09622	2.5
140.92088	1.1
141.10184	1.3
145.04958	3.7
146.07315	0.7
147.04388	1.3
151.11171	1.4
161.09608	12.6
166.08714	1.8
173.06020	1.0
179.10675	37.5
183.11273	1.0
191.07034	3.2
197.11731	100.0
198.12157	1.0
200.14021	0.9
208.09709	5.2
212.09171	1.3
228.13448	3.0
229.11830	1.3
246.14415	2.2
258.97110	0.8
284.17853	1.2
296.09747	0.9
341.11285	1.1
345.13080	9.9
359.12518	1.1
359.16977	0.9
360.14459	1.5
377.00430	0.9
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	Grevilloside B
Peak:m/z	Relative Intensity
52.75178	0.6
53.03939	0.8
55.01863	1.3
57.03421	2.4
61.02909	2.6
67.05505	1.1
69.03431	8.1
69.07036	0.9
70.06573	2.2
70.79988	1.6
71.01308	0.7
71.04980	1.2
72.08138	2.9
73.02914	1.1
76.12351	0.6
79.05491	1.2
81.03412	3.2
81.07045	1.6
83.01333	0.7
85.02908	30.7
86.09711	10.4
91.03931	0.9
91.05466	4.3
93.07043	6.5
95.04959	2.9
95.08591	0.6
97.02893	6.5
99.04436	2.1
105.07043	7.3
107.08595	21.7
109.02879	3.0
109.06520	1.3
109.10144	2.2
116.59525	0.7
117.06973	0.7
119.04942	1.1
119.08576	3.3
121.06507	2.7
123.04423	6.0
123.11728	0.9
127.03886	4.7
129.10268	3.2
133.10144	23.8
135.08020	1.2
135.11697	20.7
135.12730	1.1
137.05968	1.4
137.09616	1.1
145.04956	3.0
149.09557	0.7
151.11171	1.9
157.09697	1.4
161.09622	10.7
163.07549	1.7
179.10666	38.0
180.10982	1.2
189.12297	0.6
190.08658	0.9
191.07043	5.5
197.11736	100.0
198.12035	0.9
203.13980	3.1
208.09686	9.4
263.53864	0.7
309.95367	0.6
360.14438	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01870	1.0
55.05493	0.9
57.03424	1.4
61.02914	1.8
67.05497	1.4
69.03428	3.5
69.07055	0.8
70.06582	2.6
70.84541	1.0
70.84859	1.2
72.08140	0.9
73.02916	0.8
79.05495	2.4
81.03401	1.6
81.07046	4.3
84.08126	2.9
85.02909	11.0
86.09715	5.1
91.05477	4.4
91.40494	0.8
93.07043	6.7
95.04948	1.3
95.08598	2.2
97.02892	2.5
101.51295	0.8
105.07041	8.0
107.08591	36.3
109.02895	1.1
109.06542	1.1
109.10140	2.0
112.08644	0.8
119.08589	5.6
120.08085	1.3
121.10136	7.3
123.04447	1.1
123.08101	1.4
123.11707	1.1
127.03873	1.6
129.10272	1.3
133.10129	19.7
135.11752	1.0
137.05956	0.9
137.09639	1.8
139.07558	1.5
145.04953	1.5
149.09642	4.7
151.07564	1.4
151.11209	9.0
161.09636	5.0
167.10680	14.5
179.10681	16.9
197.11731	100.0
198.12024	1.4
313.07126	2.4
359.07614	2.7
359.16391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	(-)-Dehydrodiconiferyl Alcohol
Peak:m/z	Relative Intensity
50.46517	1.3
52.87915	1.2
55.01865	3.5
57.03416	2.0
65.03939	9.4
67.05497	4.2
70.06588	2.4
70.30731	6.7
72.08147	1.9
79.05484	3.6
81.07046	4.1
84.04492	4.7
84.08107	2.0
85.02895	3.2
86.48123	1.4
91.05471	4.7
93.03422	4.1
93.07034	1.7
95.04964	4.1
102.05501	1.9
105.07011	3.3
107.04974	7.3
107.08551	3.1
109.10221	1.4
110.03651	6.5
111.04422	6.1
111.08094	1.8
117.07017	2.5
119.08581	1.7
119.99629	1.3
121.02881	24.1
121.03783	2.8
121.06519	3.0
121.10098	2.0
123.04395	4.4
125.05944	7.9
128.06169	2.0
129.06953	2.3
130.04994	2.3
131.04926	2.0
135.08043	4.2
137.05977	3.0
141.07089	1.4
144.05673	2.5
145.06462	3.5
147.04387	2.5
147.08076	2.3
149.02333	6.1
149.05916	1.4
151.03870	3.1
152.06180	3.5
153.05460	11.7
153.06848	3.1
154.06058	1.4
159.08134	7.2
161.05974	4.7
161.09595	5.2
162.06758	3.1
165.06993	7.5
166.07852	1.7
167.07063	4.1
167.08585	7.6
168.05684	1.8
169.06537	4.1
175.07553	2.1
177.06946	1.9
178.07774	5.6
179.08514	3.3
181.04944	20.7
181.06500	9.6
182.07280	6.2
183.08104	2.7
184.08827	2.3
185.06302	1.5
187.07576	2.2
193.06540	2.8
194.07254	5.6
195.08051	12.2
196.08730	3.2
197.05960	9.3
197.09579	3.0
199.11024	1.5
203.08499	1.7
205.06512	2.1
206.07292	5.9
207.08076	4.1
208.08797	1.8
209.05954	4.3
209.09657	5.1
210.06778	14.4
211.07510	11.0
212.08340	6.1
219.08099	3.1
221.06024	2.0
221.09544	8.2
222.06763	5.7
222.10384	3.3
223.07533	18.2
223.11104	1.8
224.08321	7.6
225.05450	5.3
225.09070	11.7
226.06323	2.9
227.07010	9.6
227.10652	3.9
232.08875	1.7
234.06789	4.0
235.07465	2.9
237.05473	2.5
237.09099	14.7
238.06271	10.9
238.09842	12.4
239.06966	11.2
239.10690	3.8
240.07800	31.9
241.08534	7.3
242.05762	3.4
248.08325	2.1
249.09035	9.5
250.09810	2.3
251.07028	9.9
251.10809	1.5
252.07787	7.9
253.08595	58.3
253.12212	16.6
254.09294	6.5
255.06467	9.9
255.10172	12.2
257.08093	9.4
265.08676	7.3
266.05811	2.3
266.09360	8.1
267.06479	4.3
267.10043	8.0
268.07285	10.5
269.08090	16.0
270.08890	7.4
277.08661	2.9
279.10318	2.3
281.08060	14.7
281.11682	16.7
282.08936	3.6
283.06049	7.3
283.09668	23.4
284.06485	2.3
284.10446	8.4
285.07471	4.7
285.11108	3.8
285.14716	1.8
295.09634	4.2
297.07602	5.8
297.11166	4.0
298.08365	9.1
298.11792	3.4
299.12756	23.3
300.09991	17.3
301.10452	2.5
303.15582	1.8
309.11221	16.0
310.11942	5.1
311.09192	1.7
313.10678	74.3
313.14346	50.4
314.31018	1.5
316.13141	1.8
326.11429	4.9
327.12277	100.0
328.12888	6.1
331.15387	20.4
341.09940	3.2
341.13855	43.3
359.14868	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	359.1489
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.03947	1.4
53.22285	1.3
55.01870	3.2
55.05494	5.2
62.77751	1.2
65.03941	7.4
67.05486	2.8
69.03423	2.9
69.68055	4.4
69.68462	3.5
70.06581	3.3
79.05485	3.8
81.07030	2.7
84.04536	1.3
84.08109	2.7
85.02887	2.7
86.09679	6.0
91.05464	8.8
93.03383	4.1
93.07007	2.8
95.04952	3.1
95.08587	2.6
97.06521	1.8
103.05461	1.5
105.03407	2.0
105.07024	3.4
107.04934	8.9
107.08549	2.0
109.02923	2.1
109.06489	1.7
110.03650	5.7
111.04433	5.4
115.05467	2.0
119.04947	2.6
119.08598	1.8
121.02877	19.8
121.06506	3.0
121.10183	1.5
122.03625	1.3
123.04457	7.7
125.06010	12.4
128.06174	2.8
129.07024	1.7
135.04439	2.7
135.08006	1.9
137.05972	5.1
139.03880	2.6
144.05698	1.6
145.06438	2.0
147.04372	3.8
149.02362	6.5
149.05978	2.3
151.03912	15.0
151.07494	1.4
152.06169	2.8
153.05490	7.9
153.06969	1.5
159.08037	5.6
161.05975	4.6
161.09590	4.1
162.06656	2.7
163.03944	1.6
163.07533	1.6
165.05537	2.5
165.06979	6.3
166.07741	3.4
167.07045	4.3
167.08527	5.1
168.05708	1.6
169.06488	4.4
171.07950	1.5
173.05898	1.7
177.07004	2.3
178.07774	5.7
179.08528	3.8
181.04939	17.8
181.06485	8.6
182.07254	5.2
183.08046	4.3
184.05139	2.3
187.07579	1.8
187.21173	1.4
190.07687	1.6
191.08574	2.8
192.09198	1.6
193.06377	2.8
193.10168	2.7
194.07289	4.8
195.08057	12.6
196.08775	2.6
197.05949	7.7
197.09625	3.2
199.07545	3.1
202.07874	2.1
203.08470	2.2
205.06473	3.7
206.07228	3.8
207.08026	4.4
207.09999	2.9
209.05984	4.4
209.09621	3.8
210.06754	13.0
211.07516	9.9
211.11243	1.7
212.08292	6.4
213.09000	2.4
215.64029	1.7
219.08054	4.8
220.08786	2.9
221.06009	3.9
221.09601	14.6
222.06697	4.3
222.10353	2.6
223.07526	15.8
223.11061	2.3
224.08365	6.4
225.05540	3.7
225.08997	9.4
226.06201	2.0
227.07043	6.4
227.10692	4.4
234.06760	6.1
235.07529	4.5
236.08263	2.2
237.05507	1.7
237.09148	11.8
237.14372	3.1
238.06252	6.6
238.09918	8.6
239.06999	11.8
239.10716	3.2
240.07782	27.8
241.08641	8.7
242.05637	3.3
249.05420	2.1
249.09084	7.4
250.09895	2.9
251.07124	9.5
251.10741	2.2
252.07813	8.1
253.08578	49.4
253.12248	12.5
254.09331	5.6
255.06490	7.5
255.10196	14.5
257.08051	8.5
265.08563	8.6
266.09436	6.8
267.06583	5.0
267.10181	10.5
268.07379	9.2
269.08078	18.0
270.08826	5.7
271.13339	1.9
272.10501	1.9
277.08600	4.2
279.10202	1.7
281.08096	12.3
281.11728	17.0
282.08664	3.0
283.06100	3.5
283.09589	25.4
284.07309	1.4
284.10260	7.6
285.07635	5.6
285.11395	1.7
285.14755	2.0
295.09641	5.8
297.07666	4.9
297.11191	4.4
298.08353	10.4
298.11792	3.0
299.12756	15.1
300.09912	17.0
303.08633	8.6
309.11148	15.0
310.11948	3.8
311.09247	2.1
313.07129	4.9
313.10681	79.9
313.14346	45.6
326.11496	5.5
327.12253	74.2
328.12949	5.3
331.15335	20.8
332.21591	3.1
341.06674	2.6
341.13858	40.0
341.21814	3.4
350.22760	6.3
359.14874	100.0
359.23160	39.3
359.73489	9.5
360.15109	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	359.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	1.3
57.79549	1.1
70.06603	7.0
70.25357	4.3
71.22341	1.1
72.08141	2.8
84.04504	1.6
84.08134	5.0
85.02879	1.2
86.09708	13.7
89.06041	1.2
91.05779	1.3
101.00846	1.1
116.07080	1.7
129.10204	1.3
144.16818	1.3
147.11343	1.6
157.07442	1.3
163.03874	2.5
199.18074	2.9
203.07663	2.6
222.40599	1.4
223.07526	1.6
244.38684	1.4
246.14523	1.3
273.09509	12.9
313.12033	2.0
315.10510	48.7
318.42868	1.4
348.61633	1.8
359.09442	100.0
359.12988	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	358.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96218	0.3
55.01867	0.8
57.03430	1.3
61.47507	0.2
65.03941	0.7
67.05478	0.3
69.03420	0.9
69.07056	0.2
69.41211	1.9
70.06602	1.3
71.01346	0.7
73.02928	0.7
81.07069	0.6
85.02914	0.8
86.09711	1.4
91.05478	59.1
92.05825	0.6
96.15700	0.3
103.05515	0.3
107.08566	0.3
115.03905	0.5
119.08602	0.3
119.54152	0.2
123.04420	0.5
137.05920	0.3
144.77097	0.3
147.04401	0.5
148.06157	1.7
155.28102	0.3
163.03922	0.5
185.09906	0.2
199.10707	0.4
206.08891	0.6
209.08220	0.4
226.10867	100.0
227.11250	1.5
313.10818	0.5
313.14285	0.5
327.12097	0.3
341.14133	0.3
358.15094	24.0
359.14932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2701
Annotation	Ile Ile Leu
Peak:m/z	Relative Intensity
67.05503	0.8
69.03403	0.4
69.07069	4.0
70.06593	1.9
72.08156	0.6
79.05487	0.7
80.61308	0.3
81.03410	0.6
81.07047	0.7
84.04499	0.4
84.08144	0.9
86.09705	100.0
87.10050	1.0
89.06020	1.5
91.05460	0.6
92.53160	0.3
93.07043	0.9
95.04936	0.5
95.08604	0.8
98.20798	0.9
102.05534	0.4
105.07044	0.7
107.08624	0.4
109.02859	0.5
109.10188	0.5
120.08099	0.6
123.04443	0.4
126.09111	0.3
127.03977	0.7
128.02194	0.3
132.10219	1.2
133.08620	0.4
133.10162	0.4
137.06033	0.7
165.05536	0.5
169.07637	1.4
185.06995	0.3
189.05585	0.4
196.13261	0.5
197.07124	0.5
199.18059	39.4
200.18468	0.7
225.06653	1.3
227.17531	12.7
245.18614	3.6
266.13977	0.4
271.07260	1.4
299.05298	0.3
358.09912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37727	1.9
53.03930	3.6
55.05276	2.8
55.05513	43.0
55.88191	2.0
56.05836	4.6
57.03426	7.7
57.07076	30.9
62.19590	2.4
65.03943	2.0
67.05185	2.9
67.05505	45.9
69.07067	66.9
69.79959	7.7
69.80363	4.2
70.06579	9.7
71.04980	3.7
71.08634	20.9
71.97657	2.4
74.28925	1.9
79.05497	32.2
81.03433	2.3
81.07056	62.3
83.05005	3.8
83.08168	2.4
83.08626	46.3
85.06539	3.5
85.10176	9.7
88.07649	11.7
88.08110	2.5
91.05470	6.8
93.07040	43.0
95.08607	60.3
97.06519	18.8
97.10158	28.0
103.03956	3.9
105.07018	6.1
106.08654	5.1
106.45865	2.5
107.08581	36.3
109.10160	33.2
111.08077	9.4
111.11708	7.5
119.08577	4.4
121.10147	59.9
123.11670	12.8
125.09601	4.0
125.13254	3.4
131.08522	2.8
133.10129	6.2
135.11696	41.4
137.13283	6.9
139.11177	3.9
143.45549	2.1
145.10094	2.7
147.11650	2.3
149.13246	20.2
151.07506	2.3
151.14835	5.2
153.12770	2.5
159.11732	2.9
163.14816	8.5
165.16382	4.7
173.13248	2.8
175.14740	2.7
177.16339	3.3
181.15794	2.9
187.14726	2.5
191.17931	4.5
241.19260	2.6
247.24229	47.8
261.18515	2.4
265.25299	38.6
283.26251	2.7
311.27209	2.3
339.28903	21.4
339.34476	4.7
357.25931	12.0
357.35522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2787
Annotation	Nisinic acid
Peak:m/z	Relative Intensity
50.74464	2.8
55.05510	19.4
57.07044	4.6
63.75264	2.6
67.05507	20.7
69.07054	11.3
70.06573	4.6
71.04996	15.4
71.06927	2.6
71.08628	3.0
72.89809	2.7
79.05477	10.9
81.07057	20.2
83.08611	11.2
85.06541	7.3
88.07635	6.0
91.05459	13.5
93.07049	33.4
95.08607	42.8
97.06512	3.6
97.10159	5.9
98.21644	5.4
99.08073	25.8
102.55190	2.8
105.07038	28.9
107.08582	34.5
109.06515	7.3
109.10165	40.6
111.07278	3.1
111.08076	61.7
113.09644	18.1
117.07002	4.9
119.08587	31.3
119.09399	4.0
121.10133	31.7
123.08058	3.7
123.11722	17.6
125.09589	3.9
127.11230	2.8
128.06242	3.9
129.07019	6.0
131.08569	16.4
133.10094	24.2
135.11685	15.8
137.09570	5.0
137.13243	3.3
139.11195	5.1
141.06985	4.1
142.07816	5.0
143.08540	13.1
145.10109	28.9
147.11725	20.7
149.13252	12.2
151.11186	9.6
153.12796	4.0
155.08516	8.1
156.09372	4.0
157.10110	28.9
159.11679	27.9
161.13239	22.3
163.11140	4.1
163.14874	5.3
165.12738	4.6
169.10149	14.0
170.10902	5.4
171.11671	24.4
173.13249	23.0
175.11189	4.3
175.14838	7.7
177.12788	4.0
177.16397	4.0
181.10152	5.3
182.10948	4.4
183.11705	17.8
185.13249	68.4
187.14871	21.8
189.16437	4.4
195.11751	5.6
196.12480	4.9
197.13318	20.9
199.14810	18.8
201.16403	16.7
203.14326	6.8
209.13271	6.0
211.14790	37.5
212.15373	3.0
212.90994	3.1
213.16371	20.4
215.14391	5.1
215.17955	7.6
217.15874	7.6
219.17542	2.8
223.14728	4.0
225.16269	15.3
226.17058	4.7
227.17911	21.0
229.15898	6.3
229.19586	10.4
231.17479	7.2
237.16423	6.0
239.17871	13.3
241.19493	24.6
243.17471	9.0
245.19014	8.0
251.17928	10.7
253.19545	8.7
255.17471	5.9
255.21127	11.2
257.22675	4.1
265.19455	8.1
266.20172	4.8
267.21149	4.6
269.19022	24.1
271.20551	5.8
273.22046	3.8
275.55811	2.7
279.21140	4.6
281.22623	89.8
283.20255	4.3
293.22507	2.6
295.23901	2.8
297.22214	8.2
297.25671	7.4
299.23694	92.1
313.25415	3.9
315.26813	8.4
321.25778	24.7
339.26831	100.0
340.27094	4.0
357.27872	96.5
357.31650	5.5
357.35205	36.1
358.36768	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	357.2019
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
52.63364	0.9
53.03938	2.6
53.30762	0.8
55.01866	1.3
55.05501	4.0
56.05038	5.9
57.03435	1.3
65.03925	1.2
67.05504	10.0
68.99795	1.7
69.03422	4.6
69.07063	5.0
70.06584	3.3
70.61546	1.3
70.61900	2.9
71.04987	1.6
72.08127	1.1
73.04738	1.0
79.05481	6.2
80.13111	1.0
81.03410	6.1
81.06591	1.8
81.07051	25.2
83.04973	2.7
83.06106	32.3
83.08614	3.2
84.04504	100.0
84.08128	2.5
85.02904	3.9
85.06536	2.8
86.09686	2.0
91.05476	8.7
93.07045	6.6
95.04950	3.2
95.08617	9.8
97.02875	2.0
97.06490	2.1
97.10185	1.9
97.49377	1.0
99.04434	1.6
99.08141	1.3
101.07143	12.2
102.05540	14.4
105.07032	13.5
107.04947	1.8
107.08605	6.3
109.02860	7.4
109.06525	1.8
109.10159	2.8
110.07148	1.4
111.04454	2.2
119.04919	1.9
119.08578	10.2
120.08083	1.1
121.06508	1.3
121.10142	7.8
123.04425	7.1
123.08098	0.9
123.11714	10.5
125.02334	2.0
125.09552	1.2
127.03925	6.8
127.07512	1.2
129.05621	2.1
129.06601	43.7
130.05000	75.9
131.08606	2.2
133.10092	3.1
135.08093	1.2
137.05983	9.5
143.08429	1.2
145.10095	1.8
147.04410	3.9
147.07643	30.0
147.11688	24.7
151.03894	4.2
157.10225	1.0
159.08104	1.0
161.05988	3.0
161.09561	1.3
163.04005	1.3
165.05463	2.0
165.12761	16.4
179.08374	1.0
181.04886	1.4
182.15402	8.4
183.13782	1.5
203.07089	1.6
204.06590	1.2
205.08568	9.0
210.14893	18.1
213.03917	1.4
228.15945	11.2
229.14363	3.3
264.07919	1.0
276.16046	2.0
283.06140	4.3
287.00278	1.3
293.18536	4.8
294.16888	5.8
303.17404	1.1
311.05652	1.4
312.17899	1.8
321.18103	13.1
321.23978	1.1
329.06622	1.4
339.12457	2.3
339.19119	2.5
357.08731	2.4
357.13281	5.8
357.19949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07946	1.6
53.03929	1.4
59.05003	1.7
63.04541	1.4
67.05495	2.1
69.03431	3.1
69.07047	2.1
70.06586	11.6
71.04974	2.0
72.08162	4.0
72.83997	1.6
79.05490	3.6
81.03410	5.4
81.07042	2.8
81.28473	1.7
84.04511	3.0
84.08147	8.0
86.09718	12.3
87.04466	3.7
91.05475	11.6
95.04966	3.6
95.08595	1.5
96.90038	1.5
99.04452	3.7
103.05463	4.9
105.07011	2.4
107.04931	3.8
107.08572	2.1
109.02866	5.8
109.06525	2.8
111.04419	1.9
115.05447	3.9
117.06956	1.7
118.06513	2.0
119.04959	10.5
121.06548	2.6
122.03696	2.2
123.04436	3.4
124.07592	1.5
125.09610	1.7
127.03938	5.0
129.06979	5.5
129.10239	7.0
130.06522	16.6
131.04944	6.4
132.08081	2.7
135.04411	1.8
135.08037	1.9
137.02348	2.5
137.05981	57.4
143.04919	5.3
143.07358	2.0
144.08092	29.5
147.04428	11.3
149.05974	3.6
149.09599	1.9
151.03888	2.3
151.07545	16.9
156.08113	11.9
158.09659	2.1
159.06845	1.6
161.05952	7.9
161.10779	2.5
163.07547	6.0
168.08107	10.2
170.06125	2.1
170.09656	4.2
175.07530	9.8
177.12555	1.8
179.07007	5.3
180.08073	4.3
186.09142	2.1
187.06262	3.9
191.07068	3.6
194.09682	2.0
202.08661	8.8
204.08177	2.7
205.08720	3.2
206.09782	2.2
217.08781	2.5
218.09688	7.5
220.11392	1.6
222.09171	1.6
228.10176	13.9
232.07520	3.9
232.11208	3.6
233.08308	3.8
234.09059	4.2
244.11288	6.2
246.09172	5.7
247.09769	3.2
248.07034	2.6
248.10770	4.8
249.07854	1.8
250.08640	3.9
254.11792	3.7
260.10776	6.1
261.11533	2.3
262.08511	7.0
263.09409	6.2
264.10144	9.1
265.10983	3.8
266.11728	4.8
271.06064	1.9
272.07855	1.5
272.10721	7.0
274.08667	2.6
276.10248	6.7
277.11020	5.6
278.11765	39.0
279.12396	2.3
280.13354	16.8
289.11057	7.8
290.11743	3.3
291.12262	1.6
292.13300	25.7
294.11218	1.8
300.06247	3.4
304.13373	18.9
311.05396	1.7
321.15982	29.0
322.14362	4.3
326.12897	2.9
329.06519	4.6
340.15451	100.0
341.15878	3.5
357.05804	11.9
357.14746	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	356.3523
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
51.57538	0.3
55.05513	9.2
57.07086	1.4
58.06603	0.8
62.06076	0.4
62.58461	0.3
67.05505	0.3
69.07072	7.2
69.18840	1.5
69.19268	1.1
70.06596	13.0
71.08629	0.6
74.06108	0.4
83.08621	3.2
85.10197	0.4
86.06048	0.3
88.07635	16.7
95.08648	0.3
97.10153	1.3
98.20738	0.6
98.21425	1.0
99.24880	0.3
102.09180	4.9
106.08668	8.2
208.20525	0.3
247.68001	0.3
278.61478	0.3
312.32666	0.6
338.34158	6.1
356.35223	100.0
357.35535	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	355.2844
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.03941	3.9
55.01868	4.1
55.05270	3.2
55.05516	41.7
57.03428	10.0
57.07064	13.5
67.05510	84.8
69.07072	45.8
70.06593	9.2
70.18739	7.8
70.90546	2.5
71.05000	3.0
71.08619	7.1
73.04760	3.4
75.04479	2.2
79.05496	31.7
81.06596	5.3
81.07063	100.0
81.82557	2.3
82.07399	3.0
83.04978	3.5
83.08625	30.0
85.06555	5.7
85.10178	4.3
88.07637	14.5
89.08005	2.9
91.05411	16.5
93.03506	2.5
93.07041	39.4
95.08614	89.5
96.08954	3.1
97.06526	12.1
97.10187	23.0
98.21479	3.7
103.03929	2.8
105.07039	21.5
106.08649	6.8
107.08595	22.7
109.10159	44.2
111.08094	7.6
111.11726	6.7
113.09590	2.5
119.08583	23.9
121.10153	31.7
123.11714	16.7
129.05498	2.5
131.08572	3.8
133.10133	18.9
135.11681	15.8
137.09677	2.8
137.13242	9.7
139.11095	3.6
145.10162	3.4
147.11647	13.6
149.13278	13.1
151.14807	7.5
159.11659	3.9
161.13310	14.0
163.03908	2.9
163.14859	15.6
165.16409	6.3
175.14903	11.7
179.14391	3.1
179.17932	3.8
189.16347	3.9
245.22662	45.0
256.86758	2.7
263.23730	34.5
285.01053	4.4
301.12836	2.4
337.27411	29.2
337.32932	5.6
355.07040	4.6
355.24234	8.4
355.28845	9.0
355.34015	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05517	45.8
57.03431	10.8
57.07074	17.7
64.04919	3.3
66.95709	3.2
67.05508	80.3
69.06735	3.8
69.07073	50.8
70.06587	7.0
71.04996	7.3
71.08623	7.4
71.23790	4.4
71.24124	4.3
73.04756	4.8
79.05502	32.7
81.06595	5.7
81.07064	100.0
83.04974	3.6
83.08630	31.9
85.06552	6.3
88.07635	6.6
91.05400	19.9
92.06319	2.9
93.07048	43.4
95.04954	5.2
95.08614	88.2
97.06529	11.0
97.10156	24.5
102.09176	4.2
105.07039	18.7
106.08672	4.1
107.08601	34.9
109.10159	51.7
111.08076	11.2
111.11736	8.7
117.07045	3.3
119.08601	25.7
121.10141	35.0
123.08106	4.1
123.11700	28.0
125.13284	4.7
131.08560	8.0
133.10112	26.5
135.08165	3.2
135.11711	26.9
137.09650	5.0
137.13277	8.1
139.11176	3.2
141.12823	2.9
143.08612	5.5
145.10136	8.3
147.11684	19.5
149.09624	23.6
149.13252	19.3
151.11180	5.5
151.14799	5.7
157.10141	4.6
159.11746	7.7
161.13264	26.7
163.14810	15.3
165.16554	6.7
169.10219	3.5
171.11659	7.9
173.13235	4.0
175.14825	15.3
179.14455	4.1
179.17899	4.6
183.11694	9.6
187.11226	4.0
189.16402	7.9
197.13280	3.6
199.14917	5.8
201.12657	7.4
229.15894	6.3
244.18236	6.6
245.22653	53.1
263.23727	46.1
279.20724	4.0
285.00928	8.3
287.29126	3.7
297.22089	5.3
337.27863	27.3
355.25900	28.5
355.33969	7.5
356.35193	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	355.1024
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.61524	2.1
70.80996	4.7
89.03919	8.8
109.85587	1.7
117.03421	10.6
135.04420	19.3
145.02843	15.5
163.03912	100.0
164.04230	2.1
170.31863	2.0
192.05405	1.9
269.99280	1.8
360.42593	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	355.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18675	0.8
52.88394	1.0
55.01847	1.0
55.05500	1.8
57.95752	0.9
58.06591	1.4
60.25368	0.8
65.03921	1.1
67.05489	1.5
69.03402	1.6
69.07054	1.6
70.06593	7.1
71.49551	1.1
72.08148	4.7
73.02918	22.5
73.04740	3.3
73.22258	0.9
79.05486	1.6
81.07053	1.7
83.04963	1.0
83.06096	2.3
84.08132	6.7
85.02885	1.1
85.06509	1.0
85.24232	1.0
86.09706	6.9
87.04453	1.2
89.06027	16.2
91.05414	1.8
91.05846	1.7
93.03401	2.9
95.04958	2.2
95.08545	1.2
103.05460	3.2
105.07064	1.7
107.04944	4.2
107.08601	1.5
110.07158	1.2
111.04435	8.1
117.07088	1.1
118.06539	2.0
119.04945	1.8
120.08118	2.1
121.02866	1.3
121.10150	1.7
123.04431	30.7
127.96176	0.9
129.06981	1.4
129.10255	5.2
130.06523	7.8
131.04945	6.6
132.08055	2.9
133.08597	8.2
133.10153	1.8
135.04402	3.4
135.08089	1.0
135.81184	1.0
136.07614	5.3
137.02332	1.7
137.05948	3.8
137.93195	1.0
139.03908	27.0
144.08101	6.9
147.04436	5.2
148.07576	3.1
156.08099	4.8
158.09636	1.0
161.05975	1.4
163.02853	0.9
163.03946	7.6
163.07552	2.0
164.04234	2.0
165.04425	2.5
168.08092	3.1
175.12303	1.4
177.11224	1.7
181.04938	11.3
182.80415	0.9
184.07561	7.8
191.03404	1.8
191.07040	9.1
194.09679	2.0
196.07576	4.2
196.14496	1.2
201.05411	1.7
202.08713	4.8
203.07277	1.1
214.08589	1.6
217.08812	1.2
218.09628	18.6
236.10718	1.2
246.09143	17.0
248.10800	1.0
249.07838	46.5
250.08624	1.6
250.12268	0.9
252.96730	0.9
262.08585	1.1
263.09338	2.5
264.10208	58.6
265.10660	1.5
268.97888	1.7
278.11798	1.7
285.00977	2.5
297.07047	1.7
299.05240	1.1
299.08127	6.7
306.11197	2.6
310.14337	2.9
312.12265	3.6
324.12286	100.0
325.06860	1.8
325.12784	1.4
326.07187	2.5
326.13940	1.3
327.07690	22.9
337.07114	2.8
338.13928	3.8
355.07202	39.3
355.16528	13.5
356.07648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
54.32204	4.6
55.01876	10.7
55.05512	22.1
57.03431	8.6
57.07064	4.4
57.42938	4.5
67.05511	67.9
69.03428	10.3
69.07066	18.3
70.06592	11.2
71.04993	10.1
71.49355	6.5
71.98572	4.8
73.04760	16.4
73.08241	4.3
79.05067	9.2
79.05494	85.6
81.03436	14.0
81.07056	69.5
83.04977	7.7
83.08634	10.4
83.86593	5.0
85.02900	5.7
85.06552	27.3
91.05415	42.6
93.07046	90.3
95.04970	6.2
95.08609	64.2
97.02917	6.8
97.06537	9.4
97.10152	7.4
99.08051	4.8
103.05475	7.4
105.07030	32.4
107.04964	9.1
107.08602	74.3
109.02901	5.9
109.06538	6.3
109.10172	41.3
117.07032	21.0
119.08609	27.5
120.08093	11.3
121.06449	7.2
121.10146	100.0
123.11732	8.1
131.08574	37.5
133.02826	6.2
133.10129	21.7
135.08099	13.6
135.11700	24.4
137.05984	22.3
137.09634	6.3
145.10132	47.4
147.11691	19.2
149.09653	22.2
151.03886	9.8
158.15331	4.5
159.11734	11.4
161.05946	8.2
161.13287	12.7
163.03958	9.0
163.11133	8.5
163.14777	39.9
167.07028	8.1
176.86884	4.9
177.12666	6.2
177.16400	23.6
181.06456	6.7
186.03201	7.4
187.14824	79.3
191.07121	4.8
201.05455	28.1
201.85143	4.8
205.06508	5.1
205.15881	91.5
234.06813	9.7
235.07474	10.4
251.07013	6.8
252.07805	6.6
263.06985	8.5
265.08502	9.6
268.97787	6.5
277.08649	9.4
285.00974	14.6
293.08102	5.5
295.09531	10.1
305.07755	7.4
319.26456	6.3
323.09082	15.6
327.12164	6.5
337.10861	11.7
355.07578	9.2
355.11765	38.4
355.17905	9.2
360.54892	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	355.0814
Annotation	Ophiopogonone C
Peak:m/z	Relative Intensity
53.03873	0.7
53.52299	0.4
55.01823	0.5
55.05445	0.4
57.03372	0.4
65.03883	0.7
67.05417	3.5
67.05797	0.8
68.99740	0.7
69.03353	1.0
69.07011	0.8
70.06504	2.3
71.49300	0.6
71.49670	0.4
72.08094	0.9
73.04668	1.1
73.05035	0.5
79.05430	0.9
81.03334	0.7
81.06982	0.8
83.04891	1.3
83.05374	0.6
84.08054	1.3
85.02808	1.4
86.09705	2.6
89.03830	0.4
91.05379	1.5
93.06966	0.6
95.04969	2.9
95.08530	0.8
97.97243	0.4
98.29594	0.4
105.03290	1.3
105.06953	0.5
107.04848	1.4
107.08521	0.7
109.02841	0.6
109.10077	1.0
110.07111	0.6
117.03272	0.6
119.04943	4.0
119.08513	0.7
121.02863	17.1
121.03728	0.9
121.06361	0.4
121.10086	0.6
123.04415	1.9
129.10123	0.5
130.06407	0.6
131.04886	0.5
131.08466	0.4
133.02759	0.6
133.10017	0.7
134.05922	0.6
135.04416	1.7
137.05911	0.4
137.09488	1.1
139.03812	0.4
140.06992	0.4
143.08493	0.4
143.11710	0.3
145.02850	4.6
145.03889	0.8
147.04298	1.6
148.01466	0.5
149.02226	1.0
150.05460	0.7
151.03864	0.7
152.07008	0.5
153.07291	0.4
163.03905	6.9
165.01726	1.1
167.03326	1.2
170.46353	0.3
171.04324	0.4
173.02327	4.1
175.03854	0.9
175.14760	0.5
176.01041	5.9
177.01701	1.1
177.05386	0.4
179.03333	1.1
181.03679	0.4
181.04956	3.3
187.03851	0.5
189.01753	1.0
190.02608	2.3
191.01738	0.8
191.03392	14.4
192.03648	0.4
193.04901	0.5
194.02130	2.2
201.01755	1.7
201.05403	0.4
205.04890	0.5
207.02928	0.6
207.07932	0.4
208.03548	0.6
208.26106	0.4
209.04457	2.6
210.06700	0.5
219.00748	0.9
219.02888	16.9
223.44987	0.4
225.08842	0.6
235.07367	0.7
237.03824	1.6
251.06854	0.4
252.07831	0.6
253.08585	0.7
255.06483	1.1
263.06998	1.5
266.05618	0.9
267.06430	0.6
268.97803	0.7
269.07889	0.5
270.84833	0.4
279.06387	1.5
280.07248	3.0
281.08093	16.3
283.06009	5.9
284.06723	2.2
285.01141	0.8
291.06488	2.6
292.07098	0.4
293.04453	0.6
294.05215	42.1
295.05814	3.1
297.07568	7.1
298.08237	2.0
307.05975	5.8
308.06766	8.7
309.07559	19.8
310.07962	0.6
319.05972	9.8
337.07047	100.0
338.07297	2.8
355.08112	56.8
356.08472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.62377	1.6
54.90733	1.5
55.05315	1.2
55.05515	14.0
56.05035	2.7
57.05805	1.6
57.07079	17.3
58.02964	2.2
58.06602	22.0
60.04521	3.6
61.48337	1.5
66.68925	1.3
67.05514	12.5
67.05865	2.1
69.07069	23.7
69.56233	1.5
70.02946	3.2
70.06593	10.0
70.99352	4.1
71.04982	2.9
71.08635	10.2
72.04508	3.6
72.08175	1.9
73.04774	2.8
74.06078	3.5
79.05470	3.5
81.07066	17.2
82.06610	2.0
83.08617	14.7
84.08134	7.0
85.10178	5.9
86.06057	6.2
87.04475	1.6
87.06836	1.7
93.07063	3.4
95.08615	21.0
97.10178	11.3
98.09682	1.7
105.07030	2.1
108.08092	2.2
109.10160	10.5
111.11710	4.8
123.11727	6.9
131.07321	1.7
149.71782	1.4
150.47736	1.5
170.72087	1.4
190.95543	1.6
196.12234	1.6
281.57101	1.4
294.31534	3.2
296.70285	1.7
306.31509	6.0
308.33127	4.1
326.34076	5.6
336.32660	16.2
337.30853	2.9
345.71442	2.0
354.33658	100.0
355.07001	1.7
355.34125	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	3.8
55.05507	10.7
57.01884	2.2
57.03434	4.9
57.07045	3.0
65.03941	3.8
67.05508	96.4
69.07082	11.7
70.95012	5.6
74.40281	2.1
79.01315	2.3
79.05502	40.8
81.07059	100.0
83.08617	5.4
91.05486	20.2
93.07052	46.5
95.08611	62.4
97.06554	3.9
97.10183	3.6
105.07038	21.8
105.13149	2.4
107.08596	36.9
109.10158	37.5
110.14382	2.0
117.07024	9.4
119.08602	14.2
121.09312	4.0
121.10132	30.9
121.33438	2.4
123.11711	20.4
129.31758	2.2
131.08586	15.9
133.10129	9.2
135.11688	26.0
137.13251	9.5
145.10147	13.4
147.11649	9.4
149.13257	24.1
151.11188	3.7
151.14848	2.4
159.11711	10.4
161.13249	6.2
163.14815	10.6
173.13274	15.6
175.14836	5.3
177.16368	3.8
187.14839	5.6
201.16527	3.6
221.59589	2.3
224.79590	2.5
233.22649	6.5
243.21091	19.1
261.22159	91.8
261.24902	5.5
279.23276	5.7
323.19696	2.2
323.87448	2.7
335.25568	11.6
353.26904	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.53034	1.2
55.01867	1.3
55.05514	11.1
57.03440	4.4
57.07069	5.0
59.98921	1.2
65.03927	2.9
67.05507	84.5
69.07071	11.7
70.74334	2.1
70.74675	2.3
71.04992	2.5
71.08638	2.4
77.03984	1.4
79.05495	42.6
81.07059	84.4
83.05009	1.5
83.08613	6.6
85.06554	1.9
91.05482	21.6
93.07049	56.7
95.04977	2.9
95.08610	59.4
95.43913	1.2
97.06527	4.1
97.10191	3.6
99.08119	2.7
105.07028	17.6
107.08595	36.4
109.06558	1.7
109.10159	32.3
113.09665	1.3
117.07016	8.0
119.08578	15.9
121.09332	2.3
121.10148	29.4
123.11712	19.3
124.23468	1.2
125.09620	1.5
131.08565	21.4
133.10135	13.1
135.11693	30.6
137.09622	1.7
137.13257	9.4
139.11200	2.4
145.10146	17.2
147.11697	10.3
149.09610	1.7
149.13272	21.8
151.14810	1.8
159.11681	15.3
161.13287	8.2
163.14816	12.4
173.13290	16.9
175.14789	3.6
177.16365	3.6
187.14809	10.5
201.16371	3.2
231.78139	1.3
233.22667	4.3
243.21109	22.2
261.22147	100.0
262.22415	1.7
279.23254	3.8
335.25928	6.0
353.26868	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	1.1
53.03949	4.4
54.91178	1.1
55.05512	14.9
56.96556	1.3
57.03437	4.9
57.07080	5.1
65.03937	3.2
67.05508	89.4
69.07069	16.1
69.68246	1.0
71.04985	2.7
71.08640	1.5
75.04495	2.0
77.03925	1.1
79.05028	1.1
79.05497	46.3
81.07059	94.9
83.04967	1.1
83.08623	8.6
85.06555	2.4
91.05485	23.3
93.07049	53.9
94.02979	1.2
95.04961	3.2
95.08611	67.6
96.08903	0.9
97.06535	2.7
97.10162	3.6
99.08068	3.3
105.04498	1.5
105.07041	17.8
106.78212	1.1
107.08602	40.4
109.06541	1.4
109.10161	39.0
111.08103	2.7
111.11708	1.0
117.07019	9.8
119.08576	16.5
121.10145	32.0
123.08073	1.3
123.11707	22.1
125.09583	1.4
130.03423	1.1
131.08566	21.2
133.10156	14.5
135.11693	25.6
137.13237	6.0
139.11168	1.1
145.10115	16.3
145.40744	1.1
147.11700	11.9
149.13261	21.2
151.14891	2.6
153.12750	1.8
159.11690	15.8
161.13275	10.7
163.11185	1.1
163.14838	11.6
165.12842	1.4
173.13258	16.2
175.14778	3.0
177.16351	5.2
179.14310	1.1
187.14832	11.4
189.16389	1.3
191.14420	1.1
201.16391	2.7
205.15912	1.5
215.17989	1.6
233.22658	4.4
243.21095	21.5
261.22153	100.0
262.22418	1.7
279.23154	4.1
281.10483	1.3
298.11935	0.9
335.25824	5.8
353.26910	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.4
55.01877	1.1
55.05513	13.0
57.03434	6.8
57.07077	3.7
65.03938	2.9
67.05504	91.8
69.07067	13.7
71.04983	2.1
71.08629	1.0
74.96602	0.8
75.04469	1.4
77.03935	1.1
79.05493	37.5
81.03423	0.9
81.07055	100.0
83.04968	1.4
83.08627	6.7
84.49966	0.7
85.06541	1.9
89.33535	0.8
91.05478	20.1
93.07044	53.5
94.07311	0.7
94.45861	0.7
95.04971	1.7
95.08607	70.2
97.06533	2.5
97.10143	1.5
99.08097	1.6
105.04507	0.8
105.07027	16.5
107.08588	33.3
109.06499	1.4
109.10158	35.2
111.08081	2.1
113.09704	0.8
117.07003	9.8
118.82285	0.8
119.08580	13.1
121.10143	31.9
123.08061	1.6
123.11706	20.5
131.08565	17.8
133.10124	10.1
135.11696	24.6
137.09567	1.2
137.13257	8.1
139.11237	1.4
145.10115	13.3
147.11679	9.5
149.09732	0.7
149.13249	16.9
151.11134	1.2
151.14807	2.9
153.12810	1.7
159.11684	12.6
161.13252	8.9
162.94463	0.8
163.14819	9.7
165.12833	1.1
173.13272	16.0
175.14844	3.1
177.16444	3.0
179.14293	1.2
187.14824	9.3
201.16464	2.7
205.15845	1.7
219.17406	1.1
233.22618	3.9
243.21066	19.4
243.23387	1.3
261.22134	79.4
262.22638	1.5
263.23688	1.3
279.23178	5.5
335.25876	9.9
353.26883	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	353.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13635	0.5
51.02363	0.6
51.36079	0.5
55.01867	1.2
55.05515	1.1
56.05038	1.2
59.04992	2.2
66.41908	0.5
67.05495	2.0
68.99789	0.9
69.03413	1.3
69.07062	1.7
69.69920	0.6
70.06254	0.5
70.06590	3.6
71.50117	0.9
72.08166	0.7
78.09232	0.5
78.54004	0.6
79.05483	2.5
81.03408	0.8
81.07053	2.6
83.04966	0.7
84.04499	1.0
84.08146	2.2
85.02913	1.5
86.09692	1.7
87.04446	0.9
91.05479	4.8
93.07071	3.1
95.04955	2.3
95.08601	2.3
97.02908	0.9
99.04462	0.6
99.08070	0.6
100.83911	0.6
103.05454	1.8
104.06247	1.0
105.07043	3.5
107.04950	2.8
107.08585	4.1
109.02888	0.6
109.06503	0.7
109.10191	1.2
112.39747	0.5
115.05456	8.1
117.07007	4.4
119.04947	0.9
119.08566	2.8
120.08097	1.0
121.06483	0.6
121.10140	2.4
123.04456	0.6
127.08682	1.4
128.06226	30.2
129.07030	1.2
129.10251	0.8
131.04897	2.0
131.08597	1.7
132.05721	3.4
133.06487	1.1
133.10138	3.2
135.04439	2.2
135.08080	1.0
135.11676	1.2
137.02318	1.6
137.05984	1.3
137.09642	1.1
139.03902	0.6
141.06999	1.2
142.07788	1.0
143.04895	1.3
143.08562	41.0
145.06476	2.5
145.10156	1.0
147.04417	1.2
147.08017	2.1
147.11671	0.8
149.05981	0.7
149.09569	0.8
153.06952	1.3
155.06030	2.3
155.14316	0.6
156.05679	0.9
157.10027	0.8
160.05197	9.2
161.02345	0.8
161.06004	1.3
161.09578	0.6
161.13254	0.9
162.06786	1.6
163.03903	4.2
167.07100	1.1
171.08049	62.7
173.13289	1.1
174.06726	0.8
175.07544	100.0
176.08011	1.0
177.05557	1.0
177.09105	19.0
177.12646	0.7
181.04974	1.3
188.08369	3.3
191.03398	1.6
191.06981	0.6
191.14297	2.3
192.08017	0.7
203.10666	30.4
203.14346	1.0
221.11629	1.1
231.41014	0.7
233.15498	0.7
263.36011	0.6
289.17441	1.8
295.06143	0.8
297.07492	7.2
299.16452	0.6
307.05966	0.7
307.11710	2.4
324.06494	0.7
325.07056	17.7
335.18365	1.0
336.15988	0.8
353.06543	22.9
353.12860	2.2
353.19330	0.9
354.06918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0657
Annotation	Daphnoretin
Peak:m/z	Relative Intensity
51.94434	0.1
53.03943	0.3
55.01876	0.3
62.01620	0.1
62.64737	0.1
63.37554	0.1
65.03931	0.4
67.05175	0.1
67.05505	1.7
68.99445	0.1
68.99790	1.5
69.00163	0.1
69.03408	0.1
69.07051	0.1
70.06585	0.2
71.01353	0.1
72.08160	0.1
77.03902	0.1
79.05066	0.1
79.05497	1.5
81.03423	0.4
84.08138	0.3
86.09705	0.3
88.96698	0.1
89.03916	0.8
91.05478	0.9
92.99773	0.1
93.03397	0.4
95.04965	3.7
105.03379	0.3
105.04465	0.1
105.07003	0.1
107.04951	3.4
109.02879	0.1
111.04424	0.1
111.66093	0.1
115.05466	0.1
117.03384	0.9
119.03570	0.1
119.04900	0.3
120.08084	0.1
121.02866	1.7
123.00751	0.1
123.04420	0.5
129.03333	0.2
129.10233	0.2
131.01344	0.1
131.04916	0.1
133.02850	0.1
133.06442	0.1
134.03604	0.2
135.04413	7.4
136.04697	0.1
137.02344	4.5
137.03406	0.4
137.05966	0.2
143.01340	0.1
145.02846	1.7
145.03990	0.1
147.04411	0.4
148.01543	0.1
149.02351	0.9
152.06213	0.2
153.05394	0.1
153.06950	0.1
155.08453	0.1
159.04382	0.1
161.02336	4.9
161.05943	0.2
162.02977	0.1
163.03899	19.7
164.04216	0.1
165.01836	0.2
165.05449	0.2
165.06999	0.2
167.03403	0.2
167.08583	0.2
173.02359	0.6
175.03952	0.2
176.01021	0.7
177.01830	0.2
177.05458	0.2
177.06990	0.2
179.03270	0.3
179.08603	0.1
181.04951	5.9
181.06387	0.3
183.08034	0.2
189.01826	0.2
190.02606	0.3
191.03387	10.3
192.03821	0.1
193.06413	0.1
194.02133	0.2
195.08069	0.3
197.06007	0.1
198.06842	0.1
201.01869	0.1
203.03279	0.3
205.06473	0.3
208.03632	0.1
209.04398	1.4
209.06134	0.1
211.07576	0.3
213.05574	0.1
217.05057	0.1
219.02893	0.3
222.06711	0.1
223.07518	0.6
226.06203	0.3
227.06990	0.1
228.86433	0.1
229.08673	0.1
233.06052	0.1
234.06517	0.1
237.05389	0.3
239.07088	0.1
241.08537	0.1
245.04523	0.4
250.06241	0.1
251.07042	0.9
253.05049	0.1
254.05779	0.4
255.06473	1.2
261.05438	0.2
265.04968	0.1
268.07272	0.3
269.08069	1.4
271.06256	0.1
276.77625	0.1
279.06519	1.4
281.04523	0.1
282.05209	0.7
283.06003	1.7
283.99731	0.1
286.04675	0.4
289.04672	0.1
295.06015	3.8
296.06662	0.5
297.07553	34.0
298.07938	0.5
299.05563	0.3
307.05997	1.5
308.06763	0.1
309.07788	0.1
310.04718	2.2
311.05460	1.0
323.05533	0.7
324.06244	1.9
325.07037	87.1
326.07431	1.3
335.05463	0.2
353.06531	100.0
354.06946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	36.3
55.77229	7.0
56.00710	8.1
57.03440	11.8
57.07061	16.1
57.42025	6.9
61.37878	7.3
67.05510	46.5
68.30437	8.1
69.07078	64.0
71.04987	15.7
71.49857	14.0
79.05488	40.7
81.07063	85.4
83.08614	13.8
85.43605	8.5
91.05482	56.9
93.07050	83.9
95.04939	25.6
95.08598	88.7
97.06531	17.5
97.10172	14.6
105.07032	100.0
107.08611	79.4
109.06505	11.6
109.10146	59.9
110.12607	7.3
117.06995	14.6
119.08570	91.4
121.06516	10.9
121.10142	48.2
123.11694	26.1
128.06206	12.5
129.06958	10.0
131.08563	57.3
133.10117	38.9
135.08044	19.6
135.11685	26.2
137.13239	9.7
142.07777	15.1
143.08566	25.5
145.10136	61.4
146.07286	8.7
147.07994	13.9
147.11684	37.3
156.09325	18.1
157.10130	46.1
159.11635	39.5
161.09615	46.9
161.13263	20.0
162.62761	8.0
169.10165	14.7
170.10962	11.9
171.11665	39.4
173.13271	27.3
175.11067	15.4
175.14732	22.8
177.16373	21.8
181.10172	9.8
183.11734	10.6
185.13332	20.6
187.14737	11.3
189.16422	19.7
197.13260	12.4
199.14769	9.2
209.13301	20.8
211.14764	9.6
213.16330	13.8
237.16379	8.6
351.26547	25.1
351.30438	36.0
351.34415	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.7
55.01865	4.5
55.05505	17.8
57.03431	6.3
57.07061	3.3
65.67120	3.3
67.05505	50.6
69.03431	5.9
69.07082	15.4
70.67461	9.3
71.04978	4.3
79.05069	5.7
79.05493	64.8
81.03435	15.7
81.07053	51.8
83.08615	8.7
85.06522	5.1
88.28669	3.1
89.44277	3.4
91.05479	72.4
93.07046	79.5
95.04968	4.9
95.08613	38.7
97.02869	5.1
97.06529	7.3
97.10160	3.4
99.08091	5.4
105.07033	69.5
106.06350	2.9
107.08589	48.4
109.02853	3.0
109.06494	4.9
109.10167	14.8
117.07024	18.7
119.04967	4.6
119.07710	4.1
119.08578	62.5
121.10138	36.3
123.08074	4.3
123.11682	5.5
125.09618	4.0
127.03918	7.1
129.06999	9.6
131.08536	24.0
133.10126	60.1
135.08101	4.4
135.11690	34.0
143.08559	13.4
144.08109	5.4
145.10107	28.4
147.04338	3.4
147.11684	46.5
149.09572	4.7
149.13272	21.3
151.11264	5.2
155.08595	5.4
157.10152	14.0
159.11690	23.2
161.09616	5.1
161.13243	40.7
163.11183	5.2
163.14899	7.0
171.11731	16.5
173.13335	14.9
175.03873	5.9
175.14810	19.9
185.13261	14.0
199.14769	10.0
207.06540	11.3
213.16393	3.1
217.19550	4.0
231.21095	11.1
241.19518	38.7
259.20563	100.0
277.21591	4.4
319.09879	5.0
320.80984	3.6
333.24512	3.7
350.18225	3.1
351.11301	3.9
351.25629	59.8
372.43723	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01068	1.4
53.03937	4.6
55.01864	3.5
55.05509	18.8
57.03442	11.7
57.07061	5.1
65.03942	3.2
67.05505	50.9
68.12402	1.4
69.03403	2.2
69.07071	18.7
69.85054	7.4
71.04978	5.1
75.04488	1.6
77.03926	3.1
79.05492	72.0
81.03427	4.2
81.07055	61.3
83.04972	3.1
83.08612	9.3
84.31075	1.5
85.06535	4.9
85.69369	1.4
91.05481	56.2
93.07043	96.9
95.04958	5.3
95.08606	42.1
97.02914	1.7
97.06528	4.4
97.10176	2.6
98.20842	2.2
99.08083	3.3
103.05466	1.6
105.04510	2.3
105.07032	58.4
107.08599	55.3
109.02964	1.5
109.06512	4.5
109.10147	15.9
110.10535	1.3
111.08064	2.0
117.06998	13.5
119.08578	62.6
121.10149	47.8
121.11036	2.1
123.08066	3.1
123.11717	3.7
125.09595	1.6
128.06178	2.3
129.05507	2.3
129.06985	8.0
131.08572	23.3
133.10136	51.7
135.08047	3.1
135.11691	46.3
135.12721	2.2
137.05991	6.0
137.09619	3.0
143.08562	13.0
145.10132	21.9
147.10510	3.3
147.11687	54.7
149.09576	2.3
149.13258	26.6
151.11122	1.8
157.10115	9.9
159.11697	19.2
161.09648	4.4
161.11990	3.0
161.13268	40.8
163.11166	7.6
163.14801	11.1
171.11678	18.7
173.13248	13.7
175.11218	3.4
175.14851	18.6
177.12772	3.6
185.13257	14.4
187.14856	5.8
189.12753	4.2
199.14810	5.7
203.14366	2.6
207.13689	2.0
213.16434	3.2
217.15887	1.6
217.19456	7.7
221.15367	2.0
231.17458	3.9
231.21088	11.8
235.16953	2.2
241.19525	41.8
249.18706	1.5
259.20572	100.0
260.21054	3.2
260.23901	1.6
277.18222	3.2
277.21649	17.0
333.24252	8.3
340.01837	1.5
351.10956	2.1
351.25302	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	351.2529
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
53.03953	2.9
55.01873	13.7
55.05516	15.2
57.03429	2.0
57.07061	6.1
67.05503	20.3
69.03433	3.1
69.07070	17.4
69.14615	8.9
69.15041	5.5
71.04968	2.5
71.08619	4.8
79.05071	1.8
79.05494	17.1
81.06590	2.6
81.07056	34.9
83.04973	3.2
83.08617	3.7
91.05487	13.2
93.07040	23.0
95.04960	12.3
95.08601	25.9
97.06534	11.8
97.10169	3.1
99.08088	2.5
105.07027	17.5
107.04945	1.9
107.08585	13.9
109.06523	58.4
109.10155	8.5
117.07008	3.6
119.08601	12.2
121.06508	12.0
121.10137	6.4
123.08066	6.0
123.11694	3.3
129.06979	2.4
131.08565	8.9
133.10139	9.6
135.08066	10.5
135.11682	2.9
137.09622	3.9
141.96858	1.5
143.08540	2.5
145.10153	8.4
147.11710	10.3
149.09607	3.0
151.11209	1.7
155.08604	2.4
157.10139	3.0
159.11699	6.1
161.13231	2.6
163.11209	13.1
165.12756	37.1
171.11809	1.5
173.13277	6.7
175.11282	2.5
177.12762	3.2
179.14357	2.0
185.13344	1.5
187.14766	2.2
191.14320	6.7
197.13275	1.6
205.15923	1.8
221.15373	5.1
229.14314	2.6
233.15408	6.6
261.22171	9.9
271.20483	2.2
289.21628	78.6
290.22025	1.7
295.19040	8.9
333.24191	4.0
351.25317	100.0
351.29498	3.6
352.25677	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02812	1.7
53.03942	3.7
55.01869	2.7
55.05309	1.5
55.05513	15.7
57.02551	2.0
57.03423	5.3
57.07065	3.4
57.32867	1.5
59.15896	1.9
65.03923	2.5
67.05508	47.1
69.07066	19.6
70.08960	2.8
70.09358	4.6
71.04995	2.9
74.67622	1.7
77.03893	2.3
79.05495	61.8
81.03400	4.3
81.07060	48.4
83.04967	2.4
83.08603	6.8
85.06526	1.8
91.05483	64.4
93.07045	77.5
95.04955	5.2
95.08607	31.3
97.06520	6.3
97.10138	2.1
98.20859	2.4
99.08076	6.3
105.04540	1.6
105.07034	70.6
107.04970	2.4
107.08595	48.8
109.06502	4.1
109.10163	13.0
117.07021	17.6
119.08589	58.6
120.08878	2.0
121.09353	2.3
121.10152	33.7
123.08088	2.0
123.11692	2.1
125.09644	2.8
129.07059	10.3
131.08557	24.8
133.10136	56.0
135.11702	35.1
143.08568	11.2
145.09085	2.2
145.10136	25.0
147.10515	3.3
147.11688	50.4
149.09604	2.1
149.13274	22.0
151.11153	2.6
157.10124	12.1
159.11705	21.3
161.09615	1.9
161.12024	2.3
161.13278	40.4
163.11140	4.1
163.14793	7.9
171.11719	11.9
172.12132	1.8
173.13293	16.3
175.11116	2.5
175.14825	24.2
177.12721	3.6
179.14288	2.9
185.13252	17.6
187.14796	5.3
189.12726	4.6
189.16414	2.5
199.14836	7.5
203.14238	3.0
207.06517	2.3
213.16306	3.6
217.19475	4.9
231.17473	2.9
231.21001	10.8
232.92567	1.9
241.19513	36.4
259.20578	100.0
271.63055	1.7
277.21503	3.4
308.58252	1.7
351.25357	52.5
352.25381	1.9
354.33408	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	351.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01873	6.9
55.05500	2.1
57.03434	1.0
57.07069	0.9
59.83228	0.5
60.69270	0.6
65.03937	0.8
67.05508	3.3
68.57236	0.5
69.03414	1.4
69.07082	4.5
71.01344	1.1
71.04991	3.5
71.08637	0.9
71.50137	1.3
73.02911	1.6
74.19565	0.5
79.05499	4.0
81.03415	2.2
81.07050	5.4
83.04965	1.0
83.08612	0.9
85.02894	1.6
85.06516	0.8
91.04914	1.0
91.05481	17.2
93.07025	2.0
95.04941	1.5
95.08591	4.7
97.02892	4.8
97.06525	11.1
99.04440	1.4
103.05476	0.5
105.07018	2.2
107.08559	1.4
109.06521	1.8
109.10146	0.9
111.04433	0.7
111.08065	2.9
113.02364	0.7
115.07565	1.6
117.07021	2.0
119.08601	1.5
121.10167	1.2
123.04398	1.2
123.08080	2.4
125.06007	2.4
127.03915	2.3
127.07574	6.0
133.10120	1.0
137.09627	1.9
139.07539	2.2
141.09111	1.6
143.07068	0.9
143.08585	0.7
145.10109	0.9
147.08049	100.0
147.09106	6.0
148.08421	1.5
151.07529	4.3
159.11705	0.7
165.09122	4.7
169.08629	8.5
169.09970	1.1
187.09662	1.8
333.16998	1.5
351.18115	0.8
351.23041	1.2
351.30331	2.7
352.23941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
53.56366	1.5
55.05509	15.4
57.03444	10.5
57.07076	2.5
60.60240	1.6
67.05506	43.2
68.02046	1.6
69.03396	2.2
69.07073	18.4
69.30388	8.1
69.30814	6.9
71.04982	4.8
75.04491	1.6
79.05495	66.4
81.03384	2.1
81.07057	61.9
83.04961	3.9
83.08613	10.2
85.06533	5.3
91.05483	55.3
93.07047	92.8
94.49779	1.5
95.04942	4.6
95.08606	40.6
97.06516	4.7
97.10158	3.8
98.21466	3.2
99.08080	5.2
103.46648	1.8
105.04539	3.0
105.07034	61.5
107.08600	55.3
109.10155	11.7
117.07011	15.6
119.08578	54.9
121.10149	48.0
123.11681	4.5
125.09618	2.5
128.06300	2.1
129.07022	8.7
131.07741	2.1
131.08582	23.6
133.10139	45.4
133.13814	2.2
135.08070	3.3
135.10698	3.2
135.11690	42.7
143.08559	11.7
145.10156	21.7
147.07979	2.8
147.11685	52.8
149.09674	3.3
149.13251	27.0
151.11221	2.4
157.10117	12.1
159.11700	18.6
161.09579	2.2
161.13261	39.1
163.11168	3.7
163.14838	10.1
171.11653	14.6
173.13261	13.7
175.11186	2.7
175.14821	21.2
177.12741	4.2
177.16284	2.7
179.14381	3.0
180.20461	1.6
185.13249	12.8
187.14845	4.1
189.12753	2.9
195.59074	1.8
199.14833	8.3
203.14389	3.2
213.16370	4.2
215.18011	2.5
217.19582	5.6
231.21066	8.7
241.19496	41.9
259.20578	100.0
277.21582	21.1
282.63116	1.6
333.24326	11.8
351.25305	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	351.1262
Annotation	Estrone 3-sulfate
Peak:m/z	Relative Intensity
50.82447	0.4
56.96566	0.4
57.50024	0.4
58.46878	0.4
66.49030	0.4
69.17962	0.4
69.34748	3.4
70.06584	1.1
84.08137	1.3
85.02869	0.8
98.97591	0.6
101.00887	1.1
109.02907	0.7
113.00849	1.0
115.02415	0.6
116.07077	0.8
119.01941	0.9
120.65772	0.5
130.08621	1.0
131.01915	1.1
142.12291	0.6
143.12645	0.7
145.03441	0.6
147.48302	0.4
149.98717	0.4
155.01852	0.6
157.03496	1.7
161.02983	0.5
167.01953	0.7
169.03391	0.6
170.11717	0.5
173.02950	0.6
184.02168	0.6
185.02933	0.8
187.04401	0.5
188.12842	1.4
189.03703	1.2
189.13173	2.2
197.02885	0.6
201.00647	0.6
217.05559	0.9
235.06598	1.6
253.07838	2.0
261.08051	0.8
279.09329	0.7
280.37100	0.5
289.07700	2.4
307.08676	1.6
319.00879	0.5
333.06546	1.9
351.12619	100.0
352.12845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25044	0.6
68.99763	0.7
70.06589	2.6
71.49047	1.0
78.01322	0.6
79.05505	0.8
84.08145	1.4
85.02905	1.3
86.09708	100.0
88.85983	0.6
103.05453	1.2
107.04958	0.7
119.04984	0.8
120.08112	34.6
121.02866	1.5
121.08462	0.6
121.30566	0.6
122.03197	1.0
131.04956	1.1
145.02797	0.8
157.07648	0.6
157.13371	34.2
166.08652	25.8
185.12875	25.1
191.11848	1.8
237.12343	12.6
262.33133	0.6
270.92151	0.7
313.89352	0.6
322.07977	2.0
323.09140	2.2
326.20074	0.7
350.07474	8.3
351.08722	1.3
371.27542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1348
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03929	0.7
55.01858	1.2
55.05506	0.7
56.05016	0.3
56.22659	0.3
57.03188	0.2
57.03439	2.3
59.04981	0.4
60.04266	0.3
60.04526	3.9
61.02928	2.1
67.05490	0.7
69.03430	8.4
69.07056	0.9
70.06601	1.4
71.01335	0.8
71.04998	2.6
71.10506	0.2
71.50800	0.4
72.08137	0.8
73.02901	1.4
75.04465	0.3
79.05480	0.8
80.05852	0.2
81.03418	2.2
81.07043	1.0
83.59420	0.2
84.04504	0.6
84.08121	0.8
85.02908	1.2
85.06547	0.3
86.09689	1.0
91.05457	2.0
93.07050	2.6
95.08595	1.0
97.02879	1.2
98.03577	0.2
99.04450	1.8
100.11231	0.8
101.11539	0.3
103.05463	0.3
105.07024	0.4
107.08591	1.7
109.02889	0.5
109.10133	0.3
116.04977	0.6
117.05556	0.5
118.06525	3.5
120.08092	3.2
127.03818	0.5
127.08663	0.3
130.06511	0.8
131.06097	0.4
132.06779	0.6
132.08073	1.4
135.11708	2.4
136.06181	0.3
143.11713	0.3
145.07608	16.0
146.08330	0.6
147.04417	0.3
147.09169	21.5
153.12737	1.4
157.07582	1.8
159.09172	10.3
160.09979	1.5
161.10759	0.8
170.08316	0.3
171.09177	0.4
173.07065	2.1
173.10750	1.0
175.08685	1.5
180.10193	0.6
184.09821	0.6
185.10733	3.2
186.11504	0.7
187.08676	1.2
187.12315	0.9
189.10196	1.1
191.08151	100.0
192.08484	0.9
197.10745	1.4
199.08765	0.9
199.12347	1.8
200.09442	0.3
201.10251	1.1
201.12444	0.3
203.11838	0.3
211.08615	0.3
213.10210	1.5
215.11824	1.7
216.07684	9.8
219.11314	0.4
225.10182	0.7
227.08287	0.3
227.11707	0.6
229.15643	0.3
231.11183	0.4
233.09074	0.3
234.13467	0.3
243.11301	0.5
245.09219	0.8
245.12825	0.5
259.10812	0.4
263.13922	7.5
271.10806	0.9
277.22665	0.3
289.11801	3.5
307.12878	53.0
308.13193	1.0
314.26892	0.5
322.07910	0.4
332.28030	1.2
342.59671	0.3
350.13470	50.0
350.28827	2.4
351.13809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85541	1.5
55.05515	2.8
57.97048	1.7
60.04510	3.7
70.01171	6.6
70.06591	3.6
73.02888	2.5
81.07038	1.7
84.48774	1.6
86.09742	2.4
91.05476	3.4
100.11279	1.9
103.05437	1.9
108.84455	1.6
117.07027	2.1
118.06561	9.4
120.08098	1.6
121.75336	1.6
129.07007	5.6
129.10028	1.5
130.06529	100.0
132.08060	3.8
143.07344	2.6
144.08093	49.2
145.07568	4.5
146.06013	2.0
154.06516	2.5
156.08093	21.5
158.06012	2.2
158.09668	5.4
160.07541	2.6
168.08086	17.8
170.09679	2.7
172.07579	15.2
178.16354	1.9
180.08081	9.5
184.96562	1.4
186.09117	17.7
190.08640	23.2
195.09198	4.5
197.10757	3.6
202.08698	2.1
203.11803	2.0
204.10196	8.8
219.61877	1.7
221.10732	18.4
233.12904	4.7
256.10001	9.3
257.10837	7.4
258.11487	2.1
269.10806	11.6
270.11435	3.1
271.12314	19.9
273.13937	4.2
282.11542	10.2
285.13889	16.8
297.13840	22.1
314.16522	23.5
315.14844	4.9
332.13980	2.0
332.28061	1.9
333.15964	38.6
350.15134	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16188	3.7
50.55770	3.8
52.92923	3.4
53.03941	15.0
54.29398	3.6
55.01869	23.7
55.05508	27.4
56.81144	3.7
57.03437	33.1
57.07056	6.2
67.05506	87.5
69.03428	4.7
69.07071	68.8
70.80980	11.8
71.04984	5.2
79.05499	65.9
80.10271	3.4
80.75599	3.4
81.03423	35.7
81.07058	100.0
83.04962	21.2
83.08616	19.4
85.06541	7.7
91.05479	90.7
93.07043	73.5
93.24524	3.8
95.01321	20.1
95.04969	20.9
95.08615	76.1
97.06541	21.4
97.10145	8.9
104.11936	3.6
105.04562	4.3
105.07030	87.1
107.04943	47.6
107.08591	45.4
109.06514	15.7
109.10138	17.8
111.08066	5.0
115.05402	4.4
117.07011	20.3
119.08585	63.9
121.06526	9.2
121.10159	21.6
123.08086	19.3
125.09596	5.5
129.07030	4.3
131.08572	31.2
133.10132	58.8
135.08015	4.2
135.11688	14.3
137.09541	4.2
137.49963	3.9
141.06978	7.4
143.08563	8.3
145.06467	9.1
145.10114	31.3
147.11653	22.7
149.09636	11.3
149.13283	7.1
157.10167	6.7
159.11746	20.1
161.09605	4.3
161.13252	13.9
163.11259	7.5
165.09132	5.4
169.10069	6.0
171.11697	6.6
173.13249	7.1
177.12761	14.3
179.14343	24.5
187.11205	9.2
196.04814	3.8
219.17499	24.5
229.19437	6.3
247.20575	5.6
257.19016	8.1
275.20068	90.3
334.68439	3.8
349.23868	40.7
349.27777	7.9
352.12927	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	349.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45968	0.8
55.05499	3.3
57.07079	100.0
59.05008	15.8
67.05505	1.3
69.07059	2.9
69.68813	2.2
69.69226	2.4
70.00852	0.7
71.08634	91.2
79.05489	1.3
81.07045	2.4
83.08619	2.4
83.25278	0.8
85.10188	82.1
87.04427	1.0
89.06033	31.4
91.05499	1.1
93.07027	1.7
95.08622	1.2
97.10151	1.2
97.96761	0.7
99.11745	7.8
103.07578	1.3
105.07026	1.9
107.07063	1.4
107.08554	1.2
111.11700	0.8
116.45073	0.7
119.08599	1.1
130.08548	0.8
133.08614	13.7
141.16382	3.5
151.09682	8.7
152.18518	0.7
157.10213	0.8
177.11176	1.1
179.10631	0.9
179.73090	0.7
187.43538	0.8
188.18614	1.0
195.12260	2.6
199.20573	2.5
265.10056	0.9
349.24152	1.4
349.28870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	17.2
55.01870	22.5
55.05511	37.8
57.03447	19.3
57.07067	4.1
63.18700	2.4
65.03935	4.6
67.05508	83.3
69.03420	5.6
69.07069	58.5
71.04999	7.3
79.05495	95.2
81.03419	27.4
81.07056	100.0
81.07535	5.3
83.04964	22.5
83.08618	16.1
86.36700	2.3
91.05485	80.2
93.07043	75.5
95.01344	20.7
95.04987	19.6
95.08611	60.8
97.02892	3.7
97.06528	30.9
97.10155	8.9
98.21544	6.4
99.08100	3.3
99.17594	2.8
103.05416	4.4
105.04501	4.7
105.07034	92.3
107.04960	40.5
107.08590	49.9
109.06510	9.1
109.10144	24.3
111.08096	7.0
115.05487	4.0
117.07030	29.9
119.08592	55.0
121.06528	7.7
121.10145	21.5
123.04482	4.0
123.08070	12.1
123.11703	3.7
125.09632	9.7
129.07019	7.2
131.08577	36.6
133.10136	61.5
135.08060	8.3
135.11746	12.8
137.09592	5.6
141.06992	5.6
143.08571	8.8
145.06500	5.5
145.10124	31.4
147.07983	3.0
147.11708	31.7
149.09593	29.7
149.13266	9.5
151.11153	4.8
156.09325	2.6
157.10149	5.2
159.11681	28.4
161.09618	4.0
161.13260	8.7
163.11246	6.8
165.09113	3.9
169.10109	5.9
171.11772	3.7
173.13324	10.3
177.12732	9.7
179.14339	27.9
183.11650	6.0
187.11191	8.0
193.12106	3.3
205.12396	3.0
209.15337	3.3
211.14851	4.6
229.01425	8.8
229.19501	3.7
239.18001	3.7
247.20506	4.0
257.19016	12.1
275.20074	79.0
294.90295	2.8
349.23758	40.5
349.27609	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	15.7
55.01859	16.5
55.05301	4.2
55.05512	41.6
56.96547	6.4
57.03432	17.8
67.05510	94.3
69.07075	52.6
70.06580	7.0
71.05000	5.4
71.49358	8.0
79.05492	100.0
81.03419	30.9
81.07062	73.9
83.04963	15.4
83.08607	13.0
85.06554	8.7
90.34280	4.2
91.05486	75.6
93.07055	72.0
95.01331	10.3
95.04974	25.1
95.08614	59.8
97.02895	5.3
97.06522	29.4
97.10166	9.1
98.97559	4.7
105.07035	80.0
107.04310	6.3
107.04959	43.1
107.08616	56.3
109.06522	9.2
109.10150	19.7
111.08049	10.1
117.07014	14.0
119.08573	49.6
121.06490	9.8
121.10176	21.8
123.04382	7.3
123.08092	11.0
123.11686	7.1
125.09658	8.5
129.07010	8.6
131.08559	31.0
133.10141	49.3
135.11668	13.3
137.09602	6.2
141.06950	5.2
143.08531	5.9
145.06387	6.1
145.10141	23.4
147.11713	23.0
149.09618	33.4
149.13217	10.0
154.19521	5.1
155.08549	6.4
157.10185	5.9
159.11652	17.2
161.09593	5.9
161.13205	8.8
163.11148	6.1
173.13239	12.3
179.14293	18.4
195.11638	5.1
197.13304	10.4
223.13356	4.8
229.19514	5.3
257.18942	13.5
275.20105	50.7
318.14212	5.2
349.23984	44.3
359.18961	4.3
367.59238	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03758	1.8
53.03950	20.0
55.01876	21.4
55.05515	27.5
56.24009	1.6
57.03441	16.2
59.59903	1.6
65.03922	5.0
67.05506	78.9
69.03427	6.0
69.07072	71.0
71.04975	5.0
71.49684	1.8
77.03949	1.7
79.05496	61.0
81.03423	35.7
81.07056	87.2
83.04976	15.9
83.08618	11.7
85.06522	5.6
91.05484	77.4
93.07049	66.6
95.01326	26.5
95.04392	1.8
95.04969	23.8
95.05504	2.8
95.08609	56.4
97.06531	30.3
97.10158	5.4
99.08096	2.1
103.05481	3.7
105.07034	100.0
107.04957	44.0
107.08598	27.2
109.06491	8.5
109.10161	10.6
111.08075	7.2
115.05425	2.0
117.07019	22.5
119.08586	50.5
121.06499	7.3
121.10144	13.6
123.04389	5.1
123.08081	11.8
125.09615	2.3
129.07011	5.4
130.07678	2.0
130.33887	1.6
131.08574	35.1
133.06494	3.1
133.10138	56.5
135.08043	7.8
135.11708	14.7
137.09595	5.0
139.07515	2.3
141.06990	4.8
143.08585	8.5
145.06525	8.5
145.10135	25.5
147.11703	21.6
149.09628	14.2
149.13284	12.6
151.11205	3.7
155.08562	4.2
157.10127	4.6
159.08047	4.1
159.11700	23.3
161.13275	9.1
163.11212	8.2
163.14821	2.0
165.09189	1.9
169.10153	6.1
171.11676	4.0
173.13245	5.4
177.12781	12.1
179.14310	26.5
183.11742	3.7
187.11143	7.9
195.13741	3.4
205.12234	4.4
210.12135	1.7
223.13292	1.9
229.19363	3.0
239.17943	5.7
247.20552	4.0
257.19135	8.6
275.20068	66.2
349.23734	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.5
53.03944	19.5
55.01873	25.1
55.05265	2.8
55.05514	31.5
57.03442	20.3
57.07076	2.7
62.46958	1.6
63.70400	1.6
65.03941	3.7
67.05505	85.1
69.03423	4.4
69.07069	71.7
70.06606	2.3
70.54678	5.3
71.04980	4.4
77.03918	2.3
79.05495	70.4
81.03419	37.7
81.07056	89.8
83.04992	18.0
83.08614	13.1
85.06537	4.9
91.05484	83.5
93.07046	74.0
95.01335	26.2
95.04968	20.9
95.08607	63.9
97.06533	34.5
97.10155	5.1
99.08105	3.9
103.05440	3.7
105.04529	3.1
105.07034	100.0
107.04957	44.9
107.08598	29.3
109.06494	7.7
109.10159	12.8
111.04382	2.3
111.08089	5.9
115.05463	1.8
117.07017	24.3
119.08580	49.8
121.06500	9.5
121.10157	14.8
123.04428	5.4
123.08080	14.3
123.11702	3.3
125.09628	3.6
129.07025	6.4
131.04965	2.1
131.08574	36.3
133.06488	4.5
133.10133	62.2
135.08054	7.7
135.11685	17.6
137.09621	3.6
139.07515	3.1
141.06963	7.3
143.08574	5.8
145.06491	8.8
145.10121	29.4
147.08020	2.1
147.11696	30.7
149.09615	13.7
149.13280	11.6
151.11220	4.0
157.10118	6.2
159.08083	3.1
159.11700	25.2
161.09656	1.8
161.13248	11.8
163.11176	6.4
165.09140	3.3
169.10141	5.0
171.11681	4.5
173.13278	5.3
177.12726	15.0
179.14314	37.3
183.11682	4.0
185.13293	2.7
187.11218	11.3
187.14755	2.4
189.12749	2.0
194.53951	1.7
195.13715	2.7
197.13239	4.7
205.12151	2.6
207.50629	1.6
219.99321	1.7
223.13429	2.8
229.19662	3.8
239.17984	3.3
247.20667	3.9
257.19019	8.3
269.10410	2.3
275.20065	65.4
276.20609	2.6
285.10355	1.8
302.44785	2.1
318.14075	2.1
349.23901	34.2
349.31113	2.2
370.79120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01880	1.5
55.05503	4.5
56.05038	3.8
57.03440	10.1
58.99586	12.3
60.04509	1.4
60.95958	1.1
69.07074	1.8
70.06590	9.5
72.08152	3.2
76.02229	12.0
76.81958	1.1
78.38602	1.3
79.05494	12.5
81.07056	100.0
84.04507	80.7
84.08159	9.3
85.01128	4.1
85.02903	3.0
86.00632	7.3
86.06062	3.3
86.09721	4.6
86.99052	13.9
87.02694	57.1
91.05482	1.4
96.39631	1.3
98.09721	3.9
99.08101	12.6
102.05541	3.4
105.00083	14.3
107.68885	1.4
110.07189	1.6
113.04221	2.4
115.82992	1.2
122.02733	63.1
129.10213	3.6
130.05006	14.0
130.94193	1.3
132.01166	17.9
142.03236	4.5
156.08446	4.2
157.06807	2.7
159.04756	13.4
174.09479	2.7
176.07381	1.5
188.03764	5.1
202.08972	93.4
203.07388	28.3
203.09274	2.2
210.11212	2.3
220.10030	17.3
234.04355	3.5
238.31758	1.3
251.07053	3.3
286.10995	4.8
289.11847	1.8
317.11417	3.0
331.13220	5.5
332.11557	3.5
343.75330	1.2
349.14169	17.7
349.18332	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	349.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02982	3.7
55.05498	3.3
57.03423	3.6
60.15776	0.8
66.80971	0.8
67.05499	1.4
68.05047	1.2
69.07053	1.3
70.06591	37.1
70.84294	2.2
72.08154	60.7
79.05492	1.9
80.04996	0.8
81.07051	2.8
82.06583	1.7
83.08620	0.8
84.08131	3.5
91.05479	1.6
91.75255	0.9
93.07053	1.7
94.06556	3.0
95.08607	1.1
97.07657	24.2
98.97778	0.8
103.05505	0.9
105.07019	2.2
106.06504	0.9
107.08581	2.3
109.10152	1.1
112.08744	5.7
112.09363	0.9
114.10291	59.1
119.06088	0.8
119.08610	1.2
120.08128	4.0
122.09647	2.0
129.10184	1.8
131.08575	2.0
132.08081	2.4
133.08859	1.0
133.10101	1.1
134.09650	18.8
135.10448	2.2
136.11203	6.4
138.09151	1.3
138.12782	1.1
145.10072	1.5
146.09662	3.2
146.86137	0.9
147.04353	0.8
147.09299	1.2
147.10432	8.1
147.11511	1.3
148.11208	12.7
150.09135	3.6
157.60487	0.9
158.09546	1.4
159.11639	1.4
160.11217	12.2
161.11987	2.2
161.80598	0.8
162.11542	1.4
162.12798	2.1
163.03882	2.0
167.13437	0.9
172.11244	0.9
173.10680	1.4
174.12785	16.5
175.08704	1.9
175.13585	6.2
176.14336	6.8
184.11223	1.0
188.14331	8.2
189.15154	6.0
190.12263	1.9
190.15916	11.0
191.15421	10.2
192.13840	10.5
194.15410	2.3
204.13826	12.9
215.15453	2.6
217.13422	3.2
218.18933	1.3
228.17456	2.5
229.13431	3.3
232.18202	0.9
234.99854	0.8
246.18524	28.9
263.21124	3.1
270.19791	1.3
271.18011	7.0
288.20691	35.7
305.23349	100.0
306.23727	1.8
332.19812	1.1
349.22348	36.9
350.28918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0894
Annotation	Pibocin B
Peak:m/z	Relative Intensity
51.44444	0.5
56.05027	0.6
57.03438	1.5
58.99596	1.5
68.11023	0.5
70.06586	1.4
70.96047	0.9
72.08149	0.6
76.02221	1.4
79.05489	2.1
81.07069	12.3
84.04507	9.2
84.08147	0.9
85.02892	1.0
86.00642	1.2
86.99045	1.3
87.02692	6.0
99.08090	1.1
105.00084	1.6
110.54821	0.5
113.04202	0.6
122.02740	6.6
130.05042	1.4
132.01123	1.5
135.29607	0.5
142.03203	0.6
147.04379	1.2
159.04720	2.0
185.04256	2.0
187.03685	2.8
188.03807	0.6
189.05400	0.5
202.08969	10.5
203.07413	4.8
220.10133	1.8
247.04602	1.0
286.11166	0.6
321.07751	0.9
331.12976	1.6
349.08960	100.0
350.09149	1.3
367.08939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
56.05026	1.8
57.27477	1.4
61.02929	3.2
69.03436	5.8
70.06598	16.0
72.08144	3.8
74.06084	2.3
81.03428	3.4
82.07397	1.6
84.04518	8.2
84.08143	5.3
85.01145	4.8
85.02908	20.3
86.09703	4.0
87.25772	1.6
88.04014	3.1
91.05492	14.4
95.04959	4.4
95.08604	1.9
97.02894	7.3
102.03757	2.8
109.02893	2.5
116.07103	4.0
119.04959	13.0
120.08149	1.7
123.08077	5.8
127.03938	3.1
129.10245	2.9
136.05228	3.1
136.06204	6.8
137.05983	1.8
145.04988	4.2
150.06630	1.8
151.07555	100.0
156.06558	2.2
164.28151	1.5
168.10178	9.7
169.08609	6.5
177.23238	1.6
179.01547	1.8
180.08598	1.6
186.11240	10.3
201.95757	1.6
285.16470	1.6
348.13165	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1765
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
55.01869	4.2
56.05043	17.0
56.05283	3.4
57.03453	3.0
58.06591	7.2
60.04532	4.2
69.03426	3.6
69.07053	3.7
70.02945	5.8
70.06593	7.7
71.48539	3.5
72.08151	3.9
72.55313	2.6
74.06087	60.3
81.03429	3.0
81.96323	2.3
82.06567	11.4
84.04514	35.1
84.08134	4.0
85.02901	7.8
85.93535	2.8
86.09711	71.2
88.03989	28.7
91.05464	2.7
95.04991	5.4
98.06078	2.8
100.07615	15.3
101.07140	5.0
107.04973	4.0
110.06055	5.0
111.05577	6.2
112.04018	2.4
112.11241	2.8
120.08137	2.8
123.04427	5.6
123.08073	7.5
126.05524	53.1
129.06624	24.7
132.10205	30.3
136.06210	11.0
136.07599	3.3
141.10213	2.9
141.13879	4.1
144.06564	100.0
151.07547	7.7
153.06578	3.9
154.05014	5.9
168.10194	13.8
169.13358	2.7
170.09311	2.9
171.07684	24.0
173.05553	3.8
178.02022	2.6
186.11238	11.7
188.12775	2.9
189.08714	88.8
197.12920	4.7
199.07162	10.7
201.06583	3.5
217.06277	2.9
217.08203	75.2
227.17546	2.8
233.14970	7.5
243.13364	7.2
247.12871	3.0
284.16101	8.6
312.15497	2.7
330.16882	12.1
348.17575	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	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91680	1.0
55.01871	0.9
57.03425	1.0
60.04526	2.0
61.02918	1.1
61.60561	0.8
67.05505	1.3
69.03420	4.5
69.07072	40.1
70.06593	5.9
71.27428	1.1
72.49937	0.8
81.03413	3.7
84.04505	1.6
84.08152	1.9
85.02439	1.3
85.02911	17.0
86.00589	0.9
86.09683	1.8
93.03403	1.0
95.04959	3.3
97.02907	5.9
97.06516	5.6
99.04459	1.2
109.02876	2.3
111.04457	1.1
112.07609	4.5
123.04438	4.0
127.03922	4.0
136.06186	3.2
140.07077	41.4
146.52136	0.9
154.08627	1.0
157.07637	0.9
164.07086	1.0
168.06573	100.0
169.05017	0.9
169.06892	1.0
182.08159	13.9
186.07643	15.5
186.11270	3.7
206.08131	1.3
210.07631	23.8
228.08594	1.6
234.07645	3.3
276.08685	2.5
332.69165	1.1
346.10498	1.0
348.13171	4.7
348.16992	1.4
351.46716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
56.05028	0.9
57.03438	1.9
60.04520	3.5
61.02919	3.7
65.03945	1.0
67.05503	2.6
69.03436	6.9
69.07076	1.1
69.68366	4.2
70.06588	2.0
72.08138	1.7
73.02928	1.5
81.03407	3.7
82.06602	1.1
84.04494	2.8
84.08179	1.9
85.02905	27.4
86.09712	14.5
88.03988	2.4
91.03951	2.1
94.06554	1.4
95.04964	2.4
97.02883	9.9
98.21469	2.0
98.98484	2.1
102.05546	2.2
109.02867	2.4
112.27802	1.0
115.03933	1.1
119.03539	1.4
121.02806	1.4
122.02719	0.9
122.06036	2.2
123.04432	100.0
127.03909	4.6
130.05005	1.6
135.04466	1.4
136.06190	70.4
139.03920	3.6
140.07079	2.8
145.04936	6.2
148.06052	3.4
151.03902	25.4
154.08705	2.1
158.05942	1.0
164.99490	1.8
167.07108	1.5
168.06613	2.2
169.04965	47.2
173.12878	1.6
174.14949	1.6
176.08159	7.6
180.08665	2.7
182.08148	3.4
184.06004	0.9
186.07742	2.5
188.08215	8.8
191.03419	3.8
201.12338	1.8
203.09418	4.6
214.06149	6.5
215.13870	1.3
231.08684	1.4
235.09221	4.7
237.67210	1.2
259.08231	2.0
303.10840	10.4
348.07089	5.8
348.13077	21.5
348.17151	1.1
349.10544	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	347.1854
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
52.49836	3.9
53.03929	6.4
55.01863	6.7
55.05487	9.3
56.22774	3.6
56.52608	3.7
56.96552	7.5
57.03442	10.9
60.04516	16.5
64.77235	4.4
65.64008	3.8
67.05499	29.3
69.03416	12.9
69.07057	10.8
70.06582	9.9
71.49902	4.7
72.08175	5.0
79.05492	64.7
81.07059	58.4
81.78613	3.9
82.06606	4.1
83.05001	4.9
83.08627	5.4
84.08138	13.0
85.06548	4.8
86.09711	21.5
87.04456	5.8
89.06013	4.1
91.05473	61.9
93.07043	65.6
95.04954	12.3
95.08605	74.4
97.06528	11.8
98.97578	10.5
100.11240	5.7
105.03388	6.0
105.07028	64.4
105.07696	6.4
107.04935	9.1
107.08593	47.6
109.06505	16.6
109.10143	14.1
111.04472	4.0
115.05353	5.8
116.06250	4.3
117.07025	30.8
119.04955	6.7
119.08585	32.8
120.08101	12.0
120.97580	3.7
121.06500	10.0
121.10124	19.0
123.04465	8.1
123.08077	11.2
123.11754	7.4
125.06013	4.7
125.09635	6.8
129.07007	17.9
129.10223	5.4
131.08549	28.2
132.98145	4.1
133.06494	8.7
133.10138	40.9
135.08063	22.4
135.11691	6.3
136.06226	4.4
136.07591	13.8
137.05978	8.1
137.09631	14.2
139.03899	31.9
141.06972	11.0
142.07858	4.1
143.08549	25.0
145.10141	31.2
147.04431	5.4
147.08044	12.2
147.11690	6.7
149.05995	5.2
149.09619	74.5
149.13208	4.3
151.03897	6.9
151.07532	69.6
151.11198	12.4
153.05473	8.4
155.08572	13.2
155.38417	4.6
157.06512	5.7
157.10152	18.1
159.08002	7.5
159.11725	12.7
161.06039	9.5
161.09604	13.3
163.07532	17.8
163.11160	5.5
164.06998	8.4
165.05518	19.1
165.06975	5.4
165.09105	38.8
166.08736	4.6
169.10127	15.4
171.08032	6.5
171.11687	16.0
173.09564	7.1
175.11168	5.0
177.05495	6.1
177.09116	5.9
179.08583	5.8
179.10555	6.9
181.10153	12.4
183.08060	6.9
183.11754	11.5
185.09607	5.8
185.13329	6.1
187.11179	8.4
189.05516	5.8
189.09113	6.0
191.10666	12.1
191.14221	5.0
195.11702	12.8
197.13293	13.5
199.11137	9.7
199.14874	8.3
203.10645	11.2
207.06429	5.5
207.10100	6.5
209.13245	12.2
211.14854	7.9
213.12798	7.8
217.12279	7.7
223.11142	6.6
223.14821	7.9
225.12755	7.7
227.14374	5.9
227.17926	8.7
237.16409	20.7
239.14409	5.7
241.15860	12.4
252.06912	4.2
255.17421	38.3
257.15381	6.8
258.46625	4.4
259.17007	30.4
265.15891	27.9
271.17001	5.5
273.18649	21.2
283.16898	82.4
301.14716	5.4
301.17950	90.1
311.16446	30.4
315.09460	8.1
325.14343	6.3
329.17480	100.0
347.07407	7.2
347.11728	5.5
347.18668	44.9
347.26306	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	346.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36921	2.5
55.05510	6.5
56.05042	2.7
60.04537	11.4
62.66646	2.5
67.05503	8.7
69.07070	6.5
70.06587	13.8
71.04989	4.0
71.49245	2.9
72.08162	3.2
74.06085	2.7
79.05487	6.7
81.07052	16.3
84.04514	4.8
84.08151	4.2
85.02908	4.2
85.06540	6.7
86.09719	18.1
88.04015	11.6
91.05478	20.7
93.07047	24.1
95.04964	5.7
95.08601	11.0
97.06515	5.4
99.08120	3.9
105.07027	32.9
107.08605	17.3
108.13786	2.9
109.06527	4.6
109.10160	10.1
117.07072	2.5
119.08575	13.7
120.08141	4.4
120.99599	3.9
121.06496	2.9
121.10146	6.9
123.08060	3.5
124.07608	4.4
127.02171	4.6
131.08578	22.2
133.10130	100.0
135.08046	5.3
136.07590	4.9
138.02219	5.4
143.08598	3.1
145.10141	9.9
147.11720	13.1
149.09650	4.6
149.13261	12.1
151.03987	4.0
151.11221	4.7
158.10945	6.0
158.97183	2.6
161.13164	3.6
164.07010	2.6
165.07375	4.2
173.13271	34.0
184.13358	10.6
191.14319	26.6
209.15361	16.0
223.11517	5.7
241.12613	18.6
259.13629	5.5
328.15833	6.5
328.24979	4.5
346.16876	51.3
346.25919	9.4
347.16736	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	346.2336
Annotation	Ile Thr Ile
Peak:m/z	Relative Intensity
56.05033	6.8
57.03445	1.1
57.21698	0.6
58.06599	2.1
60.04511	1.2
61.77026	0.7
67.05500	1.1
69.03442	1.1
69.07065	2.8
70.06586	4.3
71.34119	0.8
72.08141	1.3
74.06082	36.2
77.19192	0.6
79.05488	1.2
81.03420	0.8
81.07042	1.2
84.04510	3.3
84.08138	2.2
85.02902	1.6
86.06075	2.1
86.09707	100.0
87.07149	0.7
93.07035	0.9
95.08610	1.2
96.04492	1.2
96.08188	0.8
97.02898	0.9
100.07614	1.1
101.07159	4.8
103.03954	0.9
105.07014	0.9
107.08586	0.9
116.07069	1.0
120.08099	2.6
121.10159	0.7
122.02751	1.6
123.04401	1.0
124.07608	0.8
124.11256	1.3
125.10749	4.4
126.12804	0.8
132.10216	8.8
133.10144	1.1
134.08490	0.7
136.07510	0.8
138.02235	1.2
141.13901	1.8
142.12277	17.4
143.11787	1.5
149.09633	0.8
152.10712	8.1
164.41014	0.7
166.08730	0.8
169.13402	4.7
175.08665	0.7
184.13358	2.4
187.14423	48.6
197.12814	4.7
207.13802	0.8
215.13914	35.3
233.14983	17.9
241.12479	0.8
243.13492	3.0
315.83078	0.7
328.22345	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04357	11.3
55.05503	38.9
57.03447	12.3
60.04496	10.9
67.05508	79.2
69.07053	32.8
69.93516	38.5
70.06569	12.7
79.05484	39.9
79.51808	11.5
81.07042	49.7
83.08607	28.5
85.06509	12.6
91.05474	26.7
93.07023	37.2
95.04943	16.1
95.08577	32.0
97.10165	16.1
98.20807	15.7
105.07024	32.0
107.08586	49.3
109.10177	71.6
119.08586	16.6
120.08102	11.3
125.09637	21.2
126.15858	10.9
133.10097	13.1
145.10085	16.1
155.10651	22.1
173.11713	100.0
189.11288	12.9
195.13667	12.2
222.08055	11.9
275.19995	19.4
300.09464	12.3
314.10916	13.5
346.13437	15.1
346.20129	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	346.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87811	0.6
52.61285	0.6
53.80051	0.6
53.97004	0.5
55.01862	1.5
55.05513	1.9
55.38308	0.5
56.05032	0.6
57.03432	0.9
57.57494	0.6
57.93938	0.6
58.99583	1.1
60.04544	3.0
67.05504	3.9
69.03419	1.3
69.07085	1.4
69.51611	0.7
70.06590	3.0
71.04979	1.3
71.22930	1.0
72.08150	1.6
73.08708	0.6
76.02226	2.4
79.05518	1.0
81.03440	0.7
81.07046	4.6
82.06575	1.5
84.08145	2.2
85.02916	1.2
86.00641	0.9
86.09703	4.9
86.99036	1.6
88.03998	1.7
91.05470	2.8
93.07053	2.6
95.04963	0.7
95.08610	3.9
97.06554	0.9
97.10175	1.0
100.02188	1.0
105.00089	2.0
105.07030	2.3
107.04948	1.3
107.08585	3.8
109.06524	1.2
109.09438	0.6
109.10152	12.6
112.29722	0.6
113.09653	0.7
116.07096	1.0
119.08598	6.1
120.08088	2.5
121.06487	1.9
121.10159	5.5
122.01856	1.4
122.02731	23.1
122.07279	6.9
123.08064	1.8
123.11700	2.3
124.07631	1.2
125.05988	1.3
125.09612	1.1
132.01137	2.8
133.10078	1.6
135.08051	1.8
135.11697	1.6
137.06038	1.3
137.09619	100.0
138.09990	0.8
139.11174	2.3
140.05272	1.3
146.02730	2.0
147.08078	1.3
147.11693	2.1
149.09636	3.3
155.10672	0.7
159.11803	0.7
161.13242	1.8
163.03812	0.8
163.11127	1.6
165.09140	2.1
166.00420	0.7
166.12325	3.0
167.10735	1.6
177.12730	2.4
181.12244	0.9
183.05492	1.0
183.10158	0.7
184.13329	14.9
185.07162	0.8
186.05862	2.6
189.12677	1.0
207.13802	5.5
225.14861	5.5
228.10606	0.9
243.07668	2.4
254.08487	0.6
258.11584	1.7
297.97220	0.6
300.16376	1.1
328.15591	1.2
329.14185	3.6
346.06494	0.9
346.16812	26.8
346.25714	1.0
347.16672	0.8
360.35757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
57.03423	7.5
61.02924	12.2
69.03439	20.6
69.07043	3.5
70.06585	6.3
70.81066	8.3
73.02926	4.8
81.03411	13.3
85.02910	100.0
86.09723	10.4
87.04452	3.5
91.03951	5.4
97.02902	24.5
99.04467	5.3
107.04964	75.7
109.02880	9.1
113.16364	3.1
127.03929	22.5
145.04962	37.8
149.05988	28.5
159.94960	3.2
163.06024	5.5
167.07062	11.2
169.06467	3.2
173.06052	5.0
180.08694	13.3
184.09723	3.8
188.11319	2.8
215.06931	8.3
233.08162	6.0
241.16557	3.0
292.93924	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.9
59.39014	2.4
59.45016	2.7
60.27037	3.0
61.02928	9.4
66.71620	2.7
66.92679	3.5
69.03429	23.5
69.07082	3.6
70.06593	23.1
70.28373	6.8
70.28776	6.2
71.04997	3.3
72.08141	3.8
73.02927	6.3
81.03426	6.9
84.08159	5.0
85.02903	100.0
86.09705	28.3
87.10065	2.8
91.03950	3.8
97.02891	27.8
99.04465	5.6
99.41990	3.0
105.07031	9.2
105.86353	3.0
107.04948	74.2
109.02888	6.6
109.45440	2.7
116.07104	19.4
119.08575	7.6
121.06532	4.3
122.02731	12.7
123.08083	5.7
127.03934	19.9
145.04953	41.5
147.08060	14.8
147.90996	2.8
149.05988	25.1
154.04953	3.6
161.09671	4.2
165.09137	6.5
166.08684	5.9
167.07068	13.3
167.08353	3.2
168.50468	3.3
169.08467	3.2
173.06007	7.0
180.08646	11.4
184.09676	7.8
195.08064	5.1
207.10110	30.7
215.07002	6.8
225.14806	5.2
233.08002	6.3
237.09108	5.0
249.95758	3.1
257.08215	4.0
273.12387	8.5
283.09677	9.0
320.91644	3.2
329.10364	8.3
337.18335	3.2
341.11343	6.6
346.06732	4.3
346.14679	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	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27932	2.5
63.11243	2.1
70.04429	4.6
70.04845	7.8
70.06595	7.7
75.52549	2.4
79.05491	3.1
81.07036	2.9
84.08149	5.1
86.09721	4.6
91.05473	9.7
93.07035	3.9
95.08649	3.1
98.21435	3.3
103.05476	10.1
105.07046	3.6
117.06998	5.1
119.04999	2.7
121.06497	3.4
122.03630	6.3
123.04446	4.5
123.08087	2.3
129.10509	2.4
131.04916	25.2
137.05972	59.3
137.06964	4.6
143.08453	2.8
151.03914	6.0
151.07571	17.9
151.23192	2.5
161.05959	3.4
162.06711	6.1
163.03938	3.0
163.07553	47.9
171.08060	2.7
175.07570	8.7
177.09109	100.0
191.03407	5.0
195.10237	8.1
203.10696	4.1
221.11697	7.6
261.23322	2.5
299.12775	4.5
313.10510	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	346.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90441	0.5
56.05031	0.7
57.03436	0.5
58.01103	0.5
65.03957	0.5
66.64759	0.5
69.03435	2.2
70.06600	1.7
70.54382	1.2
70.54743	0.9
72.08151	1.3
81.03417	0.6
84.04500	0.7
84.08147	1.5
85.02911	3.5
97.02889	1.1
116.07072	1.0
120.04464	1.3
127.03807	0.5
136.03996	0.6
138.05484	2.8
148.03934	53.2
154.04880	0.8
166.05008	98.3
167.05365	0.7
168.08926	1.6
175.11902	0.6
178.07684	0.5
179.08118	1.0
180.08771	0.5
184.06059	100.0
192.08925	1.3
194.10649	0.7
196.08372	1.8
214.08200	0.9
219.07819	1.0
220.08441	2.1
222.09796	0.9
223.07202	0.8
224.07921	1.1
237.11064	2.9
239.12622	2.3
240.10210	0.6
241.10510	2.2
254.13734	1.2
255.12010	0.7
266.08835	1.4
270.08344	1.0
283.11609	6.7
300.14212	3.4
301.12521	0.8
312.09308	0.6
329.12180	3.8
346.11179	2.4
346.14865	2.0
346.20642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01880	0.7
55.05510	1.1
65.03941	0.8
67.05507	3.2
68.05032	1.6
69.03422	2.2
69.07061	5.2
70.06600	3.1
71.04994	0.5
74.06091	0.6
74.10394	0.5
76.02215	1.0
77.38003	0.4
79.05486	1.8
80.05014	1.0
81.03403	0.9
81.07055	3.1
83.04973	0.7
83.08635	0.5
84.04510	0.9
84.08141	1.7
85.02919	1.3
85.06532	0.7
86.09721	4.4
87.10062	0.7
89.03925	1.7
91.05492	1.4
93.05780	0.8
93.07037	0.9
94.06572	14.5
95.04970	2.2
95.08569	1.3
97.02825	0.5
97.06550	1.0
99.08092	1.5
105.07035	1.0
107.08556	0.7
108.08131	2.0
109.02886	0.9
109.06522	1.2
109.10122	0.5
110.06033	2.1
112.07619	1.5
116.04219	0.8
116.04979	7.9
119.08568	0.8
121.10126	1.6
122.02721	3.5
122.06034	26.0
123.04456	2.8
123.08069	0.8
123.11698	0.6
125.09603	1.3
136.07568	0.6
137.05972	0.7
139.11212	1.0
140.07069	32.7
141.07840	1.1
144.04445	19.1
145.05032	0.5
146.06015	8.3
148.07515	0.9
162.05519	7.1
165.05460	0.9
165.12694	0.8
172.03940	67.2
174.05481	3.4
175.03862	0.5
178.08556	0.8
183.13799	10.0
187.14407	1.6
190.04990	1.8
204.06566	100.0
205.07040	1.9
206.08134	17.4
207.08224	0.6
207.13802	1.2
274.94226	0.5
299.05533	1.1
300.12289	2.0
313.11639	2.5
327.09399	0.5
327.13400	1.3
331.12888	1.6
345.05942	1.1
345.10046	0.5
345.14401	3.1
345.18201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90258	1.5
51.92770	1.1
52.70393	1.1
55.01872	2.7
55.05494	1.2
60.04514	1.3
69.03423	2.7
69.07057	1.2
70.06576	6.1
71.04943	1.3
71.49853	2.1
72.08146	1.7
79.05482	3.6
79.60386	1.1
81.07049	3.1
84.08126	3.8
85.02877	1.3
85.06510	1.2
86.09708	3.2
91.05484	6.8
93.07031	1.9
94.04177	3.0
95.04967	1.7
96.99935	1.2
98.20614	1.2
103.05455	9.8
105.07040	7.3
107.04951	1.5
107.08569	1.5
109.06514	1.9
109.10113	1.2
117.06996	1.8
119.04961	2.7
121.06516	3.1
122.03654	8.2
123.04443	8.9
129.07013	1.4
131.04922	8.3
133.06520	15.8
135.08043	5.3
137.05983	100.0
140.04958	1.5
143.08507	1.4
144.26474	1.5
145.06500	2.8
147.04433	7.6
148.05212	1.6
149.05946	1.8
151.03912	3.2
151.07539	4.9
153.05359	2.0
161.05954	3.6
163.06323	2.1
163.07559	28.6
165.05443	5.4
165.06723	1.6
167.06047	2.3
169.22656	1.4
171.08150	1.6
171.49565	1.3
175.03906	11.0
176.04733	1.8
177.09091	2.2
179.06023	9.0
181.07631	2.3
182.08452	1.5
189.05470	1.4
191.07114	1.4
193.05023	6.1
193.07616	2.5
195.05527	20.7
205.04932	3.0
207.09946	1.3
208.06306	1.7
209.07069	3.1
209.29321	1.3
213.06583	9.8
221.07030	3.9
223.05086	4.8
225.08942	1.7
237.06470	1.9
237.08737	1.4
253.08540	4.8
265.06293	1.8
267.07639	1.5
269.08032	1.6
270.08893	1.9
284.10074	1.7
285.08694	57.6
285.11197	3.0
286.09113	1.8
295.09650	2.0
313.08173	84.6
314.08255	3.1
327.08514	9.0
327.12302	3.1
345.06033	1.9
345.10031	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	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03918	2.8
53.79250	1.6
55.01863	4.1
55.05498	4.7
58.89545	1.6
65.03944	7.8
67.05496	3.4
69.03416	2.3
69.07062	4.2
70.06591	5.3
71.19888	2.6
79.05478	3.1
81.03401	1.6
81.07047	5.6
83.04971	2.7
84.08154	3.1
85.02910	3.0
85.06510	3.3
86.09666	1.6
91.05479	7.1
93.03375	3.3
93.07014	3.3
95.04967	4.0
95.08600	5.6
96.02106	7.4
97.06524	1.7
105.07034	2.2
107.01331	2.0
107.08591	2.7
109.02878	4.9
109.10150	3.3
109.84956	1.7
111.04456	23.1
115.05473	2.5
115.52692	1.7
117.07046	2.3
119.04950	6.7
120.43106	1.5
121.06503	2.0
121.10146	3.6
123.03577	3.1
123.04432	44.2
127.03864	2.8
128.06180	1.7
129.07010	5.2
129.10274	1.8
131.04936	3.1
131.08488	1.8
135.04367	3.0
136.07599	1.9
137.02377	2.1
137.05972	6.7
139.03912	21.6
141.06976	2.8
143.74628	2.0
144.05664	2.1
145.06473	7.0
147.04399	21.7
147.08049	1.9
147.11658	1.9
151.03905	57.4
151.05147	3.1
152.06206	1.7
153.07001	5.4
157.06487	3.6
159.08035	6.0
160.08835	6.9
161.05981	8.3
161.09674	3.5
162.06786	2.1
163.03940	3.0
165.05501	14.4
165.07019	5.5
167.03377	6.6
167.08539	2.9
168.05708	6.1
169.06464	6.7
171.08043	4.7
173.05936	2.5
178.07777	3.5
179.08597	8.1
181.05048	2.5
181.06473	8.8
182.07269	6.0
183.08084	3.8
185.06015	6.6
185.09595	3.8
187.07594	7.1
188.03455	2.4
188.08354	8.4
189.09120	3.7
191.07074	3.4
193.04977	2.2
193.06792	2.1
193.08612	45.7
193.10306	3.9
195.08087	6.3
196.05232	5.0
196.08852	3.9
197.06003	4.5
198.06783	20.1
199.07542	4.6
200.08318	2.8
205.08614	2.1
206.07266	2.8
207.06367	2.2
207.08116	7.8
208.08810	4.1
209.05971	6.6
210.06822	4.9
211.07613	11.0
211.11182	4.8
212.08282	2.9
213.05452	10.2
213.09094	3.9
218.07271	1.9
219.08046	1.6
221.06090	2.7
221.09660	4.3
223.07610	8.0
223.09578	2.9
224.04634	3.2
224.08336	9.1
225.05469	5.5
225.09076	3.2
226.06271	9.2
227.07036	7.8
227.10667	2.3
228.07883	5.0
235.07590	4.6
236.08174	2.0
237.05605	2.1
237.09146	3.6
238.06213	4.2
238.09892	10.2
239.07043	24.6
239.10635	17.2
240.07771	11.5
241.04932	7.3
241.08609	17.7
243.06537	17.9
243.10214	2.2
249.09079	4.1
251.07022	3.1
252.07845	7.6
253.05026	2.7
253.08589	13.9
253.12288	4.4
254.05760	2.9
255.06561	4.9
256.07330	19.5
256.11008	3.7
257.07944	2.2
258.08640	2.0
265.08618	2.2
266.09222	2.3
267.06668	5.7
267.10147	33.5
268.07306	23.8
268.10608	3.7
269.08087	31.0
270.08783	3.7
271.09677	6.3
271.13263	7.4
277.08353	1.9
281.08075	6.5
281.11792	6.0
283.09555	3.0
284.06787	5.4
284.10400	8.4
285.07535	3.5
285.11087	6.3
286.08386	8.1
295.09601	14.7
296.10446	13.4
299.09210	100.0
299.12720	18.6
300.09476	2.0
303.08661	14.1
309.11075	2.0
312.09763	3.6
313.10648	24.6
317.13794	3.2
319.76239	1.9
327.12253	79.1
328.12787	3.4
345.13361	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	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03936	2.0
55.01864	4.7
55.05504	7.6
57.07067	3.0
65.03939	5.4
67.05508	14.0
69.03424	1.7
69.07083	10.0
70.06594	19.1
71.05000	1.6
71.06927	3.8
72.08148	1.5
73.02905	4.6
74.27930	1.8
79.01828	1.5
79.05492	8.3
81.03431	2.1
81.07055	27.1
82.22401	1.5
83.04958	2.5
83.08591	4.3
84.08142	5.5
85.02877	2.3
85.06535	7.1
86.09694	5.5
91.05476	7.1
93.03411	3.3
93.07038	10.1
95.04960	2.8
95.08605	21.0
96.02139	7.6
97.02925	1.8
97.06549	3.1
97.10154	2.2
98.26707	1.4
99.08102	6.3
103.05463	2.0
105.07020	7.1
107.01309	1.9
107.04938	5.6
107.08589	10.0
109.02859	1.6
109.10171	10.8
111.04439	24.4
112.07581	7.2
113.07921	2.3
115.05420	1.8
116.07094	1.8
117.07021	3.9
119.08576	2.8
121.02943	1.8
121.03931	1.5
121.06526	2.0
121.10142	6.8
123.04437	6.6
123.11705	6.6
128.06212	1.6
129.07033	4.9
129.10226	3.9
131.04913	6.7
133.10100	1.8
135.11690	4.7
137.05984	4.9
137.13264	1.9
139.03908	20.1
140.07101	3.6
141.07260	1.9
143.04929	2.1
144.05711	2.9
145.06487	6.2
147.04425	3.4
147.11684	1.9
149.13272	7.1
151.03955	4.1
153.05501	1.7
153.06990	3.4
154.07782	1.7
157.06467	3.6
159.08015	5.7
160.08849	6.1
161.05978	9.5
161.09645	2.6
161.13307	2.0
163.03815	2.2
163.14798	2.4
165.05603	1.9
165.06966	6.2
167.03386	6.1
167.08545	4.1
168.05736	4.8
169.06471	4.4
170.07233	2.2
171.08080	2.2
173.05956	2.2
175.07477	2.1
177.16310	2.3
178.07803	3.7
179.03380	1.7
179.08551	8.4
179.67766	1.8
180.09488	1.7
181.06474	9.7
182.07312	5.6
183.08086	4.5
185.05984	7.1
185.09631	2.2
187.07555	5.7
188.08292	9.3
189.06982	2.1
189.09045	3.8
191.03464	4.0
191.07033	3.2
192.03796	4.3
193.03940	4.6
193.06534	1.6
193.08568	1.9
193.10201	2.6
195.02917	1.6
195.08028	8.5
196.05244	5.8
196.08861	4.7
197.06082	7.4
197.09634	2.7
198.06760	21.1
199.07417	3.2
200.08286	1.9
206.07266	3.0
207.08064	8.0
207.09944	2.7
208.08751	2.3
209.06023	6.4
210.06743	6.6
210.10507	1.6
211.07565	12.6
211.11125	4.4
212.08261	2.5
213.05507	10.3
213.09135	4.4
213.21436	1.5
215.07045	1.9
219.08025	1.6
221.06178	1.6
221.09650	4.2
223.07593	7.6
224.04770	2.7
224.08307	6.8
225.05437	4.6
225.09079	5.1
226.06244	7.9
227.07016	7.3
227.10629	2.4
228.04309	1.7
228.07803	2.7
234.06720	3.7
235.07558	6.0
236.08284	3.1
237.05455	4.1
237.09132	4.3
238.06216	4.9
238.09937	10.1
239.07047	23.7
239.10608	14.9
240.07841	11.1
241.04893	5.7
241.08562	17.6
243.06583	12.6
243.10117	4.3
249.09198	5.5
251.07101	4.0
252.04185	2.2
252.07840	3.6
253.04970	2.8
253.08549	10.6
253.12207	5.4
254.05869	2.6
255.06502	5.5
255.10103	4.2
256.07318	16.9
256.10971	3.8
258.08670	1.9
264.08005	1.6
265.08597	2.9
266.05884	1.6
266.09250	4.0
267.06601	5.6
267.10168	36.2
268.07336	23.9
269.05225	2.8
269.08063	27.8
270.08951	1.9
271.09790	8.7
271.12878	7.1
281.08200	5.2
281.11740	5.3
283.09650	1.6
284.06760	4.4
284.10388	11.5
285.08087	1.7
285.11194	3.3
286.08450	8.2
295.09628	12.3
296.10437	11.9
299.09128	100.0
299.12732	19.8
300.09464	1.8
309.11340	2.4
309.27811	1.7
312.09903	3.7
313.10721	23.5
317.13785	2.8
327.12262	76.6
327.28961	6.4
345.08981	5.1
345.13208	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	345.0793
Annotation	Lepidimoide
Peak:m/z	Relative Intensity
53.14198	0.8
55.01870	1.0
56.05016	2.6
56.96533	1.0
57.03431	1.4
69.03415	1.3
70.06577	3.9
70.52480	1.1
70.52837	2.6
72.93751	1.0
81.03387	1.7
81.99420	0.9
84.08125	1.6
85.02897	2.6
91.05463	1.2
97.02773	1.0
98.20908	0.9
111.54925	0.9
127.03796	1.0
130.08624	1.0
132.04436	1.3
135.76747	0.8
136.07584	1.7
137.05949	1.5
138.05423	1.2
139.00044	7.0
145.03441	1.0
153.01692	1.3
153.05264	2.2
153.06543	1.2
162.99997	1.6
165.06982	1.7
166.05017	1.8
167.08528	4.0
168.04190	1.3
169.10048	1.0
170.91380	5.3
177.07005	1.1
178.07816	1.9
184.05939	5.0
188.92439	12.3
191.08578	3.7
195.07964	3.6
197.03925	1.2
211.05751	6.6
212.10570	1.2
212.92401	1.8
214.08118	1.5
219.08023	3.8
221.09651	2.2
223.07513	2.6
225.09106	2.3
226.94124	1.2
228.95619	2.2
229.06841	23.1
230.93559	2.9
236.10704	5.1
236.92509	1.3
238.12262	3.6
240.10326	4.4
251.07091	1.0
253.13376	3.1
254.11763	1.9
254.93388	1.7
256.95132	1.3
264.10211	1.3
265.08603	3.2
269.08041	1.5
270.06393	1.0
272.94391	1.1
281.07645	1.5
282.11267	10.9
299.13852	6.7
300.12265	1.6
301.08032	1.6
309.05545	1.0
316.46268	1.0
327.06833	30.6
327.12442	1.6
328.11890	8.7
345.07907	100.0
345.13242	2.9
345.13956	2.7
346.07584	1.3
346.11060	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	344.2544
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
55.05510	4.4
56.05037	0.9
57.03926	0.5
58.24709	0.5
58.94127	0.5
60.04531	1.0
61.15367	0.5
62.94473	0.5
67.05531	0.6
69.03458	0.5
69.07067	5.4
70.06590	6.4
70.12180	1.8
71.05017	0.7
71.06934	1.0
72.08155	52.2
79.05457	0.7
81.07060	1.2
81.66211	0.5
84.04494	0.8
84.08128	2.0
86.09706	100.0
91.05488	1.3
93.07075	0.5
95.08595	1.2
102.05570	0.7
107.04959	0.9
109.10178	0.8
116.07125	0.7
119.04951	0.8
119.08636	0.8
120.08118	1.3
121.10143	0.7
122.02757	2.2
127.03866	0.6
129.10266	0.7
130.03696	0.6
130.06465	0.7
132.10236	1.2
135.11726	0.9
137.09660	1.5
147.04416	1.4
149.06013	1.4
151.07547	0.9
165.05539	1.0
165.09158	1.8
177.12756	0.7
185.16499	47.8
193.05045	0.6
199.18056	3.9
205.12291	1.9
213.16003	13.9
223.13385	0.6
227.17604	1.4
245.18585	3.4
298.08066	0.6
326.07382	0.6
326.14609	0.6
326.41602	0.6
327.13464	0.6
344.08542	1.1
344.19724	0.9
344.24292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.33621	0.7
61.02930	1.2
65.11419	0.6
69.03435	3.3
69.34467	2.2
69.34864	2.9
81.03408	1.2
85.02911	16.3
91.05480	5.0
95.86787	0.7
97.02879	4.3
99.07772	0.7
109.02073	0.7
109.02854	1.8
119.04950	18.8
123.04416	1.8
127.03927	3.0
145.04945	3.2
145.33122	0.6
147.04420	100.0
165.05489	45.5
165.06917	1.7
180.08704	1.3
268.41599	0.7
276.96173	0.8
344.90195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.1
55.96959	0.7
56.05026	1.0
56.05854	0.9
60.04525	1.3
61.49337	0.6
66.47440	0.7
67.05506	1.0
69.07073	1.7
69.62480	4.7
70.06602	6.9
72.08158	67.3
77.17535	0.7
81.07036	1.4
83.08671	1.3
84.04509	2.6
84.08149	1.2
86.09710	100.0
91.05494	1.1
98.20825	0.8
100.11259	9.3
101.11018	1.1
101.11575	5.1
103.05499	2.8
105.07020	1.0
107.04968	2.0
107.08594	1.2
120.08083	0.8
122.02741	0.7
123.04451	2.1
130.05031	0.9
131.04933	6.6
132.10225	3.0
135.04388	1.7
137.05984	4.0
140.07021	1.1
146.52098	0.7
147.04430	3.4
148.04797	0.8
148.06071	1.3
149.05995	1.0
151.03946	1.0
151.07463	0.8
159.04486	1.5
161.06055	1.2
162.06363	1.1
162.92426	0.8
163.07581	2.0
169.13286	1.1
173.26863	0.6
175.07465	1.0
177.05559	1.3
182.84256	0.8
184.51285	0.9
185.16505	58.1
191.03436	2.9
192.03741	4.7
199.18184	0.8
208.08289	0.8
210.16847	1.5
213.15991	24.9
231.17041	6.1
237.09096	0.8
245.40671	0.8
256.06894	0.9
266.09067	1.4
267.10266	0.9
280.10355	0.8
284.06381	1.1
285.11017	1.0
298.07996	5.3
298.11670	2.2
298.14804	1.1
312.13281	1.0
326.07529	1.5
326.14822	2.1
327.12320	2.4
344.08661	7.6
344.15555	3.4
344.24817	0.9
344.31009	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
57.03437	1.6
61.02927	1.5
69.03442	3.3
69.17039	6.9
69.17375	0.9
73.02938	0.8
81.03424	1.2
85.02914	16.4
91.05486	5.7
97.02888	3.3
98.20801	1.4
109.02908	1.5
119.04949	19.4
123.04437	2.0
127.03919	2.3
145.04970	3.2
147.04420	100.0
165.05486	52.6
180.08694	1.5
182.08151	0.9
213.96947	0.6
246.93900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.6
57.07066	5.5
57.07347	2.3
64.94225	1.7
67.05506	23.5
69.07072	15.6
71.04980	2.4
71.08620	3.5
71.23203	2.8
71.23520	2.9
79.05499	13.6
81.07059	90.3
83.08604	6.3
85.06549	2.6
88.19036	2.1
91.05481	8.9
93.07047	34.3
95.08610	100.0
97.10158	3.3
99.08061	2.6
105.07015	20.6
107.08588	41.1
109.10155	47.2
109.10852	4.2
111.08067	2.5
111.11678	3.0
119.08594	27.0
121.10139	35.0
123.11729	33.5
131.08563	10.6
133.10155	21.3
135.08075	4.7
135.11688	32.6
137.13254	28.2
138.99962	2.1
139.11067	2.2
145.10118	16.0
147.11702	23.2
149.13252	15.7
151.11147	2.4
159.11697	14.4
161.13264	21.5
163.14822	23.9
165.12769	4.8
171.11736	3.8
173.13257	11.6
175.14839	9.8
177.16479	8.1
179.14360	3.3
185.13268	2.4
186.59410	2.3
187.14792	15.8
189.16383	24.9
191.14333	9.4
191.17929	3.5
199.14769	2.8
201.16359	10.2
203.17960	8.0
205.15895	5.4
206.16600	3.4
207.17442	20.6
215.16005	2.8
215.17923	15.7
217.19522	6.0
219.17416	2.8
229.19522	4.6
231.21230	3.6
233.19081	3.9
240.23282	11.3
241.19627	3.6
255.21127	5.6
269.22690	3.2
299.27457	3.0
325.28882	34.1
343.29968	90.1
344.30142	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	344.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.0
58.36382	0.5
58.51711	0.5
59.35278	0.6
68.05025	0.8
69.03415	1.7
70.06586	1.9
71.47586	0.7
80.05025	0.5
82.06567	0.8
83.06087	1.7
84.04498	0.8
84.08152	1.4
85.02897	2.1
94.06565	1.2
95.06098	1.4
97.02880	1.3
98.97610	1.6
107.06063	1.3
112.02199	3.4
116.01698	0.7
119.04952	0.9
123.04454	1.6
126.03716	1.1
130.08641	0.7
136.07588	3.8
137.07095	1.6
138.05522	1.3
141.06578	0.9
147.04399	0.7
150.05487	1.0
151.03224	2.7
153.06596	10.8
164.06996	0.7
165.05421	1.1
165.06621	6.8
167.08215	1.0
169.04320	0.9
173.20422	0.6
179.06442	1.5
179.08205	0.8
181.05960	0.7
182.08133	2.4
183.07680	0.7
191.08185	2.3
192.08852	0.9
197.03806	18.5
197.39824	0.6
198.05803	0.6
209.03670	1.0
211.96014	0.6
211.97942	0.6
215.04828	1.7
222.94336	0.6
223.05371	1.9
225.06915	13.1
241.06441	11.5
269.05917	12.9
280.07516	9.1
287.07092	0.6
298.08542	2.4
299.29364	0.5
326.08060	26.6
344.09113	100.0
345.09222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.05509	21.9
57.03448	10.2
57.07081	11.7
64.25096	2.9
67.05509	33.9
69.07069	29.6
71.50779	4.3
79.05502	22.5
81.07062	80.7
83.08627	22.0
85.10223	3.5
91.05492	17.8
93.07040	55.7
93.07556	4.1
95.08612	94.9
97.06539	10.5
97.10180	8.0
105.07043	35.3
107.08607	58.8
109.06525	3.4
109.10160	69.8
111.08093	63.2
113.09644	7.8
117.07027	5.7
119.08584	48.2
120.11176	3.7
121.10143	60.3
123.08074	83.2
123.11713	34.1
125.09644	4.9
131.08604	8.9
133.10130	38.9
135.11702	56.7
137.09595	17.2
137.13261	20.3
145.10164	17.6
147.11688	49.6
149.13268	26.6
150.38847	3.4
151.07632	3.7
151.11227	10.4
151.14906	3.4
157.10170	8.4
159.11668	15.4
161.13258	31.1
163.14833	22.0
165.12857	11.1
165.16458	3.9
165.52931	3.0
171.11641	4.2
173.13289	15.1
175.14864	13.2
177.16420	12.9
179.14384	8.1
179.18062	4.4
187.14804	16.0
189.16415	19.0
191.14310	3.6
191.18005	4.9
199.14937	4.4
201.16452	11.3
203.17992	13.2
205.15898	6.3
211.81314	3.8
215.17996	12.0
227.17979	3.2
229.19649	7.3
233.18929	3.9
240.23335	12.0
243.21039	6.5
255.21172	5.8
271.24368	7.7
284.26813	3.4
325.28925	45.2
343.29968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
55.05511	19.5
57.07080	11.4
67.05508	31.4
69.07071	37.5
69.34918	6.3
69.35344	12.8
71.04958	6.7
71.08598	4.3
79.05506	19.1
81.07056	85.0
83.08614	13.1
85.06550	20.2
91.05480	17.3
93.07046	44.8
95.04972	2.2
95.08610	100.0
95.13766	2.3
97.06483	3.3
97.10139	6.6
105.07044	27.3
107.08594	47.6
109.06469	7.3
109.10159	55.4
111.08066	3.9
111.11668	6.7
113.09587	7.6
113.97127	2.4
117.06982	4.9
119.08578	67.9
121.10169	41.9
123.11710	43.5
125.09580	2.7
129.12666	2.8
130.07729	2.7
131.08510	8.7
133.10149	30.6
135.11694	32.4
137.09589	6.3
137.13257	30.5
139.11087	4.8
143.08508	5.2
145.10135	19.6
147.11687	22.0
149.13275	23.9
151.11130	4.0
151.14766	4.8
157.10089	6.5
159.11710	22.5
161.13219	18.5
163.14816	20.0
165.12704	3.8
167.14214	2.7
171.11671	4.9
173.12036	2.1
173.13283	18.5
175.14803	14.0
177.16316	7.3
179.14285	3.4
185.13184	2.6
187.14847	15.7
189.16335	13.4
191.14201	5.4
191.17856	10.5
193.15836	2.9
199.14780	2.5
201.16396	15.8
203.17877	10.2
205.15787	7.9
205.19504	3.1
207.17386	7.5
213.16464	3.6
215.17952	15.5
217.19469	6.5
219.17387	3.2
227.17813	3.9
229.19409	10.7
240.23111	6.6
241.19380	4.4
243.21022	2.5
255.20993	4.2
259.20560	4.0
269.22510	4.6
283.24231	2.8
285.25604	3.3
299.27332	2.5
325.28894	38.6
332.44229	2.5
343.08035	2.7
343.22614	3.1
343.26694	3.8
343.29813	79.2
343.37634	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	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	19.2
57.07061	8.0
67.05502	19.2
69.07069	42.5
71.04988	10.6
71.08621	1.8
74.64567	1.5
79.05508	10.0
81.07055	36.9
83.08620	19.5
85.06551	20.5
91.05471	12.2
93.07037	21.9
94.47583	2.0
95.04976	2.5
95.08607	42.1
97.06509	4.5
97.10167	6.1
99.08105	6.3
105.07024	16.0
107.08598	29.5
109.10159	27.8
111.08105	2.6
111.11730	13.4
113.09650	6.8
117.07007	3.3
119.04845	1.7
119.08586	100.0
120.08858	1.7
121.10140	27.1
123.11717	19.6
124.51124	1.7
129.12813	4.2
131.08598	8.8
133.10143	17.5
135.11678	14.3
137.09575	10.9
137.13269	7.8
139.11177	5.2
143.08557	2.7
145.10143	20.3
147.11685	12.8
149.13257	8.9
153.12704	3.1
157.01323	3.8
157.10138	5.5
159.11668	17.6
161.13278	12.4
163.14819	7.9
165.12717	2.6
173.13293	13.1
175.14848	6.9
177.16380	5.0
179.14278	3.9
185.13286	2.5
187.14804	6.8
189.16411	5.6
191.14232	3.1
191.17865	2.5
199.14847	4.1
201.16373	5.2
205.15851	5.4
213.16368	2.7
215.17915	9.1
219.17615	2.7
227.17941	2.2
229.19530	11.1
229.23248	1.8
233.18985	2.3
243.21066	4.3
247.20590	6.1
255.21091	4.1
257.22504	2.8
259.20526	3.7
273.22113	3.8
287.23590	3.0
315.34784	2.0
322.13538	1.9
325.28845	6.8
343.29962	55.4
343.37332	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	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05511	14.1
56.90797	1.6
57.07065	6.7
64.54842	1.6
65.03931	2.9
67.05508	23.8
69.07067	18.8
69.07664	2.0
76.42008	1.8
79.05496	17.8
81.06600	4.2
81.07061	65.4
83.08596	7.6
85.06529	3.0
91.05483	15.5
93.07045	41.3
95.08611	100.0
97.06515	7.5
97.10161	5.7
99.08081	2.1
103.95720	1.8
105.07031	28.7
107.08596	58.2
109.10160	74.9
111.08083	2.0
111.11665	3.1
113.09644	2.6
117.07028	4.5
119.08585	31.9
121.10143	40.1
123.08121	1.9
123.11710	24.4
125.09628	6.3
131.08574	6.9
133.07922	1.9
133.10144	23.4
135.11691	29.3
137.13246	15.7
139.11177	3.0
144.41833	1.8
145.10147	12.6
147.11694	19.9
149.09654	2.1
149.13261	15.7
151.07446	2.0
151.11203	6.3
153.12704	4.1
159.11687	16.3
161.05960	2.0
161.13277	15.5
163.11197	1.9
163.14838	19.4
165.12769	2.4
171.11707	2.7
173.13287	9.3
175.14810	13.0
177.12672	2.5
177.16394	10.7
179.14320	3.1
181.81212	1.9
187.14786	8.6
189.16370	22.6
191.14369	3.6
191.17960	38.6
193.15878	2.4
193.94095	1.8
199.14825	2.3
201.16374	7.2
203.17970	21.8
205.15930	3.2
205.19514	3.9
207.17458	6.0
213.16531	2.7
215.17940	5.3
217.19511	19.0
219.17400	3.6
221.15305	2.4
227.17857	2.1
229.19525	4.8
231.21190	2.5
233.19052	3.3
240.23177	4.0
241.19547	2.8
243.21036	5.3
247.20471	2.7
255.20967	2.1
269.22745	2.6
273.22098	3.7
286.07187	1.9
299.27386	8.8
325.28964	16.5
343.23068	4.2
343.26678	3.4
343.29944	89.0
344.30426	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	24.3
57.03419	4.8
57.07061	11.0
67.05508	45.4
69.03432	6.7
69.07078	32.5
69.94257	9.3
69.94652	6.5
70.06564	6.5
71.04981	4.1
79.05489	21.4
81.06596	6.0
81.07058	100.0
83.08616	20.3
85.06548	23.8
86.09691	4.3
91.05467	13.0
92.99142	3.3
93.07060	20.5
95.04957	6.5
95.08607	96.2
97.06529	5.1
97.10163	22.6
99.08113	21.7
99.55240	3.4
105.07032	11.8
107.08629	16.4
109.10163	54.7
111.08093	5.0
111.11732	8.1
119.08573	8.8
121.10120	15.5
121.10902	4.0
123.04416	4.5
123.11709	32.5
125.09644	5.9
129.43246	3.8
131.08540	6.1
133.10075	6.8
135.11690	12.3
137.06007	7.6
137.13251	8.1
139.11205	4.2
147.11694	7.8
149.13249	11.3
151.11133	6.2
151.14891	5.2
161.06041	6.2
161.13240	6.3
163.11153	4.2
163.14752	4.6
165.16335	5.3
175.07567	5.0
175.14896	6.7
179.14322	5.7
181.04913	4.7
207.17418	3.9
279.26965	4.3
282.08951	5.0
283.09573	3.5
289.25269	8.2
297.11221	8.0
307.26376	24.9
311.12662	4.0
325.14136	5.0
325.24075	4.2
325.27432	31.7
330.02023	3.3
343.07980	4.3
343.11771	8.4
343.15524	8.1
343.19327	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
53.38379	1.4
55.05512	22.0
57.03421	2.0
57.07076	7.1
63.36692	1.4
65.03926	2.0
67.05505	44.5
69.03407	2.1
69.07067	37.2
69.93784	6.5
70.06578	4.0
71.04977	2.3
71.08619	3.1
79.05496	14.9
81.03432	1.8
81.07056	100.0
82.07393	1.5
82.64433	1.5
83.08619	19.0
85.02914	2.2
85.06546	22.9
91.05490	9.4
93.07043	20.1
95.04964	4.4
95.08609	91.6
97.06535	5.6
97.10185	15.3
99.08097	23.0
105.07023	8.4
107.08604	19.7
108.12127	1.5
109.06512	2.9
109.10156	51.4
110.63625	1.5
111.08070	4.3
111.11712	10.5
119.04997	1.8
119.08562	7.0
121.10181	10.5
123.11704	25.9
125.09666	3.0
125.13264	3.6
129.64752	1.4
131.08620	1.8
133.02820	2.6
133.10149	6.1
135.11688	14.6
137.05986	3.3
137.09584	1.8
137.13213	10.0
139.11172	4.6
141.09134	1.5
147.04424	2.2
147.11705	4.1
149.06003	2.0
149.13260	8.5
151.11177	3.4
151.14813	7.5
153.12775	3.8
154.25851	1.4
159.11676	3.1
161.05994	4.2
161.09616	1.6
161.13266	4.7
163.11208	3.8
163.14832	5.2
165.12834	3.5
165.16420	1.9
166.07751	1.6
167.14221	1.8
175.14795	5.3
177.16319	3.7
179.14278	5.4
179.53497	1.6
189.09073	2.0
189.16449	1.9
191.03371	2.8
191.17981	3.2
193.15936	2.8
195.13921	1.7
201.16338	3.7
203.17957	2.0
207.17450	3.1
219.17458	2.5
233.18848	1.8
237.18431	3.1
251.20082	2.1
253.19402	1.8
259.24155	3.2
261.25845	3.0
265.08682	2.0
277.25250	4.6
279.26978	2.9
283.09583	2.3
289.25238	4.6
295.26251	2.5
297.07550	1.8
297.11044	3.6
307.26324	26.6
311.12491	2.2
325.27338	29.3
343.08081	2.5
343.11575	7.2
343.15311	3.4
343.19394	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	343.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01872	4.8
55.05510	25.3
57.03419	3.8
57.07066	4.9
59.44756	2.7
64.75303	2.4
67.05505	33.5
69.03429	6.6
69.07070	23.0
70.06574	12.1
71.05006	6.0
71.49458	4.1
72.08172	3.4
79.01986	2.9
79.05498	28.8
81.03423	4.6
81.07060	66.6
82.54678	2.8
83.04980	21.7
83.08598	13.3
84.08128	3.6
85.02912	5.6
85.06537	8.7
86.09703	3.9
87.04445	8.7
91.05477	25.8
93.07043	49.3
95.04965	11.9
95.08611	67.3
97.06528	10.9
97.10169	9.6
99.04436	4.3
99.08087	7.3
101.06058	2.8
103.05492	3.0
105.07041	38.0
107.04955	9.5
107.08593	49.3
109.06522	11.7
109.10165	39.1
111.08063	9.2
111.11703	4.0
117.07017	7.9
119.04929	8.4
119.08611	22.6
119.35079	2.7
120.18387	2.9
121.06470	6.4
121.10155	45.6
123.04416	20.6
123.08069	6.5
123.11696	14.7
125.09611	10.4
129.06927	5.2
131.04883	3.5
131.08559	11.1
133.02852	2.8
133.10121	19.2
135.04427	15.3
135.08049	4.0
135.11688	16.1
137.05959	12.9
137.09641	5.7
139.03928	3.9
143.08583	4.9
145.10127	19.5
147.04404	16.2
147.11699	20.4
149.05997	5.9
149.09523	5.3
149.13258	12.5
151.03902	4.4
151.11208	6.1
157.06479	3.0
157.10080	4.2
159.11671	10.6
161.05981	11.7
161.13255	10.6
163.03894	14.9
163.07547	4.5
163.11247	7.1
163.14853	5.7
165.05457	8.1
165.06888	4.1
165.12737	6.3
167.07060	2.8
167.10745	4.5
171.11705	4.4
173.09584	2.9
173.13225	14.4
175.07539	6.9
175.14818	4.5
181.04970	7.9
181.06685	2.7
181.08582	6.6
181.12245	5.6
183.11613	4.0
187.14870	3.6
188.06892	5.5
189.09091	5.9
191.03395	100.0
191.05112	5.9
191.06966	4.4
191.17943	3.6
194.07251	3.2
196.09464	8.7
197.13202	4.8
201.05424	4.5
201.16400	5.5
203.03430	4.8
215.17952	4.9
221.04378	3.2
229.19409	4.2
235.07478	3.8
243.21074	3.3
259.20605	4.8
264.60257	3.5
265.08597	5.1
265.12512	3.3
267.09961	3.1
269.08188	3.9
271.20587	9.6
277.21585	24.7
281.08328	3.2
282.08942	6.9
283.09485	4.2
284.10291	5.7
289.21667	23.0
293.11676	10.0
295.22925	4.6
297.07986	3.6
297.11301	14.7
297.14828	6.8
299.68054	3.2
307.22821	42.2
307.26123	3.9
311.09290	4.0
311.12604	6.6
325.06909	5.1
325.10648	5.1
325.14337	11.2
325.27457	4.9
343.08707	20.3
343.11862	15.4
343.15860	40.1
368.01797	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03955	5.0
55.01869	7.6
55.05515	22.2
57.03425	11.2
57.07071	14.1
59.04985	6.1
60.04522	3.2
65.03936	2.8
67.05514	29.2
67.17934	2.3
69.03426	11.1
69.07063	7.7
71.04998	16.8
79.05502	23.8
81.03407	4.5
81.07067	33.1
83.04962	8.4
85.06533	7.3
91.05482	45.1
93.07051	77.9
95.04972	70.1
95.08613	100.0
97.06546	17.5
103.05459	5.9
105.07039	96.8
107.04919	3.3
107.08598	65.9
109.06515	18.9
109.10166	8.1
111.08060	2.8
115.05473	8.9
116.06197	3.5
117.07015	35.5
119.08586	36.1
121.06520	17.0
121.10152	21.2
122.07283	5.5
123.08064	31.7
123.11676	2.7
128.06245	5.5
129.06981	9.7
130.07777	16.0
131.08582	11.1
133.06496	4.7
133.10150	17.3
135.08058	35.7
135.11693	17.7
137.06023	3.4
137.09625	6.2
143.08572	13.3
145.10136	96.5
147.08081	11.5
147.11722	9.2
149.09616	7.1
151.07555	51.9
153.09116	5.9
155.08533	3.4
156.09309	3.9
157.10130	11.6
159.08080	3.8
159.11720	9.3
161.09621	10.8
161.13229	4.8
163.11188	82.8
163.12566	4.6
165.09117	21.1
167.08548	5.0
169.10153	8.1
171.11758	6.3
173.09625	6.7
173.13353	4.6
175.11243	4.0
175.14848	2.8
177.09105	8.2
179.07130	4.7
181.10139	3.1
181.12271	3.4
183.11703	4.4
185.09734	3.3
185.13171	4.7
187.11140	3.6
189.09131	3.2
189.12761	10.7
191.14339	5.1
195.11725	3.8
197.13307	6.2
199.14835	2.8
201.12801	3.3
203.14346	12.0
204.11081	2.9
207.10106	3.1
207.11938	3.2
207.13826	7.4
209.13380	3.3
209.15317	4.5
215.14247	3.8
217.12369	2.7
221.15408	30.4
221.17430	4.4
227.14305	3.3
233.15388	3.3
240.23268	2.8
241.15817	5.4
263.16415	11.5
268.50574	2.4
269.15460	6.4
274.19427	3.5
286.19345	4.1
307.20468	3.8
325.21832	13.4
343.22705	90.8
344.23013	4.3
359.28809	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03954	5.9
55.01852	7.4
55.05514	19.4
57.03423	11.0
57.07066	11.7
59.04988	7.0
65.03934	3.0
65.38888	2.7
67.05511	33.2
69.03419	11.0
69.07062	10.1
69.25591	23.2
71.05001	22.5
71.06476	2.7
71.08622	2.4
73.30045	2.7
75.97517	2.6
79.05151	2.8
79.05504	32.0
81.03401	6.4
81.07059	36.0
83.04971	7.4
85.06546	4.1
91.05479	39.4
93.07046	89.7
95.04973	63.8
95.08614	100.0
97.06521	17.3
103.05473	5.9
105.07036	98.9
107.04960	4.6
107.08601	58.9
109.06528	17.9
109.10155	7.5
115.05443	8.0
117.07028	39.3
119.08588	40.8
121.06527	15.7
121.10157	23.7
123.08067	31.1
125.06027	3.2
128.06168	7.3
129.06982	6.9
130.07770	20.1
130.29398	2.7
131.08556	10.9
133.06505	7.6
133.10158	21.4
134.19383	2.9
135.08060	32.7
135.11685	19.4
137.09615	8.1
142.07751	3.5
143.08559	18.7
145.06511	2.9
145.10124	93.7
147.08041	17.5
147.11639	6.7
149.09570	6.7
149.46918	2.6
151.07556	54.6
153.09052	3.9
155.08510	3.1
156.09332	2.9
157.10141	8.9
159.08101	5.5
159.11717	15.6
159.12888	2.8
160.97264	5.4
161.09595	9.3
161.13274	7.5
163.11183	76.4
165.09109	25.2
167.08470	2.5
169.10106	4.0
171.11700	8.2
173.09575	5.4
173.13269	4.4
175.11182	9.6
177.09096	5.1
179.07040	5.6
181.12187	2.4
182.10939	3.7
183.11656	4.2
185.13179	3.1
187.11168	6.5
189.12753	14.7
191.10686	3.2
191.14340	4.3
197.13272	4.0
203.14334	11.8
207.10207	5.2
207.13808	9.2
209.15274	5.3
213.12802	2.8
213.16405	4.0
221.15340	30.2
223.14809	3.3
240.23042	4.0
247.16962	3.3
251.14442	3.4
263.16452	10.5
269.15506	5.5
286.19196	7.2
287.19855	4.6
295.39224	2.8
307.20914	2.6
325.21597	11.1
343.08130	5.6
343.22690	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	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
54.49449	1.8
55.01871	2.1
55.05507	7.4
57.03432	2.8
57.07066	5.0
59.04993	3.1
64.70857	1.7
67.05503	15.0
69.03426	3.9
69.07060	3.2
71.04981	9.0
79.05486	8.7
79.55621	1.5
81.07056	16.3
81.30903	1.7
83.04974	4.6
83.08630	1.7
85.06528	2.1
91.05487	17.6
93.07047	31.5
95.04977	19.1
95.08608	41.8
95.09187	3.2
97.06536	5.8
105.07027	35.8
107.04935	1.8
107.08600	22.9
109.06532	7.7
109.10164	7.4
111.08101	2.1
115.05457	2.5
117.07028	13.4
119.08595	14.9
121.06496	5.7
121.10156	8.9
123.08089	22.0
123.11729	1.7
128.06291	1.9
129.06963	3.2
130.07779	5.6
130.70508	1.6
131.08545	5.7
133.10126	7.1
135.08046	11.1
135.11716	6.3
137.09637	3.7
142.07828	2.0
143.08569	5.6
145.06561	1.8
145.10123	33.2
147.08070	6.1
147.11716	5.1
149.09601	2.7
151.07549	100.0
154.71121	2.1
157.10139	3.5
159.08031	3.5
159.11703	4.1
161.05960	2.0
161.09653	4.6
161.13281	5.4
163.07616	2.6
163.11177	27.9
165.09129	7.0
169.10210	2.1
173.09633	4.7
173.13239	2.8
175.07622	2.2
175.11151	2.8
177.09122	9.7
179.06963	2.6
181.10123	2.0
185.13254	2.5
187.14896	3.8
189.09149	3.5
189.12767	4.8
191.10670	37.7
203.10645	3.9
203.14394	4.9
205.12175	3.9
207.13757	2.0
217.12236	2.4
219.09311	1.7
221.13516	2.4
221.15317	10.4
240.23276	4.7
243.13797	2.0
263.16379	3.2
269.15326	2.7
285.18387	2.2
286.19208	3.0
297.07642	1.7
307.20544	2.7
325.21603	5.9
343.07944	1.7
343.22678	34.0
343.26437	3.2
343.29752	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	343.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03924	0.8
54.17533	0.2
55.01669	0.2
55.01872	1.8
55.05510	1.2
57.03417	0.7
57.07059	0.2
57.18221	0.2
60.04538	0.2
65.03925	0.6
67.05144	0.2
67.05503	4.4
68.99786	1.9
69.03413	0.8
69.07067	1.7
70.02952	12.1
70.06574	0.6
71.04975	0.6
71.50065	0.2
72.43715	0.2
74.02438	5.6
77.03912	0.5
79.05489	5.5
81.03423	0.4
81.07055	10.6
83.04958	0.8
83.08597	0.9
84.04476	0.2
84.08108	0.5
84.82170	0.2
85.02880	0.4
85.06527	1.0
86.09689	0.3
87.05590	19.0
88.03989	15.3
89.03922	0.5
91.05479	6.6
93.03391	1.0
93.07036	2.6
95.01305	0.5
95.04968	2.8
95.08598	3.4
97.06518	0.9
97.10168	0.2
98.02400	0.5
99.00822	0.5
99.08104	0.3
100.11211	0.3
103.05488	0.5
105.03394	0.4
105.04529	0.3
105.07027	5.9
107.04955	5.6
107.08597	2.5
108.72075	0.2
109.02854	0.4
109.06502	0.7
109.10151	1.2
111.08067	0.4
115.04958	0.3
115.05563	0.2
116.03445	2.5
117.03368	0.6
117.06968	0.3
119.04937	6.9
119.07809	0.3
119.08588	3.6
120.08117	0.3
121.02878	0.6
121.06467	0.6
121.10133	3.0
123.04427	21.7
123.08067	0.6
123.10947	0.3
123.11712	3.4
125.06000	0.4
127.07555	0.5
129.07014	0.2
131.04930	2.0
131.08502	0.4
133.06088	22.5
133.10110	0.7
135.04411	12.5
135.11662	0.6
137.02371	1.5
137.05983	1.4
137.09557	0.3
137.13239	0.4
143.04906	0.3
145.02870	1.8
145.10097	0.4
147.04407	17.3
147.11682	10.4
149.05960	1.1
149.13295	0.3
151.07481	0.2
153.05443	0.6
159.04420	0.7
161.05971	1.4
163.03900	14.4
163.11150	0.5
165.01836	0.3
165.04169	0.4
165.05490	5.1
165.06892	0.3
165.12752	7.4
167.07092	0.2
170.02762	0.2
173.13292	0.3
175.03908	1.7
175.07559	0.4
175.11113	0.4
177.05489	0.5
179.03378	4.7
181.04919	0.5
181.08549	0.3
182.15431	0.3
183.13788	0.4
187.03882	1.6
189.05478	0.3
190.15898	2.7
191.03387	100.0
192.03839	2.4
192.13843	0.8
193.12181	0.6
203.03384	5.7
205.04959	3.5
215.03506	0.5
219.02917	0.5
221.04445	6.5
229.14363	1.3
233.04445	3.0
234.14957	1.5
252.16010	0.9
262.14340	1.9
265.08694	0.4
279.03461	0.2
279.06500	0.2
279.17026	6.7
280.15433	10.4
283.09668	0.2
297.07620	0.7
297.11044	0.5
304.02722	0.2
307.05960	0.5
307.16568	1.1
308.14972	1.8
311.12680	0.7
315.05530	0.2
325.07153	1.4
325.10648	0.3
325.17648	0.3
326.16061	0.7
343.08121	24.4
343.11429	1.0
344.08456	0.7
344.15933	0.2
357.54788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17649	1.1
54.38286	1.3
55.01856	2.7
55.05498	3.5
57.03421	5.0
57.07081	2.0
61.02918	4.9
65.00618	1.0
65.03939	1.1
67.05504	2.5
69.03426	16.1
70.06586	4.5
71.04991	2.8
71.39594	2.5
72.08141	1.6
73.02898	3.1
79.05480	5.4
79.51917	1.0
81.03408	5.0
81.07063	8.8
83.04975	4.5
84.08147	2.4
85.02907	34.7
86.09695	3.7
87.04441	2.9
91.03893	1.3
91.05482	6.7
93.07043	11.2
95.04974	18.4
95.08589	1.5
95.82683	1.0
97.02888	10.4
97.06523	3.5
99.04455	1.5
105.07024	7.6
107.04936	5.7
107.08582	10.7
109.02864	4.8
109.06512	3.5
109.07395	1.2
116.01660	2.4
117.06998	2.9
119.08574	4.4
120.08019	1.2
121.02934	1.8
121.06507	4.7
121.10152	11.5
123.04420	4.2
125.05991	10.7
127.03916	8.4
129.10249	2.0
130.07764	3.2
133.10136	1.3
135.08131	1.6
135.11678	7.4
137.05981	1.8
142.03177	2.5
143.08511	1.4
145.04958	9.6
145.10112	17.7
147.04436	1.3
147.08026	1.4
149.05951	1.4
161.09596	2.0
162.02209	2.1
163.03937	1.5
163.11180	100.0
170.02686	1.5
175.11249	1.6
181.12230	19.5
183.10150	1.5
183.36099	1.1
191.03351	3.7
191.06999	2.8
203.03278	1.3
223.13254	2.2
229.10538	1.4
241.05000	2.9
269.04434	2.1
315.04977	13.5
343.04501	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	343.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58878	1.3
56.96560	4.9
63.97586	1.6
70.81577	2.1
70.81929	3.3
71.41143	1.4
87.14414	1.6
98.21657	1.5
98.97590	34.5
106.76482	1.5
116.98605	10.6
119.01920	2.4
134.99628	2.6
158.99945	1.7
174.97635	3.2
176.97461	2.7
177.00957	6.6
192.98746	2.5
198.97748	4.7
216.95399	4.7
216.98811	16.0
217.98724	2.5
218.98595	8.5
219.01999	11.6
222.97942	2.0
226.24405	1.5
234.96439	5.4
234.99821	16.9
235.99913	2.8
236.99463	9.7
240.98907	20.6
243.02129	2.0
258.96588	7.1
258.99973	32.9
260.00018	3.0
261.00449	2.9
261.03098	16.9
264.98947	4.5
273.98895	2.4
276.97528	10.2
277.00974	17.1
282.99988	100.0
284.00204	7.9
300.97586	28.5
301.01047	93.5
302.01184	6.7
318.98654	27.8
319.02161	3.6
325.01013	18.6
342.98499	6.2
343.02109	65.6
344.02112	3.4
360.99307	16.8
361.03265	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0811
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
51.49117	0.3
53.03941	0.5
53.66594	0.3
55.01865	1.0
55.05511	16.2
56.05841	1.2
56.62507	0.4
65.03915	0.4
65.94479	0.4
67.05501	1.0
68.99783	0.7
69.07038	0.4
70.06590	2.0
71.04977	0.5
71.58654	0.4
72.08140	0.4
79.05487	2.5
81.03439	0.6
81.07050	1.8
82.06581	1.2
83.04984	0.7
83.06912	0.3
83.08619	10.3
84.08147	0.8
84.08940	0.9
86.09688	0.6
91.05476	2.4
93.07055	0.7
95.04952	1.7
95.08606	0.9
97.06528	0.3
98.09676	1.1
100.07614	0.8
100.11256	100.0
101.07951	0.4
101.11587	4.3
102.11940	0.7
103.05474	0.7
105.07027	1.4
107.04935	2.9
109.06516	0.7
109.10098	0.7
110.06042	1.1
111.04477	0.9
111.08099	0.4
112.04773	0.6
117.13892	1.5
119.04939	3.3
121.02888	0.5
121.06515	0.9
123.04424	8.0
127.08627	0.8
128.06187	0.5
128.07062	0.8
129.07033	1.2
129.10216	0.7
131.04913	1.3
131.08539	0.6
133.06488	0.9
135.04430	4.7
137.02322	2.8
137.05977	2.2
139.08684	1.7
141.11426	0.5
142.03210	0.4
145.02859	0.9
146.03690	0.6
147.04408	8.0
149.05969	0.7
151.03920	0.4
151.54744	0.4
153.05544	0.4
157.06444	0.7
160.05067	0.4
161.05988	7.8
163.03920	4.9
163.07497	2.3
164.64694	0.6
165.05486	2.5
165.06848	0.6
166.06329	0.5
167.07030	1.8
169.06464	0.6
174.06764	1.1
175.03778	0.4
175.07573	2.7
179.03380	3.0
181.08562	2.0
182.15433	1.5
183.15746	1.4
184.15993	0.6
185.16299	0.4
189.09113	2.9
191.03394	62.2
192.04137	2.1
194.07315	0.6
195.08041	0.4
195.39723	0.4
203.03371	2.5
203.85626	0.4
205.04985	1.2
205.06627	0.6
205.10257	0.5
207.08073	0.5
209.16489	13.3
210.14900	1.8
210.16826	0.9
211.15208	1.2
212.15506	1.1
213.15781	0.4
214.68127	0.4
215.18446	0.5
221.04384	4.3
221.06104	0.6
221.09555	0.4
224.08354	0.7
226.19157	1.3
227.17534	4.6
227.19510	0.6
228.17844	0.8
228.67970	0.8
229.18079	0.9
233.04330	0.8
233.09586	0.8
235.07552	1.0
237.09090	1.0
239.07094	0.4
250.06335	0.8
250.09882	0.6
251.06642	0.4
251.10579	0.5
252.07605	0.5
261.09061	1.0
262.90814	0.4
264.07239	0.5
265.08591	3.0
265.12051	0.6
267.10181	0.8
269.08087	0.5
277.46490	0.4
277.73065	0.8
278.09412	0.6
278.23175	0.6
278.73282	2.2
283.06012	0.5
283.13058	0.5
284.10388	0.4
293.11728	2.1
297.07672	0.9
297.11172	1.2
299.12689	0.5
311.12723	5.6
325.07068	0.7
325.14307	0.9
325.29593	1.0
326.27814	0.6
343.08136	22.9
343.14752	3.5
343.30670	80.8
344.30728	0.8
345.31375	0.9
346.31671	0.7
347.31622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68584	1.8
57.03426	7.1
61.02926	2.0
69.03422	6.4
69.24094	13.0
69.24503	4.8
70.06576	6.6
71.04980	3.3
71.08620	3.9
81.03423	2.2
84.08126	2.4
85.02904	14.4
86.09681	1.9
86.82912	1.7
88.67037	1.8
92.79101	2.1
97.02898	4.3
98.21557	3.8
99.08087	15.1
109.06514	4.7
110.07137	3.6
117.09132	100.0
120.08118	2.1
122.05931	1.8
127.03908	2.5
127.07581	5.2
162.05539	3.2
163.03954	2.3
163.09683	11.8
166.05026	2.9
180.06520	5.8
216.28639	2.2
223.54079	1.8
227.93523	2.1
316.96857	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.9
57.07078	10.8
57.74842	2.0
65.26739	1.7
69.03415	4.4
69.07062	2.8
69.84798	4.5
69.85211	4.8
70.06592	100.0
81.03407	2.2
83.08606	4.3
84.08136	3.8
85.02888	14.1
86.09701	19.5
89.05500	2.4
89.06029	36.4
91.05450	10.1
93.07126	1.9
97.02872	4.3
99.05414	1.9
101.09661	15.1
104.60385	2.0
106.83613	1.8
107.06400	3.2
107.07069	38.7
116.74038	2.0
120.08108	1.8
123.14909	2.0
123.66781	2.2
126.51683	1.9
127.03941	2.3
145.04977	2.9
146.05995	3.2
163.13300	97.8
179.03384	4.1
183.14919	26.0
211.14388	16.5
229.15451	3.7
245.18558	5.6
283.06021	8.7
297.07614	25.2
314.07315	2.7
325.07184	8.7
325.11148	1.8
342.11813	2.2
342.15854	2.0
342.23746	4.5
343.08148	13.1
343.11700	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	342.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.8
64.00225	0.6
67.05552	0.6
69.07069	3.0
70.06593	1.2
70.61578	1.4
70.61906	0.7
72.75652	0.6
80.05033	0.9
82.02929	1.7
83.06077	1.1
84.04485	1.1
84.08132	0.7
86.09699	1.7
94.02919	1.6
96.04506	1.2
97.07652	2.3
98.77831	0.8
99.05566	5.3
100.03961	0.7
102.05539	2.6
107.07378	0.7
108.04495	2.9
111.05569	22.9
117.09165	0.9
122.09669	4.3
125.07125	13.0
126.05527	4.8
127.05047	4.5
139.05031	37.7
139.12289	3.4
142.27315	0.7
150.09157	7.1
152.10724	2.0
153.06621	3.4
167.11812	18.4
168.10205	1.6
179.03384	2.0
180.03740	2.8
195.11302	100.0
196.09846	1.1
196.11632	1.3
223.10765	5.0
278.15012	1.9
279.13370	1.0
296.16052	2.0
324.15540	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	342.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
54.03466	0.7
56.05035	3.5
56.88229	0.5
60.04520	0.7
67.05463	0.7
67.96479	0.5
69.07052	2.9
69.24706	5.4
70.06577	2.3
71.16603	0.6
72.08163	1.1
73.17422	0.5
78.30628	0.6
80.05009	1.5
82.02937	3.3
83.06084	1.0
84.04502	1.1
84.08144	0.9
86.09701	3.1
87.04440	0.7
88.49484	0.5
94.02918	1.1
95.08591	0.6
96.04481	1.3
96.08140	1.1
97.07645	2.5
99.05571	5.5
102.05538	1.7
108.04484	3.2
111.05564	26.1
122.09679	4.8
125.07120	12.6
126.05515	5.7
127.05012	3.1
132.08142	0.7
137.09700	1.4
139.05026	39.1
139.12286	3.6
140.05278	0.8
150.09143	7.8
152.10681	3.0
153.06573	4.8
162.02278	0.8
163.09695	0.6
167.11801	17.9
168.10127	1.3
177.10185	0.9
195.11293	100.0
196.09756	0.9
196.11609	1.4
220.81920	0.5
221.11743	0.7
223.07350	1.9
223.10764	4.7
268.49271	0.6
278.14990	1.3
279.06549	1.4
279.13358	2.4
290.48361	0.7
296.09012	5.0
296.16046	2.0
324.15540	21.3
325.15695	0.8
342.06821	1.3
342.13489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	48.6
57.07077	47.0
67.05504	19.6
69.07069	100.0
69.93769	8.5
69.94165	4.9
71.04967	4.1
71.08639	34.8
72.85963	3.0
73.07832	2.8
79.05490	9.4
81.07059	57.0
83.08623	61.6
85.06559	7.8
85.10178	20.2
91.05492	7.5
93.07028	22.6
95.08608	62.2
97.06525	10.4
97.10182	49.6
101.05959	3.2
103.12336	3.8
105.07047	24.0
107.08600	29.6
109.10157	33.3
111.08079	7.1
111.11721	23.7
115.07591	3.7
119.08578	16.8
121.06543	3.2
121.10146	18.9
122.52587	3.7
123.08090	7.6
123.11710	13.8
124.05788	2.9
125.09641	3.3
125.13261	15.2
127.07536	4.6
128.94351	3.5
130.65060	3.5
133.10107	14.5
135.11693	13.1
137.09570	6.2
137.13240	11.5
139.11197	5.7
145.10146	7.3
147.11688	18.3
149.13258	8.5
151.11305	6.5
153.12679	4.4
157.10094	3.4
159.11623	4.0
161.13304	14.9
163.14838	6.8
165.12759	13.0
171.11720	5.2
173.13263	3.6
175.14838	9.4
177.16393	5.8
179.14330	13.9
185.13243	3.2
185.15504	3.5
187.14716	6.8
189.16444	4.4
191.17966	7.0
200.36267	3.5
203.17889	4.2
235.20598	3.7
241.21783	4.3
263.27359	4.3
287.27307	12.1
293.02548	4.3
305.28354	6.1
341.28009	5.9
342.37244	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	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.1
57.07076	5.7
67.05505	26.7
69.07069	21.7
71.04986	19.5
71.08625	8.7
78.22749	3.9
79.05482	28.0
81.06602	4.7
81.07059	89.8
83.08597	12.4
85.06522	5.2
91.05482	20.3
93.07038	76.5
95.04961	4.8
95.08603	73.3
97.10167	13.5
105.07029	51.6
107.08591	71.1
109.06506	15.4
109.10152	46.9
111.08078	13.0
112.70896	3.7
113.09612	7.3
113.75047	3.9
117.06992	6.7
119.08581	93.4
121.10136	61.6
123.11714	25.6
131.08574	24.5
133.10109	37.5
135.11674	36.3
137.09601	8.9
137.13292	8.4
143.08572	10.7
145.10150	30.2
147.11671	32.0
149.13261	41.2
157.10152	17.3
159.11684	50.8
161.13252	33.9
163.14835	29.3
169.10199	4.5
171.11705	13.8
173.13297	33.5
175.14836	21.3
177.12727	5.9
177.16275	4.8
179.14320	5.8
183.11636	5.9
185.13290	10.8
187.14825	31.7
189.16397	18.3
191.17920	28.0
197.13147	5.4
199.14830	14.6
201.16335	19.9
203.17937	11.0
213.16438	20.7
215.18007	23.9
217.19548	5.3
225.16426	4.6
226.44502	4.2
227.17838	23.2
229.19518	12.2
231.17430	4.6
241.19464	10.9
253.19633	4.6
257.22693	13.7
267.21024	11.5
271.24316	10.2
281.22812	8.7
283.24222	72.8
285.22232	4.7
323.27374	70.3
341.28391	100.0
356.43073	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	341.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.7
57.03443	7.4
57.07071	30.4
61.93655	4.6
67.05505	35.5
69.07066	33.9
71.08626	16.4
71.50005	8.7
79.05492	20.6
81.07060	65.4
83.08632	11.0
85.06554	9.2
85.10172	9.0
91.05463	25.4
93.07047	57.3
95.08609	69.7
97.10181	13.3
98.89298	5.2
103.13953	5.3
105.07034	56.2
107.08595	62.6
109.10181	44.8
117.07021	11.7
119.08588	73.0
119.95496	5.0
120.19760	5.3
121.10160	42.5
123.11730	18.1
131.08563	33.5
133.10124	45.5
135.11707	27.0
137.13344	8.3
143.08578	20.2
144.54431	6.2
145.10135	56.5
147.11668	32.1
149.13268	9.8
155.08589	6.4
157.10139	23.3
159.11717	49.3
161.13246	52.3
163.14845	12.5
168.09523	4.9
169.10207	8.6
171.11720	20.9
173.13303	34.1
175.14862	23.9
177.16399	6.5
183.11749	13.0
185.13304	18.7
187.14828	90.0
189.16379	40.5
197.13249	14.4
199.14812	13.2
201.16360	38.2
203.18051	13.3
211.14801	8.9
213.16425	23.6
215.17924	17.6
217.15932	6.9
225.16435	8.1
227.17992	14.1
231.17421	7.2
239.17955	12.9
253.19550	13.0
267.21194	8.2
279.20856	6.6
280.71899	5.9
323.27347	100.0
341.28021	88.8
341.35315	7.6
341.39612	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	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
55.05516	17.4
56.49567	3.4
57.03430	4.6
57.07069	7.8
65.03944	3.5
67.05503	42.6
69.03424	4.0
69.07062	25.0
70.06573	7.6
70.17061	10.7
71.04971	4.4
73.04770	3.8
79.05489	27.2
81.03418	6.4
81.06591	6.5
81.07053	100.0
81.61824	3.0
83.05009	4.5
83.08614	13.9
84.04504	3.9
84.08127	6.3
85.02941	5.3
85.06533	15.2
86.09652	3.5
91.04974	2.6
91.05424	16.1
91.89185	3.3
93.07052	55.9
95.04971	7.4
95.08611	84.3
97.06519	8.2
97.10189	7.2
99.04456	5.2
99.08101	11.4
100.11263	16.0
103.05453	3.7
105.07029	26.2
107.04957	8.3
107.08595	39.3
109.02866	3.0
109.06520	6.2
109.10155	45.7
111.04411	5.7
111.08067	6.9
111.11684	5.0
119.04951	4.1
119.08567	18.8
121.10148	34.6
122.03635	5.1
123.04422	5.4
123.08074	6.9
123.11715	42.2
125.09664	4.7
129.06990	9.4
131.08560	7.6
133.06505	4.9
133.10156	17.6
135.08052	4.9
135.11707	20.2
137.05994	45.9
137.09637	4.1
137.13255	11.1
141.09137	4.2
142.07831	3.6
143.08517	4.9
145.10136	5.3
147.04396	3.4
147.08003	4.5
147.11678	13.6
149.05972	3.0
149.09563	4.9
149.13255	23.8
151.11227	4.8
153.05531	3.8
157.10147	6.3
159.11671	5.6
161.06026	10.4
161.13239	11.8
163.07524	3.6
163.14787	6.2
165.12840	4.6
167.07040	9.9
167.10648	5.2
171.11682	4.2
173.13300	3.9
175.07596	8.2
175.14894	5.1
177.05469	13.9
179.03363	6.0
179.05890	3.0
182.15454	11.3
187.07556	21.4
189.05460	56.3
189.09079	4.6
189.16403	4.6
190.06038	6.5
191.07014	5.0
191.08585	4.1
193.15901	3.5
199.18169	3.7
201.16399	3.4
203.06950	3.2
203.08630	5.5
205.06581	3.9
207.07678	4.7
210.14932	11.5
217.08604	6.5
218.66328	4.2
219.06444	5.5
221.09683	3.9
223.07582	4.9
223.16930	5.6
231.08044	5.5
231.17386	4.7
234.06770	4.7
235.07455	5.4
240.07791	3.2
248.08333	8.6
249.09042	6.9
253.17982	13.3
257.22699	6.9
263.10638	4.1
265.08624	5.9
267.19818	4.5
271.09573	6.7
275.23666	8.1
276.07822	3.5
277.08575	7.9
279.10275	8.1
281.08539	4.6
281.11765	12.3
283.09378	3.9
287.23822	5.6
291.10034	18.1
293.24680	6.8
305.24783	38.7
309.11215	21.6
311.12860	8.1
311.25739	7.2
313.07043	5.4
323.12680	6.8
323.25821	31.3
326.11453	3.2
341.10175	36.0
341.14047	36.1
341.21149	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	341.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01872	1.5
55.05510	5.0
57.03438	1.4
57.07071	3.3
58.20626	1.1
67.05502	11.5
69.07075	6.2
71.04990	5.9
71.61945	1.0
79.05501	7.5
81.07063	14.6
83.04977	3.2
83.08616	3.7
85.06549	19.3
91.05489	7.7
93.07047	18.8
95.04968	1.6
95.08614	27.2
97.10161	2.5
98.21507	3.8
99.08085	2.3
105.07040	16.1
107.01888	1.0
107.04956	1.3
107.08591	14.8
109.06536	4.0
109.10147	9.8
111.04382	1.1
111.08107	6.0
113.09650	3.8
117.07041	4.2
119.08584	17.1
121.06487	2.0
121.10148	11.1
121.10966	1.5
123.08067	10.1
123.11726	2.9
128.06181	1.5
129.06976	2.8
130.07797	1.3
131.08588	7.0
133.06485	1.4
133.10132	15.0
135.08022	7.1
135.11702	4.4
137.06012	3.7
137.09628	3.1
137.13231	2.3
141.07008	1.5
143.08563	5.4
144.09280	1.3
145.10110	18.2
147.08066	1.8
147.11705	5.3
149.09669	2.1
149.13322	2.5
151.07547	100.0
155.08522	2.9
157.10132	4.9
158.10951	1.2
159.08128	1.4
159.11694	8.4
161.13255	5.6
163.07547	1.4
163.11166	2.5
163.14853	1.6
165.09171	2.8
165.12845	1.3
168.09273	1.2
169.10060	2.6
171.11758	3.3
172.08842	1.7
173.09656	4.0
173.13280	5.6
174.36281	1.4
175.07591	5.0
175.11214	2.5
175.14839	2.5
176.08412	1.8
177.09114	6.1
183.11768	2.1
185.09718	1.5
185.13293	5.3
187.11214	2.8
187.14877	4.5
188.08411	2.4
189.09117	15.2
191.10687	19.4
191.14343	4.4
195.08131	1.6
195.11754	2.4
197.09741	1.5
197.13397	2.8
199.11223	2.8
199.14778	2.6
201.09126	7.7
202.09860	2.7
203.10652	8.1
203.14366	4.0
205.12257	1.9
211.11244	2.2
211.14807	1.6
212.08417	1.8
213.09149	2.3
213.12669	2.2
213.16403	4.4
214.09911	3.3
215.10683	9.4
217.12299	3.7
223.11198	2.6
225.09198	1.5
225.12788	2.2
225.16531	2.3
226.09929	3.6
227.10706	5.9
227.17958	2.7
228.11542	1.9
229.12263	20.3
229.14574	1.6
235.11180	1.2
236.12120	1.4
239.10645	3.4
241.12230	10.5
242.13008	1.3
243.13921	3.7
249.12744	1.7
252.11452	1.6
253.12221	3.8
254.13049	3.0
255.13832	5.2
256.14569	4.3
257.15414	8.9
265.15948	3.1
267.13855	5.0
268.14539	2.9
281.15286	1.8
283.16946	21.5
283.24139	5.5
313.18063	1.7
323.20041	11.6
323.27258	9.5
341.21149	59.1
341.28238	20.7
341.98477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
54.74460	0.7
59.05017	3.4
67.05482	0.8
70.06584	3.8
71.49140	0.8
72.08167	0.8
73.04738	0.8
79.05489	0.8
81.07042	1.4
84.08158	1.1
85.02892	0.7
86.09731	3.1
87.04453	1.4
89.06038	38.0
91.05481	2.0
93.03393	2.2
95.04967	1.2
97.19158	0.6
100.11259	0.7
103.05515	0.7
103.07569	0.8
105.07041	0.9
107.04974	1.3
110.07162	1.3
111.04437	4.2
115.05476	1.8
118.06530	1.0
119.04960	0.8
120.08084	1.5
123.04432	33.8
126.23743	0.6
129.07022	1.6
130.06581	3.9
131.06877	1.6
132.08124	0.9
133.07664	1.4
133.08607	16.4
135.04404	2.1
136.06152	0.8
137.02367	1.3
137.05943	2.7
139.02962	0.9
139.03925	13.2
142.06496	0.8
144.08096	15.4
144.09212	1.0
147.04419	5.8
150.58951	0.7
154.06506	1.0
156.08128	5.3
158.24434	0.7
160.07539	3.2
161.05994	1.5
161.07950	5.1
161.10754	1.3
163.03911	1.5
165.05484	4.1
168.08083	3.3
177.11304	3.7
178.05035	1.6
179.03366	2.0
179.05328	1.6
179.08969	1.1
179.10501	0.8
181.04944	2.0
184.07597	7.5
188.07065	0.9
191.03383	1.6
194.09650	1.4
196.07599	5.4
197.06015	0.7
202.08633	4.3
202.63109	0.7
217.08865	1.3
218.09639	17.2
232.07617	1.0
234.79947	0.7
236.10611	0.9
246.09145	16.3
247.09950	0.8
249.07870	50.8
250.08522	2.7
260.10901	0.9
262.08655	1.3
263.09412	1.6
264.10217	61.9
265.10678	1.7
278.11749	1.9
283.17505	2.9
283.20471	0.6
293.78195	0.7
306.11221	2.2
313.07022	0.8
324.12305	100.0
325.12518	2.6
341.06439	1.5
341.15277	1.7
341.26093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03932	2.4
55.05513	5.7
57.03421	1.6
57.07060	1.7
65.03919	1.6
66.99844	1.1
67.05492	5.0
69.03430	3.2
69.07061	4.1
70.06577	2.7
70.67818	2.2
70.68217	2.0
71.04967	1.5
73.04745	1.1
79.05492	5.5
81.03426	2.2
81.07050	10.2
83.04981	2.7
83.08611	2.6
84.08154	2.1
85.02908	2.0
85.06549	2.1
86.09725	1.3
90.25829	1.0
91.05460	7.4
93.07044	6.9
94.04176	2.9
95.04987	2.0
95.08599	7.4
97.10165	1.1
100.11254	6.6
103.05467	8.6
105.07043	8.2
107.04944	4.4
107.08592	5.5
109.02837	1.2
109.06513	2.9
109.10130	3.3
111.08038	1.2
115.05460	3.7
115.71439	1.1
117.07016	3.5
118.49839	1.0
119.04937	3.6
119.08544	5.5
121.10165	3.5
122.03654	7.3
123.04431	2.9
123.11749	1.3
128.06248	2.8
129.06993	4.2
131.04933	6.3
131.08556	1.4
132.05688	3.8
132.88304	1.1
133.06505	2.8
133.10097	2.0
135.11653	1.6
137.05974	100.0
142.46672	1.1
143.04857	1.4
144.05676	1.2
145.02823	1.9
145.06448	2.3
147.04399	7.2
147.08047	4.0
147.11693	2.2
149.05966	1.6
149.09648	1.2
149.13252	1.3
151.07596	1.9
157.06462	2.1
159.08060	3.0
160.05219	3.6
161.05959	9.9
163.03918	1.1
163.07487	6.5
165.06932	1.2
167.07028	3.6
171.08084	1.3
172.05200	1.5
174.06764	1.2
175.07541	31.8
177.05406	2.6
178.07759	1.3
179.03474	1.2
179.07178	2.2
184.05339	1.5
187.07524	9.6
189.05452	1.8
189.06973	1.4
189.09065	2.8
189.16438	1.2
190.07703	3.3
191.08549	6.5
199.07617	6.9
202.07706	2.8
203.06938	1.1
203.08528	7.7
205.06575	2.4
206.07365	2.1
210.15028	2.9
217.08612	4.9
218.07285	1.9
219.08084	11.3
220.08858	2.3
221.06117	1.4
221.09666	3.1
223.07549	1.6
231.08072	7.0
232.08824	1.6
234.06735	2.9
235.07504	2.0
236.08200	2.1
237.09123	2.1
238.09831	1.3
247.07492	5.3
248.08220	3.0
249.09248	5.7
251.06900	1.4
251.10687	10.1
259.07474	3.4
261.09021	1.7
263.10681	4.0
264.07910	1.5
265.08606	3.3
266.09412	1.8
270.63681	1.1
276.07858	2.1
277.08661	5.3
279.10205	7.6
280.10617	1.8
281.11789	4.4
291.10031	9.7
292.10907	1.8
293.08121	1.4
297.11172	1.5
305.24719	2.9
308.10092	1.5
309.11179	11.4
311.12631	8.4
313.07004	2.6
318.43848	1.1
323.12781	5.7
323.25781	2.7
326.11179	1.4
341.06448	4.6
341.10092	3.0
341.13809	13.7
341.18478	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	341.0871
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.03438	0.3
59.05013	0.3
60.22379	0.2
61.02913	0.3
63.60143	0.2
66.39945	0.2
69.03420	0.9
70.06582	0.9
70.94956	0.2
70.95298	0.5
73.04748	0.5
81.03416	0.5
84.08149	0.5
85.02917	2.2
87.04446	0.3
89.03908	0.6
95.04973	0.3
97.02899	0.5
102.39822	0.2
105.03392	0.3
109.02911	0.3
117.03387	0.5
123.04437	10.5
123.05334	0.5
128.61115	0.3
129.10217	0.4
133.01845	0.6
133.02863	9.4
135.04433	1.9
136.07570	0.3
137.06017	0.5
139.03905	0.6
147.04431	0.4
151.03915	4.2
161.02409	0.3
162.20755	0.2
163.03922	0.2
179.03404	100.0
180.03700	1.0
185.79175	0.2
207.07683	0.3
241.33792	0.3
300.36319	0.3
307.10257	0.2
341.08835	0.7
341.17880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01857	1.2
56.05017	0.9
57.03438	5.9
61.02914	1.9
69.03434	8.6
70.06577	2.1
70.15093	3.0
70.15462	1.4
70.61749	0.9
71.01355	1.6
71.04978	1.7
71.98516	0.8
73.02906	1.7
73.04737	1.3
75.04475	1.1
79.05473	1.2
81.03397	1.5
83.06094	1.7
83.48656	0.8
84.04497	1.9
84.08130	2.0
85.02852	0.9
86.09695	1.2
87.04460	1.0
89.03912	1.2
91.05803	2.1
99.04453	2.5
106.06525	2.2
110.06035	1.0
111.05520	2.0
116.04975	1.8
118.05282	1.8
118.24599	0.8
123.04429	3.1
133.02855	1.7
133.07616	17.5
137.05978	2.1
145.07602	30.6
146.08342	0.8
147.04414	1.1
147.09152	2.6
156.06606	0.9
157.07590	4.1
159.09169	2.3
161.05928	1.1
161.07117	2.3
163.03937	2.2
163.08661	76.8
164.09094	1.1
166.03275	1.0
175.08678	1.6
179.03380	17.7
180.13385	0.9
183.09247	1.7
188.09494	2.2
189.06616	4.9
189.10242	1.7
201.10204	1.7
203.03484	1.2
203.08125	4.7
207.07649	100.0
218.10591	1.0
221.68010	0.9
249.12350	1.2
251.07088	1.1
267.13379	0.9
279.13379	12.4
295.06015	1.1
297.14447	59.0
305.11487	1.0
323.12399	9.8
341.06680	2.7
341.13412	84.3
359.02643	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	341.087
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
50.49578	0.2
53.03946	0.4
55.01874	0.4
57.03425	0.5
60.40611	0.3
61.02931	0.3
62.16462	0.2
67.05511	0.3
68.99796	0.6
69.03433	2.6
69.84161	1.4
70.06590	1.4
71.01328	0.4
71.04985	0.9
81.03419	3.4
84.08140	0.3
95.04972	0.3
96.41736	0.3
97.02885	0.4
99.04441	0.9
101.66061	0.3
109.02859	0.3
111.04429	0.8
117.99956	0.3
123.04445	0.3
127.03950	0.4
133.02931	0.4
133.07600	0.7
137.02321	0.3
137.05974	0.8
151.05026	0.7
155.03377	0.6
161.07106	2.1
163.03860	0.4
163.08672	0.8
178.03624	0.3
179.03401	100.0
180.03738	0.9
189.06680	1.8
191.08194	0.9
207.07658	18.6
213.04021	0.3
323.12405	5.6
324.12292	0.6
341.06689	0.6
341.13464	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	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	2.9
70.06575	7.8
71.49608	3.0
72.08147	3.7
73.02927	1.9
74.20476	1.8
81.03417	2.4
84.08129	8.1
85.02911	3.8
86.09676	2.6
86.13693	1.9
91.05479	15.4
97.02906	3.2
109.06571	1.8
111.04449	2.2
114.05606	2.0
119.04945	30.0
120.08148	2.3
123.04436	2.9
135.04448	3.8
137.05974	3.1
139.03932	2.3
146.84958	1.7
147.04413	100.0
150.99158	2.8
160.07503	2.3
161.05923	3.1
161.07121	3.2
163.03896	12.0
177.05363	3.2
207.11186	3.1
224.98962	2.4
257.12842	3.3
303.13333	6.5
321.14236	11.2
339.04764	4.7
339.10522	30.7
339.15442	32.8
339.19495	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	339.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01864	1.3
55.05514	2.3
57.03418	1.1
57.07063	0.8
59.05005	4.4
67.05500	4.3
69.03426	2.3
69.07053	3.1
69.85748	1.4
69.86151	2.7
70.06584	2.2
71.04967	1.1
72.08167	1.9
77.03953	0.9
79.05509	3.6
81.03412	3.7
81.07047	7.3
83.04971	1.8
83.08634	1.2
84.08134	2.5
85.02894	1.6
85.06535	3.3
86.09686	2.9
87.04456	0.7
89.03932	1.7
91.05492	4.6
93.07034	4.0
95.04970	1.1
95.08617	5.4
97.02888	2.6
97.06522	1.5
99.04452	1.8
103.05474	8.8
105.07020	4.4
107.04950	2.6
107.08625	5.3
109.02882	5.7
109.06497	1.7
109.10136	3.0
110.07126	1.1
111.04384	1.2
111.08067	2.6
115.05485	1.9
117.03394	2.7
118.06513	0.8
119.04933	1.5
119.08565	2.4
120.08088	2.3
121.06490	1.0
121.10131	2.9
122.03659	3.2
123.04453	1.9
123.08134	1.0
125.09636	1.8
127.03923	2.7
129.07001	1.8
129.10242	1.0
130.06534	16.9
131.04935	25.8
131.07118	1.4
131.08540	2.0
132.08118	1.6
133.06465	0.9
133.10117	2.0
135.04361	1.8
135.11707	1.6
136.06139	1.4
137.05980	100.0
143.04921	1.8
144.08104	6.2
145.02885	6.0
145.06470	0.9
145.07642	1.1
145.10222	1.3
146.03600	2.6
146.05965	1.9
147.11728	1.1
149.05969	2.2
149.09633	1.0
151.03973	1.7
154.06554	2.7
156.08092	10.8
159.09192	1.7
159.11682	1.8
160.07578	1.9
161.05995	14.2
161.09599	1.9
163.03886	3.5
163.07550	6.5
163.11218	1.6
164.04268	1.0
165.04413	1.4
167.07333	1.9
168.08102	18.7
171.09148	7.0
175.07552	3.8
175.14825	1.2
177.05472	13.9
177.10191	2.2
177.12782	1.3
186.09134	3.0
189.05495	1.3
189.09122	2.1
191.03296	1.1
191.08167	5.4
195.02808	1.1
199.14769	0.9
205.09747	3.5
207.06483	2.1
217.08778	1.2
219.10060	1.0
232.11221	1.4
241.09183	0.9
246.08980	0.9
260.10703	2.8
261.11523	1.2
262.08636	1.8
276.10098	1.2
277.11032	2.5
278.11746	2.2
282.08682	1.2
283.05872	1.4
283.08661	4.3
292.13327	83.0
293.13708	1.1
296.06744	0.9
296.12912	1.8
303.23227	2.2
304.13483	3.8
309.07373	1.4
310.07809	1.2
310.14279	3.0
311.08136	14.7
321.09979	1.3
321.15994	13.4
322.10641	1.1
322.14114	1.0
339.08041	25.2
339.16360	6.8
339.25830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39013	1.8
69.07053	2.3
70.06570	5.0
72.08134	3.1
84.08154	8.7
86.09708	10.8
91.05473	12.0
98.20741	6.5
110.07198	2.0
119.04945	23.1
120.08165	2.0
122.81578	1.8
125.09526	1.8
129.10271	5.7
145.02869	4.5
147.04419	100.0
177.05444	6.9
183.41374	1.8
339.04874	4.1
339.08661	13.7
339.15292	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	339.1077
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03948	2.4
67.05514	1.9
68.99786	2.0
69.03435	2.2
70.06596	10.0
70.60107	1.6
71.04990	1.7
72.08150	2.9
74.06052	1.9
79.05479	3.3
81.07037	3.5
84.04483	3.5
84.08144	5.2
86.00002	1.6
86.09718	3.5
91.05473	17.4
93.07047	2.7
98.06052	1.8
107.04942	2.1
108.17879	1.5
108.64954	1.7
109.02886	1.9
110.06042	4.8
110.07162	1.8
111.04528	2.1
117.03349	3.5
119.04950	24.6
120.08102	2.6
122.05975	3.3
123.04403	4.8
124.07588	6.2
127.03881	1.9
127.83996	1.6
134.05981	3.9
135.04427	3.8
136.07579	16.7
137.02419	1.6
140.07069	1.8
145.02850	4.0
147.04417	100.0
149.05925	2.3
150.05469	2.2
151.03908	2.4
152.07104	16.1
163.03932	19.5
164.07071	17.3
166.03304	2.0
170.08131	2.1
177.05421	9.5
180.06587	2.2
182.08136	5.5
189.83028	1.6
207.06398	2.0
211.50911	1.6
279.09644	2.3
283.05872	2.0
303.13379	11.3
311.05341	3.1
321.10837	2.1
321.14386	5.7
339.04941	5.8
339.08743	5.1
339.15482	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	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.23353	1.9
69.85254	3.9
69.85542	11.6
70.06597	3.1
79.12451	2.0
84.04482	2.2
84.08154	3.0
86.09690	3.0
91.05496	15.4
94.52694	2.3
97.68856	2.0
98.21489	2.5
107.39298	2.2
119.04942	31.5
123.68494	2.3
145.02945	3.0
147.04411	100.0
162.10275	4.4
177.05519	4.3
188.08195	8.0
213.13983	2.4
311.37189	2.0
322.13989	11.3
339.04959	3.9
339.08496	4.1
339.16516	3.3
353.98151	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1103
Annotation	Firocoxib
Peak:m/z	Relative Intensity
54.27514	0.3
58.20135	0.3
60.05655	0.5
60.42290	0.3
61.55157	0.3
67.82490	0.3
69.03573	0.4
70.06593	0.9
71.49172	0.5
80.57456	0.3
95.83038	0.3
101.00880	0.9
114.10480	0.4
119.82817	0.4
157.03467	0.8
175.05804	0.5
216.97038	0.6
234.90726	0.3
235.06523	0.4
277.07703	1.6
282.67383	0.4
295.08804	1.6
337.11029	100.0
338.11475	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01859	5.3
55.05274	1.6
55.05511	21.5
55.11108	1.4
57.03196	1.5
57.03440	16.9
57.07080	20.0
61.02909	4.1
66.14608	1.3
67.05503	20.9
69.03431	18.1
69.07073	14.9
69.28897	4.6
69.29320	6.9
71.01362	3.1
71.04982	9.0
73.02920	12.7
73.06538	3.5
75.04485	1.6
79.05492	32.4
81.03403	3.8
81.07059	41.3
83.04980	8.6
83.08606	7.7
85.02911	12.1
85.06543	25.5
87.04480	2.5
91.05488	19.1
93.07037	15.6
95.04951	4.5
95.08602	13.2
96.31816	1.4
97.02890	1.7
97.06530	7.0
97.10205	1.6
98.20807	3.0
99.04446	7.7
99.08078	4.6
103.03932	3.0
103.07584	3.2
105.06991	4.7
107.04896	1.5
107.08598	8.1
109.06523	16.5
111.04463	7.5
111.07376	2.3
111.08083	29.2
115.03934	4.2
115.07545	2.6
117.07019	1.7
123.08059	4.7
125.09615	7.8
127.07562	15.2
129.05429	3.5
129.09103	5.6
131.21548	1.4
133.10135	29.2
135.08031	4.2
141.09161	1.6
145.08572	1.8
149.09622	100.0
153.09097	22.0
163.03876	3.1
171.10179	22.9
188.26678	1.5
189.11214	5.1
310.82925	1.5
337.26990	4.3
357.85217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
53.49188	0.5
55.01875	1.4
55.05517	0.7
56.05039	2.6
56.96562	1.8
57.03432	2.4
60.04504	1.0
61.02934	3.2
67.05526	0.7
69.03431	8.1
69.07072	0.9
69.14203	4.6
69.14613	1.3
70.06600	4.7
71.04994	1.6
71.06920	0.6
72.04509	1.7
72.50238	0.5
72.93782	0.7
73.02914	1.9
74.06081	11.1
74.97616	0.8
79.05468	0.5
81.03423	4.2
83.05011	0.8
84.04525	1.0
84.08132	1.4
85.02908	19.2
85.04018	0.7
86.09697	0.9
87.04472	1.8
87.05598	0.7
88.04021	0.5
88.07620	2.8
89.03956	0.5
90.05564	1.0
90.94849	0.6
91.03960	1.1
97.02892	7.0
98.06041	0.6
98.97578	1.2
99.04449	1.8
102.05536	0.5
107.04958	1.1
109.02883	1.9
112.11234	2.2
115.05072	1.0
116.07096	1.4
119.01905	0.9
123.04411	0.9
123.05772	0.5
127.03921	4.9
130.12280	100.0
132.98077	0.9
135.04446	1.0
136.07518	0.7
144.98094	0.6
145.04944	2.1
147.04393	1.2
157.78404	0.5
158.11775	1.4
160.07501	0.6
160.95285	0.6
163.03937	1.8
164.04218	0.8
176.12823	90.6
177.13257	0.6
200.12830	0.8
203.03453	0.9
232.05910	0.7
233.89792	0.6
242.07202	0.6
249.08923	0.7
255.66226	0.5
292.17249	0.6
299.52866	0.6
320.13849	0.9
338.08926	0.8
338.12445	0.6
338.18033	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	337.0919
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03917	1.2
55.01866	0.9
55.05510	0.7
61.02896	0.8
64.23887	0.5
65.03912	1.8
67.05504	3.2
67.99339	0.5
68.70625	0.5
69.03417	0.8
69.07034	0.7
70.06567	2.1
71.39910	0.5
71.48936	0.5
72.08134	1.1
76.88470	0.5
79.05478	1.4
79.08923	0.4
83.04952	2.2
84.04483	1.0
84.08120	1.7
86.09688	0.6
89.03523	0.5
89.03924	5.2
91.05478	0.7
93.03381	1.1
95.04965	10.5
103.05453	1.3
105.04423	0.7
107.04942	2.8
110.02777	0.5
111.04476	3.5
115.05423	1.0
116.07037	0.6
117.03383	9.7
117.45009	0.5
117.52177	0.5
119.04920	0.7
120.08059	0.7
121.02855	2.3
123.04429	1.0
128.06172	0.6
129.10188	0.5
130.06519	1.9
131.04927	5.2
135.04422	17.9
139.03917	3.7
140.07019	0.5
141.07033	1.1
144.08052	0.8
145.02856	14.9
145.03998	0.7
145.06496	0.6
146.03569	0.6
147.04427	2.4
147.08028	0.7
154.02672	0.6
156.07974	0.6
157.07620	1.4
158.06010	2.0
159.04422	1.0
159.09186	0.7
161.05978	1.6
163.03911	100.0
164.04222	1.0
164.07021	0.5
169.06522	1.0
175.08705	1.3
176.04758	0.6
178.06346	0.5
179.09743	0.5
181.04976	3.1
187.03928	2.0
187.07504	0.9
188.04626	0.7
189.01797	1.2
189.05501	1.7
191.07011	3.9
193.08629	0.6
197.06009	1.0
203.03389	0.6
203.08365	0.7
204.04204	2.1
205.08569	0.7
208.09805	0.6
213.05350	0.6
214.06407	0.6
215.07037	1.6
217.04897	1.1
217.08626	0.5
218.05824	0.8
219.06514	3.4
229.08575	0.9
231.06566	1.2
235.06120	0.7
243.06633	0.8
245.04486	2.3
245.08406	0.6
247.09769	1.7
257.08054	1.2
260.06851	2.0
262.04892	0.7
273.07547	1.5
275.09164	2.8
277.07047	5.6
287.05676	0.8
301.11636	1.0
309.07782	0.6
319.08377	1.2
319.12753	1.4
337.09299	39.7
337.13467	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0918
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
51.54024	0.3
53.03932	1.3
55.05496	0.6
63.02370	0.5
63.43643	0.3
65.03940	1.7
67.05515	3.3
67.77283	0.3
69.03415	1.1
70.02946	0.4
70.06594	0.9
70.47056	0.3
70.81978	0.4
70.82288	0.4
76.99314	0.4
79.05484	0.9
79.76581	0.3
80.05046	0.3
83.04978	2.6
84.04467	0.6
84.08076	0.4
85.02917	0.4
87.00821	0.4
88.04004	0.4
89.03411	0.5
89.03918	5.7
90.15662	0.3
91.05480	0.5
93.03408	2.1
94.07915	0.3
95.04372	0.6
95.04974	10.1
105.04498	0.7
107.04974	2.8
111.04449	5.1
117.03384	10.2
118.06464	0.5
119.04973	0.5
121.02896	5.1
123.04432	1.0
129.05508	0.4
135.04420	22.2
139.03903	3.9
145.02852	15.5
145.03934	0.5
146.03606	0.5
146.06001	0.7
147.04405	1.2
157.05058	0.4
159.04387	0.3
163.03906	100.0
164.04564	1.1
165.05505	0.7
181.04961	4.8
191.07123	0.4
194.61600	0.3
217.07126	0.4
228.08775	0.4
229.09821	0.4
273.07697	0.7
275.09335	0.4
302.10349	0.5
319.08444	0.5
337.09204	44.1
338.09372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	4.7
55.05268	2.1
55.05510	24.9
57.03436	20.5
57.07060	3.1
65.03918	6.4
67.05502	91.4
69.07065	19.6
70.75677	4.3
71.04978	2.8
79.05494	44.5
81.07054	80.7
83.08627	9.5
91.05481	23.5
93.06493	3.0
93.07044	47.0
95.04965	2.4
95.08608	62.0
97.06502	2.6
97.10151	3.3
105.04552	1.9
105.07029	15.9
107.08591	26.8
109.10151	24.2
117.07006	4.7
119.08553	11.3
121.10143	21.1
123.11701	9.6
131.08597	10.9
133.10115	7.9
135.08018	1.5
135.11697	12.2
137.09573	1.9
137.13257	1.8
145.10103	5.9
147.11670	6.3
149.13306	8.3
159.11694	4.8
160.56252	1.4
161.13219	7.5
163.14743	2.8
173.13258	6.6
175.14853	1.8
187.14845	2.5
223.26440	1.6
243.21107	5.0
259.84625	1.5
261.22217	8.7
279.23032	1.6
287.19778	1.7
335.25793	100.0
356.24423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	5.4
55.01855	1.5
55.05509	24.6
57.03437	31.3
57.07056	1.4
60.98404	1.2
65.03927	4.4
67.05505	97.3
69.07069	23.6
69.26860	9.7
69.27279	2.5
71.04980	1.8
78.80898	1.4
79.05492	53.4
79.33797	1.3
81.07055	92.1
83.04976	2.7
83.08621	9.3
85.06536	2.0
91.05482	26.6
93.07043	55.6
95.04958	3.7
95.08607	74.8
97.06528	2.5
97.10149	4.8
101.58277	1.2
105.04527	2.2
105.07030	13.8
107.08590	28.8
109.06530	2.5
109.10155	27.0
117.06994	6.8
119.08578	12.2
121.10136	21.9
123.11696	9.9
125.09621	1.6
127.63251	1.4
128.37511	1.2
131.08551	8.9
133.10110	10.1
135.11684	14.1
135.27809	1.3
137.13213	1.7
145.10083	6.4
147.11674	6.6
149.13257	8.6
159.11649	3.1
161.13205	5.5
163.14796	2.4
165.12787	1.9
173.13283	3.9
175.14867	2.1
187.14769	2.2
215.83041	1.4
229.32745	1.3
243.20982	3.1
261.22156	7.1
324.46414	1.5
335.25784	100.0
336.25922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0703
Annotation	Garhwalin
Peak:m/z	Relative Intensity
50.40706	0.1
51.02374	0.1
53.03937	0.2
55.01860	0.5
65.03933	0.6
67.05499	1.7
67.67760	0.1
68.99780	1.6
69.03426	0.2
69.07089	0.1
69.69666	0.2
69.70085	0.1
72.67764	0.1
77.03911	0.1
79.05478	1.6
81.03408	0.4
81.07055	0.1
83.04963	0.1
86.09685	0.1
89.03895	0.4
91.05472	2.2
92.99758	0.1
93.03386	0.4
95.01321	0.1
95.04958	4.2
103.05498	0.1
105.03374	0.4
105.04488	0.1
105.07043	0.1
107.04942	3.8
109.02870	0.1
111.04429	0.2
117.03370	0.4
118.04140	0.2
119.04930	4.5
121.02855	7.7
123.04420	0.5
129.03299	0.1
129.06950	0.1
131.01274	0.1
131.04926	0.3
131.31345	0.1
133.02820	0.1
134.03572	0.1
135.04401	4.9
135.58824	0.1
137.05952	0.1
139.03828	0.1
141.06927	0.1
145.02826	8.0
147.04338	0.4
148.01483	0.1
149.02321	1.0
153.05479	0.1
157.06487	0.1
159.04475	0.1
161.02238	0.1
161.05966	0.1
162.03125	0.1
163.03880	23.7
164.04227	0.2
165.01802	0.2
165.05464	0.2
165.06990	0.2
167.03435	0.4
167.08533	0.1
171.04347	0.1
173.02339	0.7
175.03873	0.1
176.01047	0.9
177.01849	0.1
178.07826	0.1
179.08488	0.3
181.04936	6.2
182.07216	0.1
182.15308	0.1
183.02885	0.1
183.08041	0.2
185.09619	0.1
187.03922	0.3
189.01813	0.2
189.05435	0.1
189.06956	0.1
190.02608	0.3
191.03369	11.0
192.03766	0.1
194.02141	0.2
194.07292	0.1
195.08093	0.3
197.05975	0.2
197.09607	0.1
198.11530	0.1
201.01851	0.1
202.41441	0.1
207.08069	0.4
209.04413	1.6
210.06654	0.4
210.14767	0.1
211.07507	0.3
213.09073	0.1
219.02823	0.4
221.06003	0.2
224.08398	0.1
225.09091	0.3
229.04976	0.4
235.07498	0.5
237.05316	0.3
238.06287	0.5
239.07028	1.5
249.05385	0.1
252.07755	0.3
253.08571	1.6
254.05864	0.1
254.09019	0.1
255.06476	0.2
263.06970	1.1
264.07858	0.1
265.05032	0.1
266.05612	0.7
267.04266	0.1
267.06458	2.2
270.05075	0.3
279.06488	4.2
280.07217	0.5
281.08047	38.5
282.08377	0.7
283.05875	0.4
291.06451	1.3
292.07135	0.2
293.04520	0.1
293.07776	0.1
294.05164	2.7
295.05994	1.0
307.06000	0.8
308.06775	2.1
309.07513	95.0
310.07852	1.9
319.05954	0.2
337.07001	100.0
338.07397	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03928	4.8
55.01868	2.1
55.05511	24.3
57.03431	18.7
57.07063	5.1
67.05505	85.6
69.07071	20.7
71.04984	3.5
73.24483	1.5
79.05492	41.9
79.54539	1.5
81.07053	90.7
83.04975	1.7
83.08614	9.9
85.06548	2.6
91.05479	23.8
91.46475	1.4
93.06490	2.8
93.07044	51.9
94.79564	1.9
95.04972	4.3
95.08607	68.2
97.06534	4.8
97.10152	4.6
99.08096	1.8
102.54970	1.5
105.04486	2.3
105.07040	13.3
107.08591	26.0
109.06552	2.0
109.10153	30.3
117.07002	5.2
119.08563	12.2
121.10143	20.4
123.08066	3.2
123.11702	11.8
129.06863	1.7
131.08569	8.9
133.10110	7.9
135.11700	13.7
137.09540	1.8
137.13210	2.5
145.10114	8.0
145.49733	1.4
147.11694	6.2
149.13214	7.6
158.28433	2.0
159.11685	3.5
161.13297	3.7
163.14822	4.3
173.13287	6.5
175.14897	2.6
187.14815	2.6
194.12489	1.8
228.96001	1.6
243.21069	2.5
244.67587	1.6
261.22095	9.8
335.25790	100.0
354.51794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47401	1.1
56.05020	1.3
67.05490	1.3
69.03429	3.0
69.04543	3.9
70.06602	6.9
71.48100	1.5
72.08140	1.3
72.93802	2.1
77.10265	1.0
81.03409	1.4
81.07042	1.4
84.04505	4.5
84.08149	2.4
85.02905	2.6
86.06049	1.8
86.09704	3.8
87.10060	1.8
87.87972	1.0
88.03993	2.1
90.94857	1.1
97.02888	1.7
101.07143	2.0
110.06068	1.8
112.03925	1.2
127.19554	1.3
129.10258	1.8
130.06526	100.0
131.20859	1.1
132.04448	23.0
132.08098	1.9
132.95825	2.7
136.07574	1.8
141.05757	1.2
144.06613	1.4
144.95802	1.1
145.07637	1.6
146.06012	6.2
146.14008	1.1
151.03908	1.1
155.06047	3.6
157.07607	30.4
158.06001	17.2
158.97412	2.4
159.09169	2.3
163.03908	3.5
169.06319	1.5
169.07570	5.2
173.00629	2.4
173.07097	6.7
173.09959	2.3
174.05540	3.4
175.08688	6.8
176.98383	1.3
178.17134	1.0
179.03453	2.9
181.07631	3.9
185.02129	2.7
185.07104	14.7
186.05490	1.3
187.08701	1.7
187.14496	1.3
188.14839	3.1
189.94225	1.1
190.05310	1.7
197.07158	5.3
199.08638	2.0
203.08195	3.4
214.09808	2.3
214.99843	1.5
215.08159	4.0
216.97852	1.5
219.70561	1.3
221.02963	8.1
225.06584	10.0
232.10849	11.9
234.98930	8.5
242.09294	4.3
243.07660	30.7
260.10306	31.9
278.11414	1.5
300.06833	1.7
300.09818	8.9
317.03088	6.6
317.12448	13.0
335.04391	2.4
335.12601	7.6
335.16074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60259	1.5
54.77142	1.4
55.01873	1.7
55.05515	3.0
56.04758	2.1
56.05036	42.4
57.14877	1.5
58.29568	1.4
61.01155	28.9
61.96307	1.5
67.05505	4.0
68.27391	1.7
69.03426	7.0
69.07064	5.2
69.24845	1.4
70.06599	5.9
70.57302	1.5
70.72501	1.4
71.48934	2.4
72.08160	12.0
79.05489	3.6
81.03387	1.6
81.07044	4.8
83.04974	2.5
84.04506	94.0
84.08156	3.5
85.02911	3.9
86.09702	6.3
90.89334	1.5
91.05487	4.5
93.07030	2.4
95.04954	2.1
95.08614	2.8
97.02866	2.0
97.06508	2.1
98.06059	12.2
102.05546	31.9
104.05331	58.8
105.07040	5.3
107.08609	3.6
109.06525	3.6
111.08102	2.2
116.07098	9.9
119.04995	1.9
119.08582	2.7
120.08127	5.0
121.06561	2.6
121.10142	4.4
122.06047	2.2
123.04472	4.8
123.08079	1.8
124.07624	3.4
129.10245	3.6
130.06471	1.7
133.06502	2.2
133.10168	3.3
135.08060	2.0
135.11684	1.9
137.06023	4.8
139.03888	2.7
144.06563	77.6
145.02829	3.5
145.10156	2.5
146.06364	34.1
147.04469	3.7
147.11641	2.7
149.13203	1.6
162.07619	100.0
163.03856	2.4
165.05487	3.0
166.04997	2.5
174.05803	11.4
175.33513	1.6
177.05479	5.4
191.14246	1.9
193.04948	4.3
198.07892	3.6
208.09650	2.0
212.09416	2.6
213.10236	3.2
227.08153	2.0
243.07368	1.8
243.11322	2.5
271.08115	1.9
271.10803	7.0
287.10254	27.8
288.10736	1.7
289.11761	2.4
299.10019	7.1
317.11356	31.0
335.12424	3.6
335.18484	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	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.05502	1.9
63.45729	1.6
65.03931	2.3
67.05497	6.9
68.86305	1.4
69.03436	2.1
69.07068	100.0
70.06586	7.7
72.08150	4.5
79.05495	4.0
81.03389	1.4
81.07053	5.1
84.08145	5.2
86.09711	12.8
91.05483	2.3
92.05050	3.6
93.07055	2.6
94.06575	5.4
95.04984	3.2
95.08537	1.9
96.08107	2.8
97.06527	18.8
105.07040	2.4
105.90469	1.7
113.07856	1.5
120.08115	4.4
121.02901	1.8
122.06044	12.2
124.07581	4.0
125.05941	1.7
127.03997	1.7
129.07018	1.6
129.10298	2.4
130.06519	5.5
135.08038	2.1
138.05487	3.7
140.07066	8.7
144.08089	2.6
145.08910	2.4
146.09662	2.9
148.03912	2.5
150.05505	91.9
157.08850	3.0
158.06084	3.7
159.06355	3.7
161.08380	4.2
162.09186	1.8
166.04996	32.4
168.06575	3.0
172.07587	1.7
172.11177	2.1
173.09558	1.7
174.09210	1.9
174.12810	2.0
175.08672	3.7
176.03485	9.1
176.09087	3.5
178.05008	3.3
189.01770	4.7
190.12280	5.8
194.04517	5.5
197.43259	1.7
200.10776	5.4
202.12314	3.9
206.11842	1.8
213.10222	2.2
216.10233	2.9
217.54567	1.7
218.11766	16.1
221.09210	5.4
222.09550	6.7
227.11850	1.9
228.10178	7.8
241.09747	2.5
243.11421	2.1
245.12791	2.0
246.11317	10.3
256.09589	2.1
257.09354	2.1
270.29071	1.7
271.07141	1.9
271.10791	6.7
272.09302	2.3
273.12399	3.0
287.10263	34.1
289.11816	5.3
290.10110	2.2
296.59930	1.9
299.10208	5.4
304.13165	2.2
307.06009	4.9
317.11285	31.6
335.05521	7.2
335.08960	3.8
335.12476	8.0
335.17267	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42047	0.6
53.03938	1.0
55.00706	0.7
55.05511	1.7
65.03936	3.7
67.05509	4.8
68.05066	0.7
69.03465	0.6
69.07069	100.0
69.44347	0.8
69.84586	3.8
70.06596	1.2
70.07404	0.9
70.22003	0.7
79.05500	2.4
80.05042	0.8
81.03418	0.8
81.07066	5.4
82.06601	0.7
84.08154	1.4
89.29982	0.9
91.05491	1.7
91.45379	0.7
92.05016	3.0
93.05798	0.9
93.07048	2.5
94.06581	4.4
95.04985	1.5
95.08607	1.1
96.08147	1.1
97.06535	18.1
98.21487	1.3
105.07037	1.5
106.06548	0.9
107.08616	1.0
108.04529	0.7
109.06534	1.3
109.10220	0.8
117.07066	0.8
120.04442	1.1
121.05264	1.4
121.06530	1.7
122.06025	8.8
124.07621	2.5
125.06011	1.7
130.06509	0.8
131.07318	1.2
132.08142	0.9
135.11665	0.9
137.05956	3.7
138.05489	5.7
140.07069	6.9
142.08652	0.7
144.08113	1.7
145.08865	3.1
145.10023	1.4
146.09653	3.6
147.06821	1.4
148.03896	3.6
148.07632	1.0
150.05504	79.1
151.07550	0.9
152.03403	0.8
157.08885	2.7
158.09724	1.3
159.10466	1.2
160.07593	1.1
160.11282	1.2
161.07227	1.1
161.08374	4.7
162.09189	2.5
164.07222	0.8
165.04231	1.2
166.05003	29.5
168.06612	2.3
172.07625	2.4
172.11249	3.9
173.08365	2.8
173.09708	1.2
174.09207	1.4
174.12805	5.5
176.03412	8.7
178.05066	2.5
181.79802	0.7
182.09738	1.1
185.08472	2.3
186.05717	1.2
186.07591	1.3
188.10762	1.6
190.08636	0.7
190.12292	4.7
194.04456	4.7
198.07762	1.5
198.09335	1.5
199.06337	1.1
200.07230	0.8
200.10780	7.0
201.15123	0.7
202.12263	8.8
204.06590	0.7
204.10193	0.7
213.10283	1.5
216.10234	4.5
218.08426	1.7
218.11757	33.6
225.10344	1.2
226.08748	1.6
228.10217	17.1
228.12306	1.1
229.13449	1.2
234.11206	4.4
243.11395	1.3
244.09717	2.0
245.12987	2.0
246.11292	26.2
246.13689	1.5
254.08217	1.3
255.11308	1.7
256.09784	1.3
257.09384	1.5
261.12344	1.1
269.09149	0.9
271.07867	1.4
271.10883	5.2
272.09116	3.8
273.12421	2.8
274.10904	3.1
287.10254	10.1
287.13092	1.2
289.11801	11.1
290.10300	1.5
291.13498	1.4
299.10309	8.2
317.11301	28.7
318.09818	0.9
335.12408	21.8
357.94391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.8
65.03928	2.2
67.05496	4.2
69.03420	3.6
69.07059	2.4
69.87312	3.2
69.87708	3.5
70.06604	7.4
74.02429	3.7
79.05496	3.1
83.04964	1.8
84.04505	3.9
84.08144	5.1
85.02914	3.7
85.06544	2.0
86.09697	5.7
90.54340	1.5
91.05505	2.0
94.06563	2.5
95.04982	1.9
95.18410	1.6
96.08156	2.8
97.06547	1.8
105.03378	3.6
107.04967	3.9
109.06556	2.0
110.07121	1.6
115.05455	2.4
118.06545	17.4
123.04406	1.9
124.07597	11.1
129.07039	3.3
130.06522	20.7
131.03400	2.5
131.92831	1.5
132.08093	19.0
133.02867	8.6
135.04405	1.7
137.06137	1.9
138.05492	3.1
140.06995	1.8
142.06532	4.4
143.07285	2.0
144.08083	55.3
146.06009	35.3
147.11157	1.5
150.05542	1.5
151.03897	2.5
154.06506	10.2
156.08083	9.1
157.07570	1.9
158.08369	1.6
159.09193	2.6
161.02353	2.3
163.03943	3.0
165.63599	1.5
166.05002	3.0
168.08095	2.3
169.07605	22.5
170.06036	14.8
170.08315	2.9
171.09215	14.2
172.07561	21.6
173.07135	5.9
175.08693	1.7
179.03384	16.2
180.02948	2.3
180.08015	2.3
181.07607	30.9
182.06036	4.4
182.08421	5.8
183.09138	7.6
184.07603	5.1
185.07024	2.6
186.09137	2.5
188.07066	58.4
194.04515	2.4
195.09380	2.0
196.07574	2.0
197.07162	3.4
198.07774	5.0
198.09322	3.1
199.08711	14.8
200.07162	2.5
204.05042	2.3
205.09709	9.3
211.08691	5.8
213.10257	7.1
215.08235	2.7
215.11909	2.8
217.09784	6.9
225.10298	4.6
226.08975	2.1
227.08252	4.2
227.11813	3.0
229.09746	5.7
230.08160	5.3
241.09671	5.2
243.11349	6.7
244.09706	2.3
245.09219	67.6
247.10722	8.6
253.09845	3.1
255.11336	2.6
257.09219	5.0
261.12372	2.8
262.10730	7.4
269.09155	3.9
271.07901	2.9
271.10632	11.9
273.12326	2.9
287.10269	71.1
289.11795	10.0
290.10403	2.2
299.10214	14.3
307.12878	12.5
317.11325	64.7
335.12384	100.0
335.16010	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	335.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.5
61.37296	0.5
63.16336	0.5
64.87054	0.5
65.64247	0.4
65.86163	0.5
66.62012	0.4
69.03416	0.9
69.68536	0.5
70.06572	0.9
70.95833	0.6
71.49290	0.9
72.08138	0.5
72.93771	0.7
79.73414	0.4
84.08160	0.9
85.02901	1.4
90.94798	0.6
98.98513	0.5
101.00886	1.3
109.02874	0.6
119.01894	1.4
130.08658	0.6
132.95793	0.5
139.58954	0.5
143.01968	0.7
145.03459	0.7
158.97397	0.9
164.71266	0.5
169.03458	0.8
173.00574	0.9
173.02745	0.9
173.04218	15.9
185.04268	1.9
187.04536	0.8
197.24625	0.5
203.05324	0.9
221.05179	0.7
228.91130	0.5
245.04979	0.9
275.02698	0.8
275.07510	0.7
289.08917	1.4
313.16687	0.5
317.08368	1.1
335.09464	100.0
336.09744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.05522	8.4
57.03431	1.7
61.02921	3.0
69.03415	5.4
69.70811	7.5
70.06589	2.1
71.04982	3.9
79.05482	3.3
81.03408	3.4
81.06597	1.5
81.07066	22.6
83.08634	6.2
84.08173	1.5
85.02908	16.0
85.06533	3.8
86.09702	2.3
97.02892	3.4
97.05260	1.4
98.06050	1.6
98.09689	4.1
99.08090	2.4
108.08108	5.4
109.06519	22.0
110.06097	1.4
114.27394	1.2
117.03916	1.3
126.09160	51.5
127.03867	2.2
127.07565	23.2
130.08618	2.5
135.32922	1.3
137.05966	1.8
145.04936	1.5
154.08635	68.1
155.07037	43.0
172.09692	100.0
234.19594	1.2
254.00804	1.4
316.10172	2.2
321.58563	1.4
335.12097	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96250	0.3
55.05513	4.9
56.05035	3.6
57.03439	0.8
57.07079	3.4
58.02973	0.9
60.04527	100.0
60.12778	0.3
67.05506	10.5
68.05035	1.5
69.03426	0.4
69.07073	6.5
70.02946	0.5
70.06611	1.7
70.55064	1.2
71.05013	1.0
71.08633	1.5
72.04517	3.3
74.06097	2.2
79.05491	4.4
80.05022	1.9
81.03452	0.4
81.07059	12.3
82.06592	1.7
83.04982	0.9
83.08626	5.7
84.04519	0.7
84.08176	0.5
85.06554	0.4
85.10188	1.2
85.10744	0.3
86.06084	0.7
90.05553	1.2
91.05497	2.4
91.55608	0.3
93.07060	3.4
94.06544	0.6
95.04967	0.8
95.08609	12.4
96.08157	1.2
97.06531	0.7
97.10184	2.8
98.06065	0.9
98.98444	0.6
100.07644	0.4
102.05531	2.1
105.07047	1.8
107.08620	1.6
108.08130	0.7
109.06564	0.4
109.10155	5.2
111.11723	1.3
112.07629	0.6
116.07091	2.0
119.08595	1.2
120.06587	0.5
121.10149	2.1
123.11702	1.9
133.10143	0.7
135.11708	1.3
137.13243	0.6
147.11667	0.4
149.13307	0.5
151.14754	0.7
169.15791	0.4
187.13115	0.3
221.22717	1.1
239.23669	2.3
245.22778	0.5
250.25334	1.4
251.23744	0.5
252.26903	0.4
254.24907	0.4
262.25327	1.5
263.23679	1.2
268.26376	1.0
272.25882	0.6
280.26358	10.0
298.27393	18.2
311.06281	0.4
316.28467	44.0
317.28821	1.0
334.29520	35.1
335.29904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02634	9.7
70.06592	6.1
84.04471	3.3
84.08150	3.0
86.09723	4.6
91.05498	2.7
91.12911	2.3
95.04986	3.8
101.51952	2.2
103.71828	3.2
119.04945	6.6
123.04430	45.3
130.06517	2.5
135.04384	4.3
139.03902	14.2
145.39262	2.2
147.04405	20.4
151.03903	86.9
159.04495	4.8
161.05920	2.2
163.03876	6.3
165.05495	9.6
179.23671	2.3
181.04936	9.5
182.71965	2.2
189.43478	2.9
193.04825	3.4
198.07408	6.6
207.06473	3.7
216.72560	2.2
236.74088	2.6
243.06581	3.2
271.12177	2.4
285.07526	3.2
298.08987	3.1
303.08636	100.0
316.10016	7.7
334.11157	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.01870	3.3
55.05505	4.6
57.03434	5.9
57.07067	13.9
59.05001	8.4
60.04521	7.6
61.02924	8.4
61.04861	2.6
66.52023	2.3
67.05492	12.8
69.03432	23.9
69.07076	13.2
70.06596	3.9
71.04999	5.1
71.48946	4.2
71.79731	2.4
72.08169	3.8
73.02927	3.6
77.03899	3.0
79.05485	3.0
81.03419	10.9
81.07047	7.3
83.08616	6.1
84.08150	2.9
85.02911	69.4
85.06549	11.6
86.09708	51.2
87.04476	2.8
87.10027	16.8
91.03963	4.4
91.05482	4.1
93.07030	6.7
95.05013	3.8
95.08613	49.6
97.02893	26.2
97.06530	6.5
98.98475	25.7
99.04448	4.9
99.08085	14.2
107.08585	10.0
109.02893	8.4
109.06546	10.2
109.10168	19.2
111.08094	11.0
113.09650	53.8
114.24632	3.1
120.08099	4.8
123.04390	2.7
127.03929	13.0
127.11207	37.6
127.28918	2.3
129.10208	2.4
130.06516	4.5
132.04385	2.9
132.10176	4.0
133.10532	2.4
135.11696	11.1
145.04977	18.4
146.05991	2.5
147.01140	2.4
153.12750	81.5
155.14348	8.8
163.03909	2.4
171.13815	39.7
173.12875	6.9
174.13171	8.1
184.10019	2.6
191.03458	3.3
196.94106	2.5
199.08661	4.6
201.12340	4.7
202.12628	3.3
211.08838	3.4
213.06770	3.6
213.10161	2.7
213.14809	3.1
219.13489	5.2
220.13797	10.0
223.08807	3.1
225.10210	4.8
226.11086	9.1
227.11818	9.5
228.10124	4.3
254.10362	2.9
255.11308	9.3
262.68668	3.2
269.09039	2.3
270.09946	18.9
271.10703	3.6
272.11600	12.5
273.12341	8.4
283.10861	10.4
287.10229	3.3
301.11859	100.0
315.13251	4.7
333.07581	4.1
333.10852	5.5
333.14462	30.5
333.18832	66.3
333.22568	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	333.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00785	0.7
69.03437	0.8
69.07057	0.9
70.06598	4.2
71.13127	1.4
72.08154	2.9
80.95647	0.7
81.07070	0.8
84.04486	0.8
84.08141	6.1
85.02946	1.1
86.09696	2.7
91.05483	1.5
98.98471	11.2
100.98885	0.9
109.02933	0.8
110.07172	0.8
115.05476	0.9
118.06538	2.7
119.04945	0.8
123.04415	2.4
124.07587	1.0
125.05994	1.5
130.06573	3.4
130.08650	1.6
132.08107	0.9
136.07607	2.1
142.06491	2.7
144.08087	2.4
146.05966	6.7
147.04428	1.3
147.11273	0.9
154.06485	4.1
156.08134	0.9
158.06038	2.2
159.09227	1.1
164.03459	0.8
167.06020	1.7
168.07997	1.0
169.07603	27.0
170.05974	3.7
170.08292	1.6
171.09198	2.4
176.98859	1.4
181.06165	1.4
181.07584	12.9
182.06015	1.5
182.08414	3.8
183.04117	0.7
183.05495	3.9
183.09239	1.5
184.07664	0.9
185.07118	9.0
187.00095	0.8
188.07103	2.8
195.09192	7.2
197.07101	83.2
198.07903	10.7
199.08701	2.1
204.13840	2.9
207.09233	1.7
209.07088	10.1
211.08711	7.3
213.06595	1.4
215.08179	3.2
222.07838	1.3
223.08626	9.8
225.06581	3.8
225.10307	0.9
226.07381	1.1
227.08176	11.6
235.08765	1.3
238.07283	0.7
241.09628	1.0
242.08189	0.9
243.07645	27.6
249.16017	1.0
251.08200	11.2
252.08885	1.2
253.09692	2.2
257.09280	1.7
269.09204	16.2
269.12106	0.8
271.07162	1.1
273.08722	24.6
287.10544	1.0
297.08746	14.3
315.09738	86.5
316.09860	0.7
333.10794	100.0
333.15103	44.9
334.11139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	0.6
56.05032	6.8
57.05783	1.7
59.22688	0.7
60.05606	2.9
69.04535	1.5
70.06585	4.7
70.65337	1.7
77.32074	0.7
79.05447	0.7
81.07003	1.6
83.06064	3.3
84.04480	0.8
84.08109	1.2
86.09695	6.0
91.05431	2.3
95.04922	1.2
95.06028	2.5
95.08566	0.7
96.04431	0.6
97.07626	1.0
98.07178	1.0
98.98458	5.3
103.05451	0.8
105.03343	0.9
106.06538	1.1
107.08534	0.9
111.05560	9.5
112.08673	1.2
113.07135	4.5
113.72673	0.7
114.26380	0.8
115.08694	0.9
117.05670	0.9
120.04452	6.9
120.08062	1.3
121.02811	0.8
123.04443	0.6
123.05522	2.3
126.06635	6.3
127.07451	0.8
130.06473	2.4
132.03496	1.1
132.04446	19.6
134.06024	5.7
137.04655	2.5
138.96223	0.8
140.08109	2.7
144.04337	1.1
148.11159	2.5
149.11534	1.8
151.06149	10.3
158.05966	1.8
162.05417	2.7
164.07059	9.0
175.08594	1.6
176.07024	1.0
179.08133	1.1
188.06885	0.9
190.08678	1.5
194.11780	8.4
195.12100	10.4
202.09752	9.6
203.08134	1.0
215.03368	1.7
216.11244	1.0
217.09744	7.1
230.09302	6.5
232.10812	2.4
233.09169	0.8
242.09171	3.1
245.09229	29.4
247.11005	0.9
248.13907	1.5
255.08716	0.9
257.10345	6.6
259.11902	50.5
260.10303	2.2
274.11966	2.0
284.11368	7.9
287.10107	0.9
291.14499	100.0
292.14569	1.4
301.11380	4.1
302.12463	55.4
305.07892	0.9
316.14017	4.2
333.07880	7.0
333.16687	88.5
333.22757	2.6
334.17014	1.5
354.75018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.3
56.05046	6.1
57.03439	1.0
57.07080	3.0
60.04529	100.0
67.05513	4.3
69.07081	4.1
69.41596	3.6
69.42004	1.6
70.06596	0.6
71.05011	0.7
71.08638	2.7
72.04517	1.8
74.06087	2.4
74.18964	0.6
79.05503	3.5
81.07061	4.4
82.06565	0.8
83.04992	0.9
83.08617	2.9
85.10181	1.1
86.06060	1.1
90.05559	1.3
91.05470	0.6
93.07055	2.7
95.08613	4.1
96.08147	1.0
97.10192	1.7
98.21585	1.2
98.98473	13.9
105.07027	1.3
107.08595	0.9
109.10158	1.3
119.08551	0.7
119.69238	0.6
121.10176	1.2
133.10173	0.7
135.11713	0.6
162.93216	0.6
163.16158	0.6
171.87386	0.7
176.98882	1.2
181.04976	0.6
249.35126	0.6
266.28482	1.7
268.29803	0.8
270.27954	1.0
278.28455	2.0
284.29465	2.7
296.26437	0.4
296.29462	17.6
314.30554	21.2
332.19040	2.0
332.31595	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	333.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	3.6
63.25714	1.0
65.80239	1.0
69.71828	5.8
70.87701	0.8
75.94733	0.8
80.11102	0.9
84.08153	1.7
98.97591	1.3
98.98464	2.1
101.00880	1.7
101.48926	1.0
107.57549	1.0
119.01928	2.6
134.99850	1.5
158.99922	1.9
162.99382	1.7
164.98856	1.9
173.99573	1.3
175.00177	1.6
177.00966	4.5
182.99907	8.2
188.99417	1.1
201.00957	95.9
202.01230	2.2
216.98856	1.1
218.98734	14.7
219.02008	100.0
220.02211	2.2
222.98416	1.2
224.02518	1.2
229.00458	3.0
230.98909	1.3
231.97452	1.2
236.99583	2.2
239.99802	2.0
243.01999	1.2
260.98572	1.5
263.00940	2.7
268.95987	1.1
272.99524	2.8
279.95578	1.1
283.46448	1.3
288.30182	1.1
288.97888	2.4
289.48148	1.2
291.00461	47.5
297.98563	5.1
298.48679	2.5
306.99188	4.2
307.49210	1.5
308.98059	3.2
309.01511	35.6
309.29404	1.2
309.62680	2.6
315.00128	1.9
315.29742	1.7
315.96173	1.5
317.63168	1.2
323.97403	1.3
333.01480	9.9
351.02725	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ile Ser Leu
Peak:m/z	Relative Intensity
55.05543	0.4
59.92953	0.5
60.04528	16.1
61.02937	0.6
67.88712	0.5
68.05025	0.5
68.51157	0.4
69.07053	0.7
70.06590	0.6
70.74564	1.1
70.74898	0.9
71.72196	0.4
73.20115	0.5
74.08309	0.4
79.48643	0.4
82.46496	0.5
84.04488	0.5
84.08144	0.7
85.02932	0.5
86.09708	100.0
87.05589	1.1
95.08609	0.6
97.11009	0.5
98.98469	4.4
109.10171	0.6
110.09698	0.8
113.09628	0.6
117.36285	0.4
120.08080	0.7
124.07493	0.4
125.10768	2.4
127.12339	0.8
127.25716	0.5
128.10733	1.5
132.10204	17.1
134.17775	0.4
153.12820	0.8
155.11780	3.8
171.13701	0.5
173.12869	23.8
183.11356	1.9
200.87775	0.4
201.12347	24.0
219.13405	26.9
225.47527	0.5
229.11789	0.8
296.00485	0.6
296.19592	0.6
301.12061	1.1
314.14465	0.6
314.20804	2.2
332.07303	3.6
332.18655	0.9
332.22107	1.1
333.18683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
54.37798	2.9
55.01868	4.1
55.05514	27.0
56.05028	9.2
57.07077	36.1
60.04520	12.3
65.03949	3.2
67.05503	53.2
68.05018	4.8
69.03420	4.3
69.07070	36.1
70.06588	4.6
71.04992	33.4
71.08634	40.3
72.04528	3.4
79.05503	31.7
80.05015	9.3
81.03417	3.6
81.07057	74.8
82.06579	24.9
82.74877	2.7
83.04976	6.6
83.08623	28.4
84.08141	2.4
85.06556	5.9
85.10178	19.7
86.09738	3.2
91.05481	27.8
93.07043	29.3
94.06580	16.4
94.98376	2.2
95.04985	14.2
95.08609	71.5
96.08120	17.7
97.06532	10.0
97.10160	14.2
98.98470	73.6
99.21980	3.2
100.98891	3.5
105.07038	9.4
107.08588	13.5
108.08131	11.9
109.06509	7.4
109.10150	25.0
110.06089	4.7
111.08085	10.1
111.11691	6.6
112.11253	3.1
117.06995	4.0
119.08598	12.5
120.08102	4.1
121.06536	3.4
121.10147	11.5
123.08043	3.5
123.11697	11.5
125.09654	4.0
131.08545	2.9
133.10159	8.6
135.11719	8.1
137.05984	4.7
137.09628	6.2
137.13266	5.6
138.63681	2.8
139.11197	2.9
144.88147	2.5
145.10115	3.1
147.11688	2.7
149.13271	4.9
150.75352	2.6
151.11241	4.5
155.14293	21.5
161.13306	3.7
162.96609	2.4
165.16248	5.7
167.07077	5.1
169.15877	3.3
176.98888	6.4
189.16351	23.6
197.19009	100.0
206.18886	2.6
207.17519	12.8
208.84210	2.6
212.23090	3.1
218.84018	2.5
225.18501	55.5
249.22182	7.7
260.23755	3.2
261.22107	6.7
266.24786	4.5
267.23334	2.9
278.24829	10.5
279.23203	11.1
284.25769	3.4
296.25870	18.3
297.87973	2.7
314.23166	5.6
314.26880	83.6
332.12015	15.3
332.22760	2.7
332.27930	13.6
333.12735	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.90766	0.7
57.03445	1.6
61.02916	3.1
65.03914	1.1
65.48655	0.8
67.05501	2.9
69.03436	6.2
70.02978	0.8
70.06569	1.0
70.41010	2.8
73.02885	2.3
77.55417	0.8
79.05483	1.8
81.03410	2.3
81.07037	1.3
85.02913	6.9
87.04468	2.0
94.06541	0.8
94.78142	0.8
96.08138	1.3
97.02895	4.2
106.06556	6.2
108.08118	100.0
109.02877	1.3
109.08495	1.4
110.06090	0.9
122.06178	0.8
123.04417	1.0
123.06796	4.5
124.07587	19.4
127.03896	1.2
130.17177	0.9
134.06012	12.3
136.07587	14.3
150.05527	1.1
152.07069	79.9
154.08627	2.0
170.08104	11.3
170.09361	1.1
203.37546	1.0
305.05035	0.8
314.12323	42.0
315.12885	1.2
332.10001	2.8
332.13409	55.6
333.07883	2.2
333.11563	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	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26992	0.3
59.80382	0.3
60.04524	14.9
69.03401	0.5
69.07068	1.0
69.47913	0.9
69.48334	1.2
70.02953	0.5
70.06600	1.1
84.08150	0.7
85.02901	1.4
86.09706	100.0
87.05588	1.0
87.10029	0.4
91.05428	0.3
95.08591	0.5
97.02802	0.3
98.98470	4.9
109.02853	0.4
109.10197	0.5
110.06124	0.3
110.09691	0.3
113.09657	0.8
117.94015	0.3
120.08125	0.4
125.10777	2.1
127.12283	0.5
128.10730	2.0
132.10210	16.2
135.11699	0.3
137.05957	0.3
138.09138	0.6
153.12782	1.0
155.11809	2.7
173.12866	22.9
183.11313	1.7
191.05385	0.4
194.11800	0.4
201.12344	22.4
219.13408	24.6
229.11877	0.4
301.11850	1.2
303.07184	0.9
314.20761	1.7
327.34534	0.4
332.07376	5.4
332.19086	1.1
332.22400	0.5
333.15158	0.5
333.18661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96997	2.8
53.03940	3.5
57.03439	5.6
61.02914	9.0
69.03433	20.8
69.07063	3.6
70.77889	7.3
71.04978	3.9
72.08138	4.2
73.02901	4.0
73.28839	2.9
81.03409	9.7
81.07030	3.1
84.04509	4.3
85.02908	100.0
86.09708	19.3
86.92088	2.8
87.04456	3.0
91.03949	5.7
97.02902	31.7
98.98460	25.8
99.04456	6.2
99.28752	2.7
107.04968	28.4
109.02867	8.8
123.05572	4.4
124.07565	6.1
127.03905	26.1
129.10191	3.6
136.06165	6.1
145.04967	38.3
152.07060	6.1
153.05450	12.7
163.06003	4.5
170.08061	15.1
177.05449	4.4
179.24802	2.7
180.08687	12.2
185.16434	3.8
199.18063	4.1
209.76950	3.0
267.03101	2.8
326.72467	2.6
332.13486	4.8
332.17642	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	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03939	1.0
57.03415	1.1
61.02920	2.3
65.03940	0.8
67.05494	2.2
68.53299	0.6
69.03423	6.1
69.48431	4.5
69.48750	0.6
70.06602	3.8
71.04987	1.1
73.02902	1.9
79.05464	1.5
81.03407	2.4
81.07056	1.1
84.04503	1.0
84.08146	1.3
85.02908	7.0
87.04478	1.5
91.03920	0.8
92.05004	1.0
96.08126	1.1
97.02888	2.8
100.02211	0.9
106.06567	6.1
108.08116	100.0
109.02937	1.0
110.06009	0.7
114.02701	0.7
116.07108	1.2
123.04397	0.7
123.05583	2.2
123.06806	4.3
124.07581	18.0
125.02415	0.7
127.03930	1.9
134.06012	13.0
136.06136	1.4
136.07571	15.5
137.82259	0.6
152.07063	87.1
153.07390	0.8
154.05016	1.8
154.08611	1.5
170.08116	17.9
190.90060	0.7
220.01561	0.6
314.12314	42.1
332.13382	60.5
333.13644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.1
56.80742	2.2
57.03442	3.4
57.07076	79.0
57.84462	2.0
67.05502	21.8
69.07066	13.8
69.55803	4.8
69.56197	15.8
70.06584	6.1
71.06931	2.3
71.08625	58.5
79.05475	2.6
80.21786	2.3
81.07058	26.3
83.08624	19.1
85.10183	28.8
85.81985	2.4
88.07624	10.8
89.07960	3.0
91.05458	3.9
95.04824	2.5
95.08065	4.2
95.08610	47.8
97.10172	9.0
98.98469	100.0
106.08644	3.7
109.10162	24.2
114.95794	2.1
122.53545	2.5
123.11683	10.7
137.13251	2.9
159.11606	2.9
174.99239	3.1
176.98961	6.3
239.23679	14.0
257.24786	6.4
313.27396	38.6
313.33026	4.1
331.15509	2.6
331.33990	65.0
353.42368	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.7
57.03421	5.9
57.07075	100.0
58.07428	2.2
67.05504	25.3
69.07061	15.1
69.58453	10.4
70.06578	4.6
71.08632	62.0
75.04464	2.6
79.05505	2.7
81.07052	30.9
83.08620	25.1
85.10183	33.0
88.07626	9.6
89.07957	2.1
93.06995	2.8
95.08604	45.8
97.10190	13.7
98.21551	3.6
98.98473	57.2
99.11725	3.6
106.08663	4.3
109.10155	24.1
109.25591	2.1
111.11711	4.3
123.11715	9.6
125.13307	2.3
137.13312	4.6
151.14789	3.1
151.66135	2.0
174.99249	3.3
176.98917	4.8
177.98007	1.9
183.76172	1.9
221.22702	2.4
239.23682	15.9
252.99767	1.9
255.32507	2.0
257.24725	5.8
294.50104	1.8
313.27396	50.7
313.32855	4.3
331.33984	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.1
67.05486	1.9
69.26517	13.2
79.05487	3.7
81.07042	2.6
91.05483	33.6
94.04175	4.3
95.04942	6.4
98.21517	2.9
98.98465	35.3
103.05475	4.4
105.07016	3.7
107.04936	5.0
109.06510	5.6
115.05479	1.7
117.03374	1.6
117.07014	1.7
119.04951	20.0
120.05603	1.4
121.02850	1.5
121.06503	7.8
122.03647	8.7
128.06212	5.4
129.07007	21.3
131.04938	6.3
133.06528	2.2
135.08049	4.2
136.05191	5.7
137.05978	84.8
143.04884	2.3
145.06441	3.5
146.03659	2.0
147.04422	1.9
149.05983	13.0
151.03946	3.1
151.07544	100.0
152.06201	5.7
154.18216	1.5
157.06511	11.7
161.05963	14.2
161.09654	4.4
163.07549	22.9
165.07001	15.0
165.09160	5.1
166.07742	2.8
167.07219	3.1
167.08534	17.5
169.06450	3.2
174.06781	8.7
175.07530	4.3
176.98969	2.8
177.09134	1.6
178.07808	6.3
179.08504	3.3
181.06467	4.0
182.07269	3.7
183.08084	1.6
189.09123	33.4
192.09343	1.9
193.06493	9.1
193.10106	7.1
194.07278	2.3
195.08041	28.4
197.06012	6.4
199.72256	1.8
202.07755	2.6
203.08629	3.3
206.07204	2.3
207.08192	2.1
207.10124	4.2
209.05942	3.0
209.09528	4.5
210.06773	10.7
211.07561	4.6
212.08302	6.0
219.07994	2.4
220.08905	2.4
221.06139	8.8
221.09569	14.1
223.07578	14.6
224.08263	5.4
225.05502	2.7
225.09074	12.6
227.10649	33.4
234.06856	2.2
237.05460	2.5
237.08948	3.6
238.06174	6.4
238.09737	1.9
239.06900	2.0
240.07729	4.1
241.08510	3.5
241.12141	2.1
249.09053	6.4
251.07115	1.6
252.07834	3.6
253.08601	17.0
253.12192	16.8
255.07387	2.8
255.10150	33.9
266.09354	3.4
267.10162	6.6
269.08167	6.2
269.11700	2.9
270.08780	1.7
272.10446	3.6
281.11646	6.0
285.08630	2.3
285.11295	21.9
287.12802	41.2
313.08090	3.3
313.14233	11.9
315.04855	2.9
331.08112	4.4
331.15463	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
55.05523	1.4
65.03911	1.3
66.19808	1.1
67.05498	1.3
69.03397	1.4
70.75514	3.5
79.05493	4.1
81.07046	2.9
91.05481	31.2
94.04177	3.5
95.04971	6.7
98.09716	1.3
98.98463	49.4
103.05455	4.9
105.07023	4.2
107.04926	5.9
109.06512	5.2
111.04460	1.3
115.05400	2.4
117.07040	1.7
119.04947	19.6
121.06505	6.8
122.03658	8.3
123.04427	1.7
123.08073	1.2
128.06200	4.1
129.06998	16.5
129.33844	1.1
131.04956	6.0
131.08586	2.0
133.06490	2.4
135.08043	5.6
136.05144	3.3
137.05977	75.1
143.04919	1.7
145.06465	3.0
146.03561	2.3
146.07239	2.2
147.08124	1.1
147.95972	1.4
148.05159	1.3
149.05986	12.9
150.06636	1.3
151.03918	3.6
151.07542	100.0
152.06177	4.5
153.06961	1.8
154.07768	1.4
157.06494	10.8
161.05975	12.0
161.09625	3.1
163.07542	23.6
165.07014	14.9
165.09120	5.2
166.07797	2.3
167.08545	17.5
169.06480	2.0
172.21965	1.3
174.06787	7.6
175.07561	5.3
176.98904	4.7
177.06987	1.5
177.09093	3.4
178.07751	6.9
179.08521	2.4
181.05029	1.4
181.06490	4.4
181.10233	1.6
182.07277	4.5
184.08839	2.2
189.09102	34.5
191.08731	2.1
192.09447	2.0
193.06380	7.0
193.08691	1.3
193.10136	9.1
194.07269	2.8
195.05463	2.3
195.06148	1.5
195.08069	25.7
196.08823	2.2
197.05878	5.9
197.09657	2.1
199.07585	1.7
202.07820	1.7
203.08485	2.9
205.06461	1.5
206.07147	1.4
207.08267	1.6
207.10176	5.0
209.05872	2.4
209.09641	4.5
210.06694	9.6
211.07541	5.0
212.08363	6.4
219.08124	2.1
221.06013	8.2
221.09589	10.7
223.07538	13.7
224.08290	4.6
225.05473	2.1
225.09073	8.8
227.07155	2.4
227.10654	36.1
234.06812	1.6
237.05510	1.5
237.08945	3.3
238.06247	6.1
238.09831	1.5
239.07014	2.6
240.07874	2.5
241.08647	2.3
241.12257	1.7
249.09145	6.0
252.07866	2.0
253.08594	15.3
253.12231	14.6
255.06851	1.8
255.10158	31.3
266.09131	1.9
267.10083	6.3
269.08105	5.3
269.11444	1.7
270.08856	1.6
271.07080	1.5
272.10455	3.4
281.11633	4.2
285.08533	1.7
285.11258	17.3
287.12769	43.6
299.12619	1.8
313.08096	4.6
313.14374	12.6
331.11740	4.3
331.15378	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	331.1543
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03929	1.3
55.01852	1.0
55.05508	1.7
57.03425	1.0
65.03936	1.6
67.05501	2.7
69.07059	1.4
70.47773	3.0
70.54829	1.0
71.05002	1.0
79.05485	2.8
81.07063	3.7
85.02911	1.6
86.09710	1.1
91.05486	20.1
93.07047	2.2
94.04169	2.6
95.04963	4.3
95.08617	1.6
98.10654	0.9
98.98470	100.0
100.11242	1.8
100.98910	2.2
103.05462	3.4
105.07023	4.3
107.04954	4.3
109.02845	1.1
109.06516	3.6
115.05452	1.4
116.99535	2.1
117.06998	1.4
119.04945	14.8
120.08105	1.4
121.06500	3.6
121.10171	1.6
122.03650	5.5
122.74733	0.9
123.08064	1.8
128.06239	3.5
129.07008	10.5
130.06506	1.8
131.04935	4.2
131.08586	1.5
133.02869	1.0
133.06448	1.2
135.08054	3.5
135.11746	1.2
136.05173	3.0
137.05977	50.8
140.04921	2.2
143.04951	1.7
144.05873	1.1
144.08096	1.8
145.06473	1.9
147.04337	1.0
149.05997	8.6
151.03943	3.3
151.07545	59.5
152.06241	2.6
153.07007	1.4
155.06062	3.9
156.08099	1.3
157.06485	7.9
161.05998	8.9
161.09636	2.1
163.03780	1.1
163.07532	13.4
165.05685	1.6
165.06967	7.8
165.09122	3.6
166.07787	2.3
167.05983	1.7
167.07240	1.4
167.08533	10.7
168.06834	1.3
169.06400	1.6
169.07642	5.6
174.06778	4.2
174.99237	3.5
175.07561	4.2
176.98941	7.0
177.09143	2.7
178.07759	4.5
179.06041	3.4
179.08496	2.1
181.06468	2.8
181.10156	1.3
182.07291	2.5
183.05573	3.8
183.08058	1.7
184.07495	1.3
185.07106	2.6
189.07349	1.9
189.09105	22.2
189.10767	1.5
190.07761	1.1
193.06328	2.4
193.07817	2.4
193.10156	4.2
194.09778	1.1
195.02901	1.6
195.05539	10.5
195.08075	14.4
196.06364	2.6
196.11316	2.2
197.05855	3.3
197.07185	4.5
197.09677	1.3
199.07542	1.0
203.08585	1.5
206.07185	1.1
207.08263	1.2
207.10245	3.3
208.06300	1.2
209.09644	2.9
210.06651	7.0
210.12840	1.4
211.05119	1.5
211.07542	4.1
212.08318	3.6
213.06700	6.7
219.08093	1.7
221.05603	2.0
221.07216	3.7
221.09274	6.8
222.12708	1.4
223.05310	1.6
223.07553	6.5
224.08403	1.8
225.06592	7.6
225.09142	5.7
227.07120	1.7
227.10675	16.5
229.06078	4.4
237.09158	2.5
238.06328	3.1
238.09769	1.2
239.08060	4.6
239.10442	1.5
239.15404	1.2
240.07935	1.7
241.08615	1.6
249.06732	1.8
249.09126	4.8
252.17580	1.7
253.06219	1.8
253.08530	9.5
253.12184	8.2
255.06465	1.2
255.07339	1.3
255.10178	17.8
267.08011	4.3
267.09879	4.3
269.08182	3.2
269.11545	1.0
270.08902	1.1
271.07120	9.7
271.09659	1.6
272.10458	2.9
277.06161	2.4
281.11752	3.6
285.08649	13.8
285.11295	9.8
287.12781	26.9
295.07089	8.0
296.20166	2.9
299.09140	1.1
301.14270	1.2
303.15543	1.0
313.08212	35.5
313.14084	8.6
313.22751	1.8
314.21112	4.1
331.09039	21.0
331.15509	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04623	0.6
67.05336	0.6
67.05642	0.8
69.25878	4.5
69.26291	1.5
81.07220	1.3
84.44395	0.6
91.05070	1.6
91.05688	4.0
95.04546	0.6
95.05121	1.2
95.08788	0.8
98.20726	1.3
98.97956	7.6
98.98680	34.5
99.71887	0.8
100.99074	1.3
105.07188	1.1
107.04500	0.7
107.05134	1.5
117.07166	0.6
119.05160	2.2
119.08820	0.7
121.06694	1.1
122.03811	1.1
123.04591	0.9
124.80101	0.6
129.07242	2.5
131.05119	1.1
134.91469	0.6
135.08215	1.0
136.05394	1.0
137.06213	11.1
140.05191	3.4
144.08217	0.9
145.06647	1.0
149.06200	2.1
151.04076	1.0
151.07776	14.1
152.06366	1.2
153.07153	0.7
154.06738	2.1
155.06282	9.8
156.08269	1.0
157.06709	2.1
158.09859	0.9
161.06177	2.4
161.09793	0.7
163.07797	3.2
165.07236	1.9
166.06679	1.0
167.06262	4.3
167.07550	0.9
167.08821	2.0
168.07031	2.2
169.07620	14.5
170.06311	1.8
174.06984	1.0
174.99380	1.3
176.98930	3.0
178.07898	0.9
179.06267	8.9
180.06992	1.5
181.07678	3.1
182.06194	2.0
182.08571	1.2
183.05544	10.1
183.09375	1.4
184.07730	0.8
185.07133	6.4
189.09100	4.7
192.06990	1.2
193.07692	8.1
193.10378	1.5
194.06201	1.8
195.02972	1.1
195.05550	28.8
195.08195	2.8
196.06319	5.3
197.07162	9.4
198.05434	3.3
199.05298	1.0
201.06801	1.1
207.05589	3.5
207.10272	0.8
208.06551	2.3
209.07184	3.3
210.08234	1.2
211.05043	4.4
211.08890	2.9
213.06595	12.8
221.07216	14.6
221.09558	1.6
223.05228	3.6
223.07623	1.6
225.06653	15.5
225.08908	1.2
227.08720	1.1
227.10631	4.6
229.06064	9.2
237.06664	3.5
238.07468	2.6
239.04654	1.3
239.08203	11.9
239.10364	1.0
241.06200	1.5
243.07869	1.6
249.06744	5.1
249.09123	1.3
253.06203	5.5
253.08736	1.9
253.12440	1.4
255.07837	1.0
255.10143	4.4
257.05695	1.9
265.06232	2.0
266.07077	1.0
267.07690	11.7
267.10260	1.3
269.05630	2.3
271.07126	30.4
277.06094	7.2
281.11780	0.8
282.06406	0.8
283.07227	1.0
284.10309	0.9
285.05426	1.5
285.06021	0.6
285.08673	43.0
287.12753	6.5
295.07126	20.3
313.08191	100.0
313.14246	3.6
314.08493	1.0
331.09186	57.2
332.09537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	Dillenetin
Peak:m/z	Relative Intensity
52.70319	0.4
55.05508	0.7
60.04513	0.7
67.05517	0.6
70.06581	1.1
70.40725	0.5
71.08844	1.1
79.05489	1.1
81.03387	0.5
81.07051	1.7
83.08618	0.5
84.08139	0.9
85.06549	0.6
91.05473	2.0
92.27778	0.5
93.07040	1.4
95.04925	0.6
95.08617	1.4
98.98466	100.0
100.98862	2.7
103.05451	0.5
105.07008	1.1
107.04928	0.6
107.08617	0.8
109.10172	1.2
111.04379	0.5
116.99507	1.6
117.06984	0.7
119.04955	1.1
119.08573	0.8
121.06500	0.5
123.04420	1.2
125.09718	0.5
129.06952	0.7
133.10066	0.6
135.08099	0.6
136.28632	0.4
137.05966	2.6
137.09761	0.5
137.68642	0.4
141.06976	0.5
145.10143	0.9
151.03928	0.6
151.07535	1.6
152.06281	0.9
153.01857	1.2
153.06961	1.2
155.08551	0.6
157.06493	1.3
159.11711	0.6
163.03862	0.6
165.05542	0.9
165.07021	2.1
167.07104	1.1
167.08418	0.6
168.05714	0.9
169.06456	0.8
174.99222	3.6
176.98923	7.4
178.02602	0.6
179.07082	1.0
181.06477	1.6
183.08069	1.0
183.21535	0.5
185.05905	1.0
195.08026	0.8
196.05092	0.5
197.05893	0.7
198.06769	0.5
209.05960	0.8
210.06804	1.3
211.07573	2.7
212.08228	0.5
213.05511	1.6
214.06262	1.2
223.07431	0.6
225.06775	0.5
225.08957	0.9
226.06261	0.5
227.07053	0.6
227.10640	0.7
230.05730	0.5
238.06255	0.7
239.07060	1.1
241.05066	1.3
242.05672	3.8
252.99794	0.9
254.99423	0.6
255.06554	0.9
255.10281	0.6
257.08112	0.8
258.05261	4.3
270.05219	9.8
270.07990	0.9
271.07074	0.8
271.09851	0.9
273.04010	2.0
273.07462	0.6
277.20535	0.5
285.04022	1.1
285.08624	1.1
286.04791	1.7
287.05481	5.7
295.07245	0.9
299.05673	1.1
299.09250	1.4
301.03482	2.7
302.04169	3.1
313.03424	2.8
313.08170	2.1
313.14713	0.7
315.04980	42.6
316.05783	3.8
316.08945	0.7
331.08167	78.7
331.11816	13.4
332.08484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97581	0.3
55.05512	7.2
56.05038	0.7
57.05816	0.8
57.07090	0.4
58.99595	0.4
59.66612	0.3
62.08802	0.4
68.23299	0.4
68.99793	0.7
69.07059	0.9
69.47985	2.6
70.06587	1.8
70.89566	0.4
72.08155	100.0
73.08481	0.4
79.05490	0.6
81.07059	0.9
84.08145	1.5
85.02901	1.1
86.00669	0.4
86.09703	6.7
88.04004	1.0
91.05481	1.3
93.07057	0.4
94.42870	0.3
95.08582	0.4
98.98466	22.1
107.04953	0.5
107.08587	0.7
109.02895	0.5
119.04944	1.1
120.08115	0.6
121.02863	0.9
121.10139	0.8
123.04462	1.8
124.04785	1.0
129.10260	0.6
132.10214	1.9
133.10130	0.6
137.02403	1.0
137.05986	1.1
138.02753	0.5
143.15369	0.5
144.13545	0.4
148.04678	0.9
149.02338	1.1
149.09569	0.4
150.02673	0.7
151.08690	0.4
165.01874	0.6
167.03426	1.0
168.03703	0.8
171.14925	35.3
174.99246	0.6
175.99586	0.5
176.98959	0.9
177.01878	0.4
177.05519	2.4
178.05809	3.0
185.16524	1.5
191.14420	0.6
195.02859	1.0
196.03262	0.7
199.14424	16.2
215.77873	0.4
231.17047	4.2
248.14693	0.5
256.07016	0.7
257.04028	0.4
266.15652	1.1
272.06131	1.0
273.07016	0.7
284.06317	2.7
284.16803	4.1
287.05127	0.9
300.05826	3.8
301.06631	4.0
302.07230	0.7
303.66379	0.6
312.05850	3.1
312.16251	1.1
330.06894	34.7
330.17303	10.8
331.07132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02846	1.0
53.03941	1.5
55.01869	3.2
55.05517	6.6
58.99584	2.8
60.04228	2.3
60.04528	46.1
61.96755	1.0
63.03055	1.0
65.03928	2.4
65.41222	1.1
67.05509	10.6
69.03429	3.2
69.07067	9.1
70.02908	1.5
70.06590	3.8
71.08630	2.0
71.49146	1.2
71.49556	1.2
72.04518	1.5
72.08166	1.9
75.13914	1.0
76.02216	4.1
77.00599	1.4
79.05495	15.2
81.03416	1.9
81.07057	77.5
83.05009	7.8
83.08636	2.6
83.63974	1.4
84.08147	3.0
85.06573	1.1
86.00664	1.2
86.09700	5.2
88.02222	2.1
88.04016	1.0
91.05476	10.6
93.07040	15.8
95.04984	3.1
95.08618	12.5
96.88346	1.1
97.06534	3.0
97.10152	1.6
98.98469	100.0
99.08097	34.0
99.08630	0.7
99.08746	1.2
100.98879	2.2
101.00642	1.5
103.05462	1.7
105.00054	1.5
105.07040	15.6
107.05009	1.3
107.08592	25.6
109.06498	5.0
109.10164	8.0
111.02686	1.6
111.08064	2.8
115.05410	1.2
116.01633	1.3
116.07069	1.5
116.99465	2.4
117.07012	4.3
119.08582	13.3
119.88329	1.2
120.08138	1.1
121.06494	2.7
121.10153	12.7
122.02724	25.1
123.04430	2.4
123.08057	5.1
123.11715	2.6
125.04255	2.2
126.03772	1.8
129.07005	2.0
129.85793	1.1
131.04947	1.4
131.08571	18.4
132.01137	2.1
132.99562	1.3
133.10141	14.0
135.08057	10.1
135.11696	9.2
137.02362	1.3
137.05956	3.9
137.94618	1.1
143.05177	1.6
143.08594	2.6
145.10149	8.7
147.11678	10.7
149.09615	4.4
149.13322	2.7
149.53380	1.1
151.07547	3.6
151.11186	1.1
158.10941	3.0
161.13298	5.8
163.14832	5.0
164.07959	1.7
167.05293	3.9
168.03685	1.6
171.11748	1.4
173.13263	32.0
174.14006	1.5
174.99223	5.0
175.14857	2.5
176.98946	4.7
179.05968	1.4
179.14246	1.6
183.05586	1.3
191.14313	28.1
193.07593	1.2
195.05547	2.7
209.11720	1.1
209.15378	3.0
213.06506	2.0
223.11520	60.0
225.06618	1.9
241.12570	18.7
266.15833	1.8
267.07813	1.4
271.07053	3.5
276.23157	1.7
284.06427	3.5
284.16620	1.2
285.08713	7.0
287.12854	2.3
294.15295	4.2
294.24286	1.7
295.07153	1.8
300.05945	2.1
301.06616	4.2
312.05759	2.9
312.16290	37.3
312.25482	5.4
313.08203	13.9
330.06891	35.1
330.10876	2.4
330.14078	1.6
330.17426	18.1
330.26376	29.8
331.08994	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	329.065
Annotation	Dalspinin
Peak:m/z	Relative Intensity
50.63157	0.1
50.97164	0.1
53.03922	0.2
55.01860	0.1
55.62917	0.1
57.03418	0.2
60.09904	0.1
65.03939	1.1
65.04265	0.1
67.01845	0.3
67.77930	0.1
68.99444	0.1
68.99783	0.8
69.48410	0.4
69.48814	0.2
80.29879	0.1
81.03416	1.4
83.01334	0.1
85.02435	0.1
85.02897	0.9
89.03899	0.1
93.02918	0.1
93.03400	1.0
95.04955	0.2
96.88444	0.1
97.02865	0.1
98.21555	0.1
98.67849	0.1
98.98468	2.5
99.04486	0.1
105.03371	0.3
106.81753	0.1
107.01277	0.3
107.04944	0.1
109.02876	1.2
110.03644	0.2
111.00755	0.1
111.04414	0.2
117.03359	0.2
121.02862	2.8
123.04394	0.2
124.01527	0.1
125.02367	0.4
127.03891	0.2
133.02852	0.5
134.03645	0.4
135.00763	0.1
135.04413	1.7
136.05176	0.1
137.02339	3.6
137.03391	0.2
138.03105	0.6
139.03894	0.1
141.01768	0.1
147.04408	0.2
149.02335	5.4
151.03886	0.1
152.01012	0.1
153.01846	0.9
153.06931	0.2
156.14944	0.1
158.92390	0.1
161.02338	2.1
163.03879	0.3
164.38841	0.1
165.01823	1.3
165.03125	0.1
166.02635	0.5
167.03403	5.4
168.03867	0.1
169.04973	0.1
169.06352	0.1
171.04370	0.1
174.99188	0.2
175.03793	0.2
177.01826	3.2
177.05418	0.1
179.03401	0.5
181.06413	0.4
183.02838	0.2
184.03645	0.2
184.05267	0.1
189.05476	0.1
195.02901	3.1
197.06120	0.2
203.03395	0.2
209.05949	0.3
213.03796	0.1
213.05542	0.1
215.07002	0.1
218.05707	0.3
226.06174	0.1
227.07068	0.5
229.04944	0.4
231.06454	0.2
237.05421	0.3
243.06480	0.5
244.07248	0.4
245.04457	1.7
254.05742	0.2
255.06509	2.2
257.04578	0.1
257.08038	0.2
258.05261	1.1
259.06158	0.1
263.05536	0.2
265.04987	0.3
269.04440	0.2
271.06006	1.7
272.06796	2.0
273.07532	0.2
282.05194	0.2
283.05997	11.8
284.06433	0.3
285.03918	0.5
285.07053	0.1
286.04706	3.9
287.05301	0.2
299.05493	9.8
300.06271	14.3
301.07019	1.4
311.05487	8.2
329.06528	100.0
330.06848	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	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01874	0.6
55.05510	4.2
57.07065	1.4
67.05502	7.1
69.07069	5.1
69.67055	3.2
77.01600	0.5
78.14272	0.5
79.05491	3.7
81.07059	17.3
81.07536	0.9
83.08617	2.3
85.06548	5.5
86.09715	0.6
91.05466	3.2
93.07045	6.8
95.04987	0.9
95.07994	0.7
95.08613	12.7
96.52535	0.6
97.06528	0.9
97.10174	1.8
98.98470	100.0
99.08111	4.3
103.05474	2.1
105.07013	2.7
107.04957	0.7
107.08580	4.8
109.06523	0.6
109.10166	6.7
111.08070	1.1
111.11751	0.9
115.05439	0.7
116.99520	1.3
117.07008	0.8
119.04875	0.9
119.08579	1.4
121.06514	5.0
121.10135	3.4
122.03668	0.7
123.11729	3.3
125.09636	0.7
128.06200	0.8
129.06882	0.5
131.04958	2.6
131.08585	0.6
133.08562	0.5
133.10092	1.1
135.11678	3.2
137.05977	6.9
137.13196	0.7
143.08563	0.7
147.11707	1.2
149.09677	1.2
149.13281	3.3
151.07562	1.0
162.06812	1.1
163.03925	0.8
163.07544	2.1
163.14873	2.0
171.08096	0.9
174.99228	10.0
175.03926	1.2
177.09111	17.5
177.16368	0.8
203.10680	1.6
203.38623	0.6
221.06075	0.7
221.19003	0.7
222.06744	0.7
235.11278	0.7
237.09070	0.8
242.35281	0.5
251.00145	1.7
251.06931	0.6
259.05814	0.5
265.08646	1.9
279.27072	0.7
281.11740	1.6
291.26947	2.0
309.11209	2.4
309.27930	2.1
327.08539	1.1
327.12311	6.7
327.16336	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.7
53.03953	6.6
53.04161	1.4
53.18087	0.8
55.05500	3.2
57.07076	2.0
61.32995	1.0
61.93513	0.9
62.70923	0.9
65.03941	1.0
67.05512	7.7
69.07056	2.7
69.88225	4.7
72.08148	2.2
77.03948	2.1
79.05498	5.9
81.03426	1.1
81.07069	9.1
83.08613	1.6
85.06554	5.3
91.05475	11.1
93.07049	17.3
95.04967	23.2
95.08607	13.8
97.06531	3.8
98.98469	100.0
105.04489	3.1
105.07035	14.9
107.08593	10.0
109.06502	3.8
109.10153	5.1
116.99540	1.3
117.07032	5.0
119.08584	15.6
121.06509	3.4
121.10123	6.6
123.08073	2.8
123.11690	3.3
128.06252	2.1
129.07004	2.7
130.07809	1.5
131.08549	7.2
133.10144	10.1
135.11671	3.1
137.09688	1.5
142.07758	3.1
143.08562	5.3
144.09341	1.4
144.99432	1.1
145.10136	10.8
147.11685	3.7
149.09602	1.1
152.06218	14.0
153.06982	10.1
155.08466	1.6
156.09393	2.5
157.10165	6.8
158.10857	1.4
159.08081	1.4
159.11681	9.1
161.09612	3.4
161.13228	2.2
167.08473	0.9
168.05682	4.6
169.10141	3.0
170.10942	1.0
171.11734	3.9
173.13225	4.7
174.99260	11.9
175.14877	4.8
181.10149	1.9
183.11734	2.5
185.13274	1.3
187.11177	1.7
187.14836	3.2
195.11795	1.2
197.13222	3.3
199.14748	2.3
201.16338	1.7
209.13283	2.5
211.14749	1.8
215.02498	4.3
217.15814	1.9
225.16405	1.4
228.09384	4.8
229.10075	2.2
233.03627	15.2
251.00069	1.6
251.04662	7.9
254.16685	1.2
268.18283	0.9
307.41318	1.0
309.22095	2.0
310.31061	1.5
327.07825	55.7
327.23141	4.3
327.26874	3.1
327.33704	2.0
328.08221	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	326.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
75.02668	1.2
81.07044	1.2
87.69904	0.9
98.21571	1.9
98.98470	46.4
100.56412	1.1
117.65495	1.0
121.01398	2.2
127.03484	0.9
137.00838	8.9
139.02402	1.3
144.80101	1.0
152.99155	1.8
153.00340	25.7
155.01918	26.6
156.99841	3.5
171.01408	100.0
172.99367	2.0
174.99260	5.1
178.03493	1.7
194.03023	3.8
199.04411	0.9
219.08678	2.7
221.10281	9.3
237.09734	27.2
244.11809	1.1
260.11295	3.0
285.17075	2.7
299.62259	1.0
303.18066	46.2
326.37875	1.2
327.18146	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	327.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00560	0.7
69.61320	1.4
69.61729	2.7
70.06606	0.9
73.06551	0.8
87.04461	2.3
89.06036	100.0
92.53766	0.6
94.28052	0.7
98.98473	44.6
107.07127	1.0
116.16652	0.7
133.08611	45.7
151.03992	0.7
163.07846	0.6
163.70291	0.6
168.69986	0.7
174.99216	5.2
177.11223	8.5
180.43050	0.7
182.05106	1.3
195.12312	0.8
208.02946	1.3
229.10135	0.7
239.15057	1.3
292.36087	0.6
327.08655	0.8
327.20081	2.8
340.91409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01874	1.5
55.05494	6.2
57.03426	3.6
59.04995	1.4
61.02913	5.0
64.87987	1.5
67.05505	1.5
69.03432	12.3
69.55093	7.0
69.55500	2.0
70.06578	4.7
71.04977	2.5
72.08138	4.3
73.02921	2.7
81.03400	4.9
83.08615	17.9
85.02909	65.5
86.09703	3.7
87.04466	1.8
91.03947	4.0
91.05431	1.7
95.04959	2.1
97.02311	1.9
97.02895	17.4
98.98468	79.7
99.04462	1.8
100.03986	2.1
101.09659	11.3
107.04932	1.7
108.00480	1.3
109.02872	5.4
115.07565	2.1
116.99500	1.3
119.10700	1.9
120.08133	1.8
124.07507	1.7
127.03917	13.2
129.10167	1.4
135.04399	3.6
136.04742	3.1
136.07547	5.1
137.02344	2.5
138.02655	2.0
145.04967	24.7
147.10196	3.1
147.11566	1.3
163.03868	6.5
163.06046	4.2
164.04225	7.0
164.07077	6.0
165.01828	3.1
166.12392	1.5
171.24895	1.3
174.99210	10.6
181.49895	1.2
191.03378	3.3
192.00145	1.3
192.03778	4.0
203.34883	1.3
239.10957	1.6
298.07925	13.8
299.05377	11.5
326.03986	6.1
326.07391	100.0
326.14023	4.4
327.04675	2.9
327.08163	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03944	1.8
55.01865	1.5
55.05512	23.0
57.03425	3.7
57.07075	24.9
65.03919	1.4
67.05505	41.1
69.03410	1.1
69.07066	33.0
69.31569	8.0
70.06578	2.1
71.04981	3.2
71.08619	3.8
71.33053	1.0
72.86472	0.9
79.05491	17.5
81.03419	2.8
81.07056	100.0
83.04980	2.9
83.08143	1.9
83.08620	19.4
85.06544	36.6
91.05478	17.2
91.13477	1.0
92.05801	3.7
93.07045	20.1
93.07571	1.9
94.72974	0.9
95.04965	3.8
95.08605	85.4
97.06532	5.2
97.10168	15.8
97.96425	1.0
98.21494	1.6
99.08098	29.2
105.07023	8.2
107.04986	1.4
107.08593	17.3
109.06512	2.9
109.10158	49.0
111.08089	6.7
111.11728	6.1
113.09656	1.7
117.03343	1.2
119.08581	6.8
121.10140	12.5
123.08114	1.1
123.11711	24.1
125.09629	4.1
125.13265	1.5
127.11254	0.9
131.08580	2.0
133.02864	4.4
133.10130	7.3
135.11685	10.7
137.05998	3.4
137.09631	1.8
137.12238	1.1
137.13237	5.4
139.11147	3.0
143.08591	1.0
145.10109	2.5
147.11691	4.7
149.09560	0.9
149.13248	9.4
151.11179	4.4
151.14784	5.3
153.12766	2.2
159.11673	1.9
161.13252	5.3
163.03931	3.9
163.07410	1.1
163.11169	1.7
163.14816	5.6
165.12697	2.9
165.16382	1.9
167.14307	1.4
169.12219	1.9
170.15405	2.7
173.13213	1.5
175.14815	3.8
177.12785	1.1
177.16351	3.6
179.14342	2.1
183.97939	1.0
189.16382	3.6
191.08076	2.2
191.17923	4.0
194.07249	1.2
195.17450	1.6
198.14922	3.6
201.05533	1.8
201.16432	1.7
203.17986	1.4
205.06413	1.6
207.17587	1.4
215.17943	2.4
222.06721	1.1
227.11060	1.9
233.05939	1.7
233.19037	1.4
237.09180	1.2
237.18445	1.3
238.14418	1.9
251.19943	2.0
261.25809	1.6
271.24149	1.2
279.26807	2.4
283.05991	3.5
289.25208	5.2
292.07233	1.2
293.08047	2.5
297.07724	1.1
307.09454	1.6
307.26318	19.1
307.29544	1.8
316.46741	1.1
325.07013	5.9
325.10706	6.3
325.14517	2.0
325.18604	7.2
325.27420	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	325.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.6
57.07067	4.3
60.34895	1.2
67.05508	14.5
69.07072	15.1
70.29118	1.1
71.08621	2.8
79.05496	9.6
81.06606	2.1
81.07061	32.8
83.08613	5.1
88.07616	4.8
91.05494	7.9
93.06493	1.8
93.07045	24.6
95.05016	1.1
95.08613	41.5
97.10154	4.3
98.20819	3.0
105.07037	26.0
105.16939	1.0
107.08598	24.4
109.10163	34.7
111.11728	2.6
117.06998	3.5
119.08588	20.5
120.42757	1.0
121.09348	1.8
121.10154	24.6
123.11715	16.0
129.07016	2.0
130.93350	0.9
131.08571	9.4
133.10133	13.2
135.11702	19.2
137.13231	4.2
143.08530	3.7
145.10129	16.8
147.11673	14.7
149.13257	13.8
157.10118	4.0
159.11700	15.9
161.13254	12.1
163.14868	7.5
171.11703	4.0
173.13284	12.5
175.14859	11.4
177.16397	5.5
185.13243	3.7
187.13383	1.3
187.14856	12.3
189.16389	12.1
199.14813	4.1
201.16409	11.2
203.17964	9.6
213.16350	3.1
215.17993	14.4
217.19485	5.4
227.17917	4.5
229.19524	7.9
231.21132	1.4
241.19479	7.7
243.21106	2.2
255.21187	7.3
269.22632	5.3
283.24075	1.7
307.76318	1.3
325.21515	7.9
325.28870	100.0
326.29562	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	325.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73912	1.1
53.03933	2.4
55.01871	1.7
55.05508	26.5
57.03421	2.3
57.06798	1.9
57.07076	29.7
62.49914	1.1
65.03928	2.1
67.05505	39.6
69.03427	2.8
69.07067	39.1
71.04993	2.4
71.08622	3.1
73.06567	1.3
79.05485	18.4
81.03416	3.3
81.07053	100.0
83.04996	2.0
83.08616	21.3
84.08154	1.3
85.02892	2.2
85.06541	40.7
88.19870	1.0
91.05473	10.1
93.07044	22.8
95.04990	2.1
95.08605	92.7
97.06532	5.8
97.10166	19.2
99.04445	1.5
99.08087	31.2
100.78929	1.0
105.07029	9.3
107.04962	1.2
107.08584	20.0
109.06522	1.8
109.10155	49.9
111.08105	7.4
111.11688	6.8
113.09636	2.4
117.03349	1.4
117.07072	1.3
119.08575	6.9
121.10143	13.9
123.08057	2.3
123.11700	30.1
125.09641	3.7
131.08537	1.4
132.01251	1.1
133.02863	8.4
133.10127	8.1
135.04405	1.3
135.11661	12.9
137.05954	5.4
137.09639	2.3
137.13246	7.0
139.11182	4.1
141.09116	1.6
145.10106	3.4
147.04433	2.0
147.11673	7.9
149.05977	1.2
149.13272	10.6
151.11185	5.4
151.14795	6.4
153.12718	2.5
159.11726	2.6
161.13260	4.2
163.03871	4.5
163.14807	6.1
165.05499	1.5
165.06985	1.4
165.12764	2.7
165.16376	1.3
167.14278	1.6
169.12276	1.2
173.13249	3.1
175.04033	1.6
175.14838	4.6
177.16417	3.5
179.14307	3.3
179.17958	1.2
182.15140	1.2
186.03090	1.6
187.14868	1.5
189.16399	4.5
191.08147	2.2
191.14345	1.5
191.17943	3.5
193.15897	2.4
201.05472	2.9
201.16380	1.3
203.17880	1.8
204.09340	1.2
205.06425	2.7
205.19429	1.6
207.17494	1.1
209.19020	1.4
212.20813	1.0
215.17870	2.0
219.17474	1.8
222.06650	2.5
233.05986	3.5
233.19002	2.7
235.07545	1.3
237.09082	2.0
237.18643	1.2
247.07428	1.2
249.05254	1.2
250.06194	2.6
251.20047	1.5
261.25836	2.6
264.07706	2.4
265.08536	4.8
271.23993	1.5
278.05722	1.7
279.26846	4.0
283.06049	3.1
289.25296	4.4
292.07352	3.0
293.08176	5.5
297.07608	1.7
307.09720	5.9
307.23074	1.7
307.26331	19.9
325.07025	7.2
325.10693	9.6
325.15970	1.9
325.27399	32.0
326.60550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.90954	0.5
54.85877	0.4
55.91434	0.4
64.60510	0.5
69.03395	0.6
69.68295	0.8
69.68706	1.8
70.06579	0.8
73.02938	0.6
77.86653	0.5
84.04493	0.4
84.08140	1.8
85.02899	1.5
86.06104	0.4
88.32858	0.4
91.05468	1.0
118.06511	3.9
121.06532	1.1
127.03912	0.7
128.32114	0.5
132.08490	0.6
133.07616	4.4
145.07607	100.0
146.06012	6.9
146.08385	2.4
147.09163	0.7
163.08667	58.4
193.00372	0.4
238.44505	0.6
325.13931	76.4
326.14136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1619
Annotation	Istamycin FU-10
Peak:m/z	Relative Intensity
55.05502	0.9
57.05188	0.6
67.05493	1.0
69.07041	0.8
70.06605	1.0
71.04987	0.7
75.83604	0.6
79.05499	1.3
81.07046	2.0
83.04967	1.0
83.08624	0.7
85.02900	0.6
91.05457	1.3
93.07058	1.3
95.04998	0.6
95.08601	2.0
105.07030	1.2
107.04932	0.6
107.08578	1.0
109.10159	0.9
110.13304	0.6
119.08576	0.7
133.02827	1.3
135.04410	0.6
137.05991	1.6
163.03926	2.3
163.11243	0.6
168.99330	0.6
170.65717	0.6
186.87254	0.6
201.05582	0.6
205.06534	0.6
251.11382	0.9
265.08499	0.8
269.12503	1.1
281.17291	3.0
283.05997	0.7
287.13464	0.8
293.08179	0.8
307.09595	1.0
325.07166	2.3
325.16205	100.0
326.16547	2.4
339.83530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01866	1.8
57.03433	2.5
61.02906	1.2
62.24645	0.5
67.05505	0.7
67.36571	0.5
69.03432	16.0
70.06596	3.2
70.87371	0.5
70.93652	0.5
71.01357	1.1
71.04985	5.1
71.49653	0.8
72.08163	1.2
73.02905	1.5
79.05471	0.7
81.03417	15.8
81.07043	0.6
83.04964	0.5
83.15334	0.5
84.08145	1.7
85.02893	1.1
86.09718	2.1
89.14573	0.5
91.05482	1.8
93.07054	0.7
95.04929	1.0
99.04461	5.6
107.08576	0.8
110.07173	0.6
111.04418	0.7
116.04972	0.7
117.05507	2.3
118.06551	4.8
119.04973	0.7
120.08078	1.9
121.02803	0.7
123.04433	0.9
124.07609	0.8
128.94234	0.7
129.10242	0.9
133.10133	0.5
135.04431	1.0
137.02434	0.6
137.05988	1.2
137.09677	0.7
145.07605	6.3
147.09164	6.5
152.14195	0.7
157.10086	0.6
162.07899	1.1
163.03926	2.2
163.08719	0.9
164.07109	0.6
173.05714	1.0
173.07114	9.8
175.08676	5.9
191.08157	100.0
192.08516	0.7
199.08652	0.6
203.08212	0.6
215.11797	0.8
233.09377	0.8
268.07220	0.6
279.06439	1.0
279.12973	0.6
283.05975	1.0
289.11789	1.5
297.07495	1.2
307.12888	32.7
325.03448	0.8
325.07083	11.7
325.13913	22.6
325.17764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.34679	0.3
55.05502	1.3
57.07072	0.4
58.06588	0.3
65.16195	0.3
67.05503	3.8
69.03411	0.4
69.07066	10.6
69.85021	1.3
69.85442	0.7
74.02460	0.3
79.05491	3.7
79.44327	0.3
81.07052	6.8
83.04988	2.9
86.09704	100.0
91.05479	9.0
93.07044	12.4
95.04978	2.2
95.08575	2.4
97.06507	0.5
98.20690	0.4
105.07031	13.5
107.08611	3.0
109.06515	8.8
109.10155	1.1
111.08083	2.2
117.07007	0.4
119.08578	3.7
121.06477	0.4
121.10134	1.0
123.08076	1.4
123.11738	0.6
128.10730	5.2
129.07043	0.9
131.08568	3.3
132.10201	31.6
133.06476	1.3
133.10127	18.6
135.08112	0.6
137.05968	0.9
147.08028	0.5
147.11679	11.7
149.09605	1.3
149.13258	1.2
151.07570	3.2
151.11180	41.1
152.10651	0.3
156.10222	1.2
157.10101	0.5
164.40742	0.4
165.12692	2.3
167.14264	0.4
175.11147	3.8
193.12234	4.0
210.14909	0.7
222.14888	0.9
260.20145	6.1
261.27319	0.3
278.21140	28.8
306.20639	5.5
324.21689	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01875	2.2
57.03447	2.6
57.61056	0.3
61.02920	0.7
69.03436	13.6
69.99601	0.7
70.00004	1.0
71.01353	1.1
71.05001	4.6
71.64361	0.3
73.02928	0.7
76.09181	0.3
81.03423	14.9
84.08148	0.7
85.02927	0.7
87.04453	0.4
91.05490	1.1
99.04468	6.7
116.04988	1.1
117.05473	1.8
118.06544	4.9
121.02853	0.6
143.76407	0.4
145.07626	6.3
147.09192	9.1
162.07932	1.2
163.03938	0.6
163.08694	1.2
173.07126	11.4
175.08691	4.9
178.43347	0.3
190.07478	0.5
191.08168	100.0
192.08516	0.7
203.08138	0.6
205.09682	0.9
207.02867	0.5
213.10320	0.5
215.11760	0.7
233.09190	0.9
267.06567	0.6
268.07245	1.1
271.10739	0.6
281.14917	0.8
282.47522	0.4
289.11792	1.4
296.06732	0.5
297.07764	0.5
307.12903	31.5
325.03558	0.8
325.07278	7.0
325.13919	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	324.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01873	0.8
57.03453	4.1
60.96602	0.7
61.02919	2.2
63.56599	0.5
68.08131	0.5
69.03437	9.6
70.06595	1.4
71.01353	1.6
71.04250	1.0
71.04984	3.5
72.08157	0.5
73.02898	1.7
73.97569	0.5
75.04468	1.0
84.04509	0.6
84.08151	1.2
86.06073	1.1
86.09701	1.1
91.05489	1.1
99.04458	4.3
107.04934	1.0
117.05447	0.8
118.06536	1.5
120.08070	1.2
130.08531	0.5
132.06578	1.1
133.02863	1.1
145.07610	2.6
147.09181	1.5
162.05531	1.1
162.07939	0.7
163.08633	0.6
166.08685	0.7
172.07254	1.1
172.08711	16.9
173.07117	2.5
175.07462	0.9
175.08705	2.9
179.03410	2.5
189.08881	0.9
190.09766	59.4
191.08171	29.6
191.09535	0.6
202.09744	1.2
214.09599	0.6
246.44229	0.5
277.36102	0.6
279.06686	0.9
287.95090	0.6
306.14404	1.9
307.12906	14.8
324.15564	100.0
325.07196	0.9
325.15781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1956
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03938	0.8
55.05506	0.4
58.37235	0.3
62.81576	0.3
67.05500	0.5
69.22106	0.3
70.06572	0.3
72.08156	0.8
73.23882	0.3
74.29205	0.3
79.05493	16.4
81.07051	0.5
85.93915	0.4
86.09674	0.6
91.05495	1.9
93.07038	1.5
95.04948	0.9
98.20712	0.7
98.86216	0.3
103.05466	32.0
105.04478	0.4
105.07029	2.7
107.04956	19.1
109.10226	0.3
118.06544	4.8
120.08099	0.5
121.06499	1.0
131.04924	11.0
132.08084	2.1
133.08838	0.8
134.09604	0.5
146.09669	2.1
147.10428	0.6
149.05977	0.8
160.11218	0.7
176.14346	42.1
177.14728	0.8
189.15178	0.4
190.08644	0.4
196.16336	0.4
233.14192	0.4
281.14108	0.4
283.06259	0.6
301.07376	0.4
306.20941	0.4
321.86658	0.4
324.19574	100.0
325.19928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81850	0.8
70.02945	1.3
70.06563	2.4
70.12164	3.6
74.67578	0.8
76.02217	2.9
84.04498	2.2
114.10326	0.9
118.06530	2.5
123.04396	1.1
123.05532	4.5
128.04939	7.4
128.08525	1.0
130.05006	1.9
130.06528	25.3
132.04440	1.9
142.06406	1.0
145.07564	0.8
146.06010	100.0
147.04381	1.4
147.06215	1.0
148.03920	2.6
156.04408	5.6
157.07596	2.5
158.06015	57.9
172.03941	1.9
173.07108	27.5
174.05557	6.6
175.08650	1.5
180.07692	1.6
186.96602	0.8
197.07303	0.8
197.18794	0.9
199.05052	1.0
201.06592	1.9
202.05042	4.0
219.07784	0.8
243.07660	2.4
259.07129	12.3
261.08624	3.0
287.06558	2.1
305.07816	1.1
323.12283	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	323.055
Annotation	7,7'-Dihydroxy-3,8'-biscoumarin
Peak:m/z	Relative Intensity
54.83916	0.5
55.01865	1.3
69.04431	0.4
70.06585	4.1
71.05024	0.6
71.32934	0.9
71.37943	0.5
72.08155	2.0
81.03445	0.7
84.04508	0.9
84.08120	1.6
85.54628	0.4
86.06069	1.9
86.09721	4.6
97.07704	0.5
105.03390	1.0
110.07184	0.6
114.10310	2.5
116.07071	2.3
117.03388	0.8
120.08097	1.3
120.17576	0.5
121.02881	0.8
123.04438	2.5
123.05537	0.9
129.03383	0.5
129.10237	0.6
133.02866	1.8
134.03578	0.6
135.04454	0.5
137.02339	1.0
138.09177	0.6
139.83681	0.6
141.06999	1.1
145.02837	2.4
147.04404	1.9
152.06198	1.1
153.06990	1.1
155.08562	1.2
161.02376	1.2
162.03159	0.9
163.03929	2.7
165.07008	21.9
167.08531	0.7
169.06468	1.6
173.02420	0.8
174.09122	0.6
175.08716	1.4
176.06224	3.5
176.14305	0.9
177.05458	3.0
177.07007	4.6
179.04880	0.8
181.06505	1.0
183.08064	2.3
187.03961	1.2
189.10265	1.2
190.08749	0.6
192.05716	0.7
193.06497	16.0
194.07269	0.8
195.08044	1.1
197.05986	2.7
201.01749	0.7
203.04907	1.4
203.08195	2.0
205.06502	8.6
206.07172	0.5
207.07829	0.6
210.06810	0.9
211.07516	5.5
213.05446	0.6
217.09686	1.4
220.05232	0.6
221.05986	41.4
222.06500	0.8
223.07614	2.5
225.05505	1.8
231.04472	1.1
233.05959	5.7
235.10895	1.0
237.05455	0.7
239.07065	9.6
249.05487	46.4
250.06143	2.0
251.07043	1.8
253.04945	1.4
259.03897	1.2
261.05508	3.5
263.10300	5.4
264.23260	1.8
266.05716	1.6
267.06546	11.9
273.08618	0.8
277.04971	27.3
278.05542	1.0
279.06555	6.0
281.04489	1.2
291.09760	1.8
294.05289	0.8
295.06033	41.3
296.06250	0.9
305.04489	10.0
305.10828	0.6
305.14697	0.7
323.05521	100.0
323.12256	8.5
323.16171	1.7
323.28119	1.6
324.05899	2.0
324.15741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.5
58.99855	4.9
67.64135	2.0
70.13157	8.9
70.99866	14.2
76.85484	2.0
77.00908	10.8
82.99845	9.7
84.04492	3.0
84.08147	20.1
84.96014	2.7
85.01421	2.8
86.99300	2.5
89.00887	21.4
97.02862	3.0
98.97564	4.6
99.89133	2.3
101.00890	86.1
103.00630	2.7
103.02484	3.0
107.01931	5.3
113.00877	6.7
117.00333	3.2
119.01928	100.0
120.48882	2.1
121.01639	3.3
123.17558	2.0
129.00362	17.7
130.08675	3.6
131.01918	8.7
135.01398	25.9
137.02956	8.6
143.01904	83.6
147.01405	61.6
147.03137	3.6
149.02969	3.1
153.02464	14.7
159.01392	11.9
161.02963	53.1
163.00996	4.1
163.02678	5.1
165.02475	7.4
171.01390	22.6
172.99336	5.0
175.00914	3.6
177.02438	22.6
182.00227	2.8
183.96277	2.0
184.04575	2.0
185.96545	2.8
186.07556	3.0
186.99324	3.8
187.00879	12.6
189.02454	28.2
190.99178	2.0
191.00395	15.5
191.02174	5.8
193.01915	10.9
193.74211	2.3
197.96516	2.5
203.00505	3.4
205.01979	15.3
206.97083	5.0
209.01439	9.6
211.98471	2.1
212.95110	2.4
214.96672	5.1
215.00426	5.5
215.96620	2.8
217.01869	3.3
217.99533	4.4
219.02043	5.0
219.97922	2.7
220.02028	10.4
221.95869	5.9
222.96175	2.1
225.95892	2.4
227.98384	2.3
229.95889	2.4
230.96434	2.4
233.01491	34.6
238.97144	3.0
242.95938	4.4
249.00928	24.6
250.95924	3.9
251.02469	13.6
256.97379	4.2
257.97678	11.8
258.65085	2.4
260.98300	2.8
261.00934	32.5
265.00491	3.4
267.02106	5.1
268.98624	3.1
269.95291	2.8
273.95865	2.6
276.99164	2.4
278.95520	7.5
280.97379	3.0
287.95978	8.0
288.27530	2.3
288.46121	2.9
298.98529	11.3
299.98904	12.7
300.46167	2.7
304.99957	5.0
308.96515	7.0
309.46701	3.0
323.00928	20.0
323.14548	3.6
341.02090	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	322.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
57.03440	13.9
69.22336	3.0
69.22749	10.2
70.06583	2.0
75.18718	1.4
80.05025	2.1
81.07056	2.2
82.06584	1.4
84.04502	3.0
85.02439	2.1
85.02905	27.1
85.88865	1.4
91.05480	4.7
92.32176	1.1
92.86697	1.3
93.05785	1.4
93.07032	3.7
94.06562	11.2
95.04839	1.4
99.76383	1.3
103.72906	1.5
105.07041	1.5
106.06561	3.6
106.51527	1.4
107.08587	2.0
109.10145	1.9
117.05791	1.5
117.07013	1.6
118.06530	4.6
119.07379	1.6
119.08580	4.8
120.08092	11.5
121.08904	1.3
122.09664	3.4
130.06541	1.4
131.07321	3.4
132.08070	8.8
134.09662	15.0
135.10420	2.7
136.11227	8.9
138.09113	2.9
141.06567	2.0
144.08095	3.4
145.08829	3.7
146.09647	4.8
148.07530	7.3
148.11189	1.4
150.09099	6.8
157.10130	2.9
158.05685	1.4
158.09637	6.6
159.10446	2.7
160.07535	3.2
160.11180	7.9
161.08377	2.0
162.09102	2.4
164.06845	1.3
173.12003	1.6
174.12784	10.8
176.10695	2.7
178.08618	5.7
182.09584	1.3
184.11156	1.5
186.09140	3.5
187.10005	1.5
188.10709	6.4
190.08617	2.2
191.13060	5.6
192.06543	3.7
192.13812	12.2
194.08154	4.3
202.12294	9.4
204.10184	15.8
206.08131	17.9
206.11784	3.6
210.07518	1.7
216.10204	2.3
216.13823	3.4
220.13335	10.0
224.09167	6.1
229.11034	1.6
230.15471	9.1
232.09714	4.7
234.11244	17.1
244.09711	2.0
248.12862	6.6
250.10783	17.1
252.12309	5.9
258.14859	19.4
262.10779	24.9
266.13904	12.1
276.15939	36.6
280.11807	9.3
286.14331	2.5
299.06116	1.7
304.15427	28.6
317.36017	1.3
322.16470	100.0
323.16888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98509	2.9
54.75060	2.8
55.05503	3.0
55.76721	3.1
57.03429	5.3
58.75307	2.9
58.99580	7.6
59.04993	4.4
60.04526	79.5
61.02925	3.8
63.79636	2.8
69.03434	18.2
69.07069	100.0
70.06585	17.7
71.04967	4.7
71.08639	18.0
71.48808	4.7
72.04519	3.9
72.08137	11.8
73.02892	3.8
73.06557	9.5
74.06097	4.0
76.02232	28.6
80.04999	5.1
81.03413	6.2
81.07050	3.8
84.04517	31.7
84.08141	17.5
85.02909	61.8
86.06068	6.3
86.09698	6.7
87.08086	3.2
87.53076	3.2
90.05550	11.9
93.07031	3.6
96.04493	23.2
97.02898	67.0
97.06544	12.8
98.06074	11.4
105.03459	3.3
107.04998	4.0
109.02876	7.6
114.09171	25.7
115.03934	4.1
115.07577	57.8
116.01685	9.9
116.20387	3.6
120.08101	23.2
126.05508	12.2
127.03926	10.6
130.04999	5.3
138.05550	4.0
142.03157	3.9
142.08641	87.2
143.07042	79.7
144.01175	6.8
144.06570	41.4
145.04967	4.4
147.04413	4.6
148.04787	6.4
157.13393	4.6
158.06065	3.8
160.07585	9.3
160.09706	81.2
162.07631	25.9
164.07391	3.9
175.08681	5.7
175.11902	3.6
176.03786	13.8
177.05518	9.2
184.09708	46.1
193.06467	11.8
202.10783	20.2
219.15013	8.3
221.09181	5.5
233.05992	5.8
247.14363	3.6
286.13037	5.1
290.11942	4.7
304.13785	10.4
322.12869	6.8
322.20166	9.8
323.05496	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	322.1437
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
50.01594	0.2
51.02385	0.4
53.03938	0.9
55.01860	0.2
67.05510	0.3
71.49899	0.3
71.50262	0.2
78.03459	1.5
79.05493	0.3
81.07080	0.3
81.20433	0.2
81.78619	0.2
91.05489	1.2
93.07047	0.3
95.04952	1.3
96.04497	100.0
97.04829	0.6
98.21540	0.2
103.05461	0.2
105.04520	0.7
105.07023	2.2
115.05475	0.8
119.04951	7.6
119.05804	0.5
128.06224	1.3
129.07016	7.8
133.06506	2.1
134.07278	7.7
136.07578	1.6
141.07033	1.2
151.09683	0.3
155.06221	0.2
157.06439	1.0
157.13383	0.3
170.07393	0.4
171.08078	0.4
181.06459	0.3
185.05995	13.6
186.06598	0.3
194.07285	0.3
199.07567	1.4
209.09702	0.4
215.00578	0.2
227.10681	9.5
236.24156	0.2
300.97891	0.2
317.94974	0.2
322.14444	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	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05516	3.7
56.05032	9.0
57.03421	6.0
58.99584	7.1
59.05000	5.1
60.04526	54.3
62.39762	2.6
65.78605	2.8
69.03426	11.4
69.07071	80.7
70.06589	18.5
71.04968	4.4
71.08630	20.6
71.49683	2.9
72.04518	4.3
72.08156	9.1
73.06562	4.8
74.06070	9.2
76.02237	30.2
79.05477	3.0
81.03406	10.1
81.07043	3.8
84.04508	32.1
84.08131	5.8
85.02906	41.9
86.02416	4.2
86.06063	3.8
86.09689	4.9
90.05548	10.9
95.04949	3.3
96.04504	15.6
97.02894	56.7
97.06528	12.3
97.22318	2.9
98.06055	8.2
102.05508	3.3
104.05323	5.0
109.02883	5.9
110.07196	3.9
111.78482	3.0
114.09183	30.4
114.62757	3.4
115.03914	3.7
115.07567	38.2
115.08716	3.7
116.01691	4.4
119.04900	5.0
120.08112	8.1
123.04433	3.8
126.05537	7.3
127.03924	13.9
128.10190	3.0
130.05022	6.4
130.06500	9.1
132.04500	5.4
138.09186	4.8
142.07585	6.3
142.08643	100.0
143.07031	53.0
144.06564	28.9
145.04988	5.5
147.04413	10.4
148.04794	8.3
148.06046	5.2
157.07660	5.1
158.05998	8.2
159.09171	3.5
160.07555	10.0
160.09691	67.0
162.07634	14.9
172.80640	3.2
175.08678	9.2
176.03769	8.5
177.05489	5.2
180.08742	4.4
184.09694	38.4
193.06407	12.4
202.10789	14.0
221.09244	13.7
233.05879	7.5
235.07617	4.0
263.07001	3.8
295.09760	5.0
304.13654	6.8
322.13040	4.9
322.15842	4.1
322.19693	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.05034	2.5
56.96556	0.9
58.99586	20.6
60.04532	0.7
68.21368	0.6
69.03419	1.2
69.07066	1.2
69.19221	0.6
69.94791	2.2
69.95209	0.9
70.06593	3.7
74.06076	0.6
76.02227	100.0
80.05023	2.3
83.06091	1.3
84.04502	42.4
84.08147	1.5
85.02907	2.1
86.99044	4.2
88.02238	3.4
90.05553	34.8
97.02898	1.5
98.00655	0.9
102.05532	1.3
109.02902	0.7
114.03753	1.7
114.09193	0.7
115.07571	0.9
116.01675	31.3
119.01858	0.9
123.05560	1.2
126.05568	0.7
128.07130	0.7
130.03270	1.5
130.05011	11.5
130.06557	0.7
141.04837	1.6
142.03226	10.3
142.08640	2.4
143.07104	0.8
144.01143	22.2
144.06613	0.7
146.02644	1.2
146.06058	1.0
157.07672	0.6
157.13431	0.7
158.02719	0.9
158.06032	0.8
160.09694	4.9
161.03864	1.0
163.03888	0.8
170.02718	3.4
176.03770	36.4
182.70618	0.6
184.09570	0.7
187.05331	3.2
193.06424	44.3
198.58363	0.7
215.04858	3.2
219.01836	0.7
233.05890	18.8
233.44952	0.6
256.63989	0.7
259.07599	3.7
304.13217	1.0
305.08057	2.7
322.10718	3.9
322.15146	0.9
322.18790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1067
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
54.27234	0.8
56.05031	1.4
58.99303	1.3
58.99586	20.1
63.72321	0.9
70.67847	2.2
73.01145	1.7
76.02229	100.0
80.98348	1.0
84.04510	36.7
86.99054	4.1
88.02206	3.3
90.05553	34.9
98.21381	1.1
116.01681	26.9
130.03256	1.2
130.04173	1.4
130.05014	12.7
141.04831	2.1
142.03223	10.1
144.01151	23.0
161.03830	1.4
170.02702	3.7
176.03773	37.6
187.05313	2.9
193.06436	47.6
215.04832	2.8
233.05914	23.1
246.64291	1.0
259.07397	1.8
266.91888	1.1
267.59885	1.1
304.09412	1.0
305.07883	2.1
317.20035	1.0
322.10703	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	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89063	0.2
65.55782	0.2
69.40609	1.0
69.41027	0.9
70.06570	0.3
84.08118	0.3
95.06100	0.5
111.05580	1.2
114.09141	0.4
123.05560	1.0
135.97035	0.3
141.06587	2.7
159.06425	0.4
159.07646	1.8
160.09682	1.0
189.01814	0.4
315.19495	0.3
321.11548	100.0
322.11890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24239	0.7
54.01016	0.7
55.05513	2.1
57.03402	0.7
57.38017	0.7
67.05499	2.2
69.03438	1.9
69.07073	3.2
70.06582	1.4
70.83190	2.1
71.05001	0.8
74.72900	0.8
79.05493	3.6
81.03419	4.7
81.07059	4.7
83.04971	1.6
83.08620	1.0
85.65908	0.8
86.09706	100.0
91.05482	3.1
93.07052	4.7
95.04973	1.9
95.08604	4.5
97.06538	1.0
97.10161	1.0
103.05460	5.9
105.07034	2.8
107.04977	1.8
107.08596	2.9
109.02859	2.0
109.06517	1.8
109.10165	2.8
112.50836	0.7
117.03371	1.5
117.06983	0.9
119.08575	2.0
120.08105	100.0
121.08490	0.9
121.10150	3.8
123.08089	0.9
123.11692	1.5
128.10718	48.6
131.04924	2.5
131.08582	1.7
133.10132	2.6
135.11687	2.9
137.09593	0.8
145.02823	2.1
145.10147	2.1
147.04384	1.9
147.11676	2.1
149.05956	2.8
149.13260	1.1
149.20491	0.7
156.10199	11.7
159.11653	1.5
161.09608	1.0
166.08643	57.8
173.13321	1.1
175.14819	0.9
177.05463	4.0
187.35521	0.9
227.17761	0.9
246.06863	0.8
261.09155	1.1
267.32065	0.8
285.21918	1.0
295.67776	0.8
303.23138	2.0
321.09628	2.3
321.17334	0.8
321.24362	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	319.1654
Annotation	Phomamide
Peak:m/z	Relative Intensity
53.03923	0.7
55.05507	2.3
56.05016	0.7
57.03432	2.5
64.25783	0.6
67.05472	0.9
69.03408	0.6
69.07056	1.8
69.24011	4.7
69.24429	1.7
70.06593	3.2
71.04961	1.0
72.08142	2.6
73.08468	0.8
74.06055	1.2
79.05475	1.6
81.07073	3.4
82.06582	0.9
84.08139	2.0
85.02878	0.6
86.09712	7.1
87.22285	0.7
96.08110	1.0
98.09670	0.8
102.11712	0.6
114.68803	0.7
118.06554	1.7
118.42042	0.7
123.04492	0.8
128.01859	0.7
128.07025	1.1
129.10231	1.0
130.06537	29.0
130.08612	2.0
132.04478	0.9
132.08055	1.2
135.04466	0.8
139.03889	4.9
142.08650	0.9
144.08066	2.3
146.06020	3.7
156.06825	9.4
157.07622	52.7
158.06021	4.6
159.09206	0.8
159.11267	1.4
160.07585	2.7
163.03889	1.2
168.08136	1.2
169.07631	4.8
170.08255	1.2
171.09157	1.1
171.58084	0.6
174.05467	1.3
179.02261	0.7
182.08392	1.6
183.09151	1.8
185.07133	4.4
185.10802	4.1
186.09117	0.9
188.07124	1.6
188.11082	1.0
191.03346	1.8
197.10858	1.5
199.12375	0.6
202.07359	2.5
203.08163	48.3
204.08577	0.7
211.08582	1.2
211.12366	3.1
212.09447	1.2
213.10251	1.1
213.13791	0.9
220.62335	0.7
225.10060	0.9
226.11040	2.3
227.11809	2.3
228.10289	1.1
229.13380	2.1
239.11768	0.7
239.15349	0.7
254.10323	1.0
255.11305	2.0
257.12866	22.8
270.09976	4.8
272.11594	4.1
273.12357	2.2
273.15906	0.7
275.13904	2.6
283.10764	3.0
283.13754	0.9
301.11853	24.2
301.15445	100.0
302.15674	1.7
319.12845	8.8
319.16525	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	319.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
61.82027	0.3
67.05489	0.8
69.07069	0.4
69.43045	1.1
69.43468	1.0
79.05490	0.6
81.07037	1.0
84.08111	0.3
86.09725	0.3
91.05473	0.9
93.07055	0.7
95.04980	0.4
95.08593	0.9
98.20787	0.7
103.05461	0.8
105.07015	0.6
107.08557	0.7
109.02900	0.5
109.10143	0.5
115.05441	1.2
117.07016	5.3
118.06548	2.1
119.08557	0.5
120.08125	1.0
121.10132	0.7
123.04507	0.4
128.04999	0.5
128.06218	0.4
132.08093	0.8
143.07327	3.5
144.08083	100.0
145.06465	0.5
145.08369	0.5
146.09631	1.0
149.09608	0.4
155.05986	1.1
156.45508	0.3
157.10008	0.3
158.97148	0.3
167.03354	0.3
176.14343	47.6
177.14694	0.5
301.11746	0.4
301.21695	0.5
319.21680	25.0
320.22174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1242
Annotation	Asp-Trp
Peak:m/z	Relative Intensity
52.46012	0.6
55.05506	1.1
56.05054	3.3
60.75103	0.7
61.01131	1.9
68.05008	2.7
69.07066	1.5
70.02942	0.7
70.06586	4.9
70.50258	2.1
72.08141	2.6
82.06581	1.0
84.04493	2.5
84.08158	4.4
86.09711	4.4
91.05446	1.7
93.07008	0.6
97.43005	0.6
99.05557	0.8
103.84518	0.6
104.05309	1.7
110.07147	0.9
116.27254	0.6
119.04930	0.8
120.08090	1.9
121.06422	0.7
127.05025	1.5
129.10219	1.3
130.06473	0.7
136.07539	1.1
139.03886	2.4
140.04216	1.9
143.57129	0.7
146.05989	1.6
147.04399	1.5
156.40836	0.6
156.42084	0.7
158.11720	1.2
163.03886	1.3
171.09218	0.7
172.11514	1.2
184.06271	0.7
185.07085	0.7
188.07225	0.8
189.06694	1.4
192.03925	0.7
197.09377	1.2
199.08681	2.4
212.08322	0.8
214.09741	2.1
217.09874	0.8
217.13712	3.6
225.09241	0.7
226.09702	5.4
227.10439	0.8
229.09645	1.2
230.09010	0.8
238.09610	0.8
239.10509	2.6
242.09306	8.9
243.10030	41.5
244.10794	13.5
254.09157	1.0
255.09995	1.6
256.10803	42.2
258.08664	0.7
272.10294	100.0
273.10751	1.5
274.12045	0.7
284.10291	30.6
296.04462	1.0
302.11353	87.1
303.11505	1.0
320.12399	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	321.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48575	2.7
70.06592	1.1
71.89324	0.4
77.85271	0.3
98.20768	0.8
103.92935	0.3
106.53442	0.4
116.07053	1.0
130.51006	0.4
134.04544	0.3
134.42595	0.4
159.07666	0.4
263.77115	0.4
321.11578	100.0
322.11865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05492	2.2
56.05024	1.1
56.42738	0.6
57.03429	0.9
57.18417	0.7
65.03947	4.0
66.14383	0.7
67.05495	3.2
69.03407	2.1
69.07061	3.3
70.06573	2.8
71.49664	0.9
72.08134	0.9
73.93876	0.7
74.23508	0.6
76.99934	0.7
79.05477	2.9
80.04998	0.9
81.03384	0.7
81.07054	5.8
82.06528	1.0
83.04951	0.8
84.08153	4.5
85.02881	0.9
86.09718	3.3
91.05469	3.1
92.05009	7.0
92.34191	0.6
93.07043	4.5
95.04951	2.3
95.08592	2.9
96.08134	1.5
97.06564	0.9
102.14291	0.7
103.05459	2.3
105.07011	3.1
106.06525	0.9
107.04924	1.5
107.08598	3.4
108.04467	2.0
108.08093	1.0
109.06495	1.3
109.10154	1.8
110.06026	1.8
110.07160	2.9
110.09671	0.7
110.91087	0.7
117.07015	0.9
118.07795	0.7
119.08564	3.2
120.04476	1.5
120.08114	8.6
121.06494	0.9
121.10139	1.7
123.04421	1.8
123.08065	1.1
124.07568	4.4
125.09633	0.9
126.09143	5.2
129.07013	0.8
129.10225	2.0
130.06445	1.6
131.08556	1.6
132.08128	0.9
133.10141	1.9
135.11656	1.4
136.03954	6.1
136.07512	0.9
137.05983	1.7
138.09143	19.8
143.08534	0.9
144.08086	1.6
145.10121	2.0
146.06006	1.0
147.04465	1.3
147.11670	1.2
148.07544	0.7
149.05971	1.8
149.09578	0.8
150.09200	0.9
151.03940	1.8
153.01744	0.8
153.07146	0.7
154.04988	2.8
155.08548	2.2
157.08867	0.9
157.10117	2.2
158.09648	0.8
159.09213	1.2
159.10413	0.7
159.11700	1.7
161.06009	0.8
161.09592	1.1
164.03430	6.6
165.05476	1.5
166.04977	3.2
167.05974	0.8
167.07278	1.7
168.08076	1.0
169.07605	0.9
169.08865	1.6
170.09677	0.9
171.09227	1.1
176.03476	3.5
177.05417	3.3
181.03529	0.8
182.04503	15.5
182.06070	1.3
182.08252	1.0
182.09676	1.3
184.11243	1.9
185.07059	1.0
194.04494	4.5
198.07820	1.3
199.02260	0.7
199.08662	1.9
200.09419	1.2
201.13872	9.1
202.12294	1.1
209.07088	0.9
210.09171	2.4
211.08713	2.5
211.12259	2.1
212.07620	0.7
212.09422	3.6
213.10266	1.0
214.12329	1.9
226.10959	1.0
227.08154	1.9
227.11804	4.4
228.08937	2.7
229.13361	41.1
230.11795	1.1
237.10220	1.2
238.08629	3.1
241.09894	1.1
242.10460	0.8
245.09229	1.2
254.06590	0.8
255.07726	2.0
255.11302	10.0
257.12860	26.0
258.11218	1.8
271.10672	2.6
272.07913	2.0
273.08807	1.6
273.12320	9.5
283.10794	14.9
284.09171	12.3
291.13434	2.1
301.11835	43.1
301.15048	1.6
301.21552	1.0
319.12878	100.0
319.22815	2.1
320.13126	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	319.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95414	0.6
55.01853	0.5
55.05493	0.6
57.03441	0.5
67.05509	0.5
69.03413	1.2
70.02941	2.0
70.06593	5.4
70.60000	0.5
71.04982	0.4
71.06932	0.8
71.49059	0.8
79.05481	0.7
79.26890	0.5
81.02451	0.5
81.03419	0.7
82.06521	0.5
84.08132	0.9
88.04029	0.6
95.04954	1.2
103.05448	0.7
105.07039	0.7
110.07172	0.7
111.04420	0.9
117.03386	0.7
122.06042	0.6
130.06476	0.9
131.04893	0.8
135.04427	1.2
137.02434	0.6
138.09135	0.9
139.03886	5.8
139.09428	0.5
144.08073	0.5
145.02765	0.5
146.06007	0.6
147.04408	1.0
149.47078	0.5
156.10141	0.6
157.04938	0.7
157.07611	0.7
159.04451	1.7
163.03889	5.3
167.07323	0.7
168.08066	0.5
169.07608	1.3
171.09189	0.9
175.08598	0.5
176.08913	0.6
182.09663	1.9
183.09169	1.4
184.09869	2.7
187.12573	0.5
191.03441	1.9
193.07620	1.6
194.08376	2.1
195.09167	2.2
196.10020	3.7
197.07059	0.7
197.10661	0.6
198.05986	0.6
198.07886	0.9
199.08618	1.2
199.12294	2.3
200.10771	1.1
201.22647	0.5
204.06609	0.7
209.10748	7.7
210.09251	0.5
210.11487	2.1
211.08786	2.5
211.12267	3.7
212.09360	3.7
213.10242	2.9
214.10625	0.5
223.82063	0.5
225.10310	2.7
226.10989	8.1
227.11768	7.2
228.10225	3.0
229.09727	0.8
237.10243	1.8
239.11745	1.1
240.08978	1.2
241.09669	1.3
244.08617	0.8
245.12990	0.6
250.07106	0.9
254.10492	0.7
255.11287	9.8
256.06128	1.0
257.12897	0.7
262.37384	0.5
265.09506	0.5
270.09979	10.6
271.10825	2.8
272.11530	8.7
273.12329	9.6
275.13846	7.6
283.10779	10.0
301.11841	33.1
319.12888	100.0
320.13144	1.4
322.20706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05508	2.1
57.07072	0.3
58.06583	0.7
59.05002	0.4
65.03947	2.7
67.05510	2.4
69.03440	0.7
69.07070	1.6
70.06596	0.9
71.04992	0.5
71.50001	0.4
71.77431	0.3
72.08123	0.4
79.05493	1.6
80.04983	0.3
81.03397	0.3
81.07051	4.5
83.04961	0.5
83.08631	1.0
84.08135	1.2
84.14362	0.3
85.02960	0.4
85.06544	0.8
86.09708	0.7
91.05482	1.3
92.05014	3.2
93.07053	2.8
94.06592	0.4
95.04969	0.7
95.08619	3.7
96.08131	0.3
97.06541	0.6
97.10159	0.9
99.04491	0.3
100.11259	1.0
102.64954	0.3
103.05455	0.7
104.05019	0.3
105.07030	2.5
106.02906	0.5
106.06503	0.3
107.03659	0.3
107.08595	3.3
109.10162	2.3
110.06059	0.7
110.07169	0.6
111.08107	0.4
117.07062	0.4
119.08580	2.3
120.04473	0.8
120.08102	1.8
121.06541	0.5
121.10149	2.2
122.06059	0.9
123.04465	0.3
123.08063	0.3
123.11723	1.1
124.07600	1.7
125.09653	0.4
126.09173	0.8
129.07033	0.6
129.10254	0.4
131.08591	1.4
131.19476	0.3
132.04521	0.4
133.02817	0.8
133.10143	2.4
135.04285	0.3
135.08072	0.5
135.11728	1.3
137.09625	0.9
137.13214	0.3
138.05516	0.6
143.08545	0.7
144.08081	0.8
145.10088	1.4
147.08066	0.3
147.11685	0.9
148.03935	2.5
149.09615	0.6
149.13338	1.5
150.05563	1.0
151.11122	0.4
152.03561	0.3
152.07091	1.2
153.01892	0.5
155.08598	0.4
157.10143	0.7
159.11708	1.2
161.09567	0.7
161.13184	0.6
163.11246	0.5
166.05002	9.0
167.07312	0.4
171.11708	0.5
173.13368	0.7
175.11128	0.3
175.14952	0.3
176.03374	5.3
179.10611	0.3
182.09673	0.4
184.09996	0.3
184.16927	0.5
185.13197	0.5
186.09109	0.5
187.14799	0.7
189.16417	0.6
193.05011	0.4
194.04503	16.1
197.13290	0.4
199.08667	0.3
199.12337	0.4
200.10858	0.4
201.10255	0.3
203.14368	0.4
210.09232	0.4
211.08641	0.8
212.09435	2.1
213.10094	0.3
213.16454	0.4
214.08766	0.4
227.08142	0.4
227.11797	2.2
228.10173	0.4
237.10062	0.3
240.08994	1.3
255.11328	2.2
255.21178	0.4
270.10037	0.6
273.12305	1.0
273.22287	0.4
275.14038	0.5
283.10724	1.0
283.20529	0.4
301.11835	100.0
301.20941	1.4
302.12280	2.0
319.12885	26.4
319.22717	1.6
319.26370	1.4
320.13205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89902	0.5
54.34032	0.6
55.01852	0.6
55.05501	1.6
56.05035	0.7
57.03431	2.6
60.04532	0.7
63.46197	0.7
64.54705	0.6
67.05511	0.8
68.04991	0.5
69.03432	1.1
69.07081	1.0
70.06588	3.6
71.48630	0.8
72.08146	2.1
73.02892	0.8
74.06090	0.8
75.51557	0.8
79.05491	1.4
81.07058	4.0
82.06548	0.8
84.08127	3.6
85.02920	0.9
86.09708	5.7
87.10059	1.0
88.74255	0.6
95.04980	1.1
95.08583	0.9
96.08141	0.9
106.06566	0.7
110.07162	0.9
111.04479	0.8
117.07077	1.0
118.06589	1.4
119.14703	0.7
120.08123	0.9
123.04414	0.8
126.09216	1.3
127.03810	0.8
128.07080	1.1
129.10269	0.9
129.59428	0.7
130.06529	18.6
130.08641	1.4
131.08638	0.7
132.04442	1.2
132.08101	0.8
136.07698	0.7
137.02373	1.2
139.03918	7.5
140.07065	0.7
142.08662	0.8
144.08113	2.1
146.06053	2.6
148.04033	0.8
150.05556	0.7
150.78059	0.7
154.06540	1.1
156.06845	5.3
156.08049	1.1
157.07616	31.8
158.06062	2.4
158.09712	0.7
160.07631	1.7
163.03922	2.1
168.08171	1.4
169.07585	3.8
170.06065	0.9
171.09203	2.0
172.11163	0.8
174.09192	1.4
175.08696	0.9
178.05061	0.8
182.08342	1.1
182.09750	0.9
183.09227	2.1
184.09987	3.0
184.11404	1.1
185.07039	3.6
185.10786	3.1
188.07172	1.2
191.03421	3.2
195.09137	1.5
196.09946	0.9
197.07187	0.7
197.10760	1.5
198.07899	1.4
199.08748	2.2
199.12373	1.6
200.10703	1.4
202.07419	1.4
203.08167	28.8
209.10808	2.2
211.08731	2.4
211.12271	1.8
212.09459	4.3
213.10245	3.7
213.13750	0.8
215.08098	0.9
225.10323	3.5
226.11046	9.2
227.08534	0.8
227.09474	0.9
227.11801	12.7
228.10226	5.6
229.13503	1.3
240.21619	0.6
241.09712	1.1
254.10458	3.2
255.11285	8.3
255.14232	0.7
255.15137	0.8
257.09790	1.2
257.12857	15.8
270.09985	21.6
271.10773	3.2
272.11554	13.3
273.12338	8.2
275.13989	1.5
283.10828	9.0
297.54343	0.7
301.11935	100.0
301.15579	61.8
302.12518	1.4
319.08798	1.5
319.12991	33.0
319.16623	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	318.2023
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
53.03947	0.7
55.05511	11.0
56.05021	1.0
57.05809	1.5
60.04526	21.4
60.82513	0.5
63.18679	0.5
69.03434	0.7
70.06592	2.0
71.48948	0.7
72.08157	100.0
74.06072	0.5
81.07069	0.6
84.08154	1.4
85.02898	0.7
86.09709	26.0
86.11404	0.5
87.05592	1.2
88.04008	0.6
97.06590	0.7
100.07594	0.9
110.06087	1.0
110.09729	0.6
111.09177	0.8
114.09203	1.8
115.08759	0.6
118.39798	0.5
119.08632	1.0
120.08123	0.8
123.04413	0.9
126.09190	0.8
127.03887	0.6
130.06549	0.7
132.10204	19.9
132.76729	0.6
137.05997	1.2
138.05521	1.5
138.09196	1.8
139.03946	1.2
141.10248	1.2
156.06650	1.0
156.10202	8.6
157.07654	0.5
159.11296	23.6
166.05902	1.1
167.76263	0.5
169.09772	0.6
173.12857	7.4
173.14230	0.6
179.61743	0.5
183.11313	1.2
187.10780	25.8
201.12396	2.9
219.13405	32.4
229.11800	0.7
300.10657	0.5
300.19345	1.5
301.12085	1.0
301.15295	0.6
318.11560	1.0
318.16879	0.6
318.20331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3002
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
51.61115	0.6
55.05518	3.9
56.05037	7.8
57.07088	3.8
58.06594	0.9
60.04525	100.0
67.05515	3.8
68.05049	0.7
69.06741	0.7
69.07054	3.8
70.06606	1.3
70.89986	1.2
70.90340	0.6
71.08629	2.3
72.04525	0.9
74.06073	2.1
79.05495	2.2
81.07063	5.1
82.01588	0.5
82.06603	0.8
83.04987	1.1
83.08619	3.1
83.53799	0.5
85.10193	0.7
85.30219	0.5
86.06062	1.1
88.07618	1.4
90.05537	1.5
93.07053	2.3
95.08615	3.8
96.08116	0.7
97.10157	1.2
104.98814	0.5
105.62726	0.6
107.08584	1.2
109.10151	1.9
252.26990	1.3
254.28546	1.5
264.26880	2.5
265.25208	1.0
270.27975	3.7
282.27899	12.6
300.28970	16.4
318.30014	35.5
319.30035	0.7
336.28049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05505	0.6
57.03433	0.9
61.02925	1.0
67.05498	0.6
69.03439	3.0
69.07062	1.2
69.68624	1.7
70.06591	0.7
72.08147	0.5
73.02911	0.6
81.03416	1.2
82.06573	1.1
84.11787	0.3
85.02439	0.6
85.02909	6.8
87.04475	0.6
93.07047	1.4
95.07339	0.5
95.08607	1.9
96.04493	3.5
96.08141	2.4
97.02893	2.8
97.05289	2.2
97.06539	1.8
98.12579	0.4
99.04461	0.8
100.07623	1.3
109.02883	0.8
110.06046	5.5
110.09693	3.9
111.08047	0.7
120.08088	1.0
121.06507	0.8
125.08411	0.9
126.09151	8.3
127.03934	1.0
138.09151	19.9
139.03923	0.7
139.07562	1.2
145.04955	0.9
156.10207	100.0
157.10503	0.5
168.10237	1.0
180.10239	0.6
198.11269	0.9
222.11243	0.5
318.15585	1.0
343.20551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	Pochonin F
Peak:m/z	Relative Intensity
53.03931	5.4
54.24771	1.1
55.01870	6.4
55.05500	4.7
57.07061	1.3
65.03931	4.8
67.05505	17.3
68.05026	1.6
69.03419	5.1
69.07072	9.1
70.06590	7.5
70.45836	2.6
70.46179	1.5
73.02917	1.1
74.74729	1.0
79.05494	79.3
81.03416	54.3
81.07059	11.0
83.04995	1.9
84.08131	3.6
84.80753	1.1
85.02880	1.5
85.06542	1.5
86.06079	1.4
91.04904	2.0
91.05477	40.6
93.03416	3.3
93.06486	2.4
93.07044	32.0
93.07636	1.7
95.01296	2.9
95.04965	32.9
95.08599	6.0
97.06524	4.3
98.21385	1.7
103.05463	4.0
105.04517	1.6
105.07029	37.7
105.97585	1.3
107.04942	4.3
107.08591	53.1
109.02866	2.8
109.06505	3.2
109.10190	2.7
115.05437	3.2
117.07043	11.9
119.04912	3.3
119.08580	17.7
121.02858	16.8
121.05671	2.2
121.06506	36.6
121.10155	1.8
123.04427	8.4
123.08074	1.9
125.06003	2.4
128.06207	5.3
129.06993	8.8
129.10248	3.8
130.07806	1.3
131.04936	5.4
131.08577	16.3
133.06523	7.7
133.10130	28.4
135.04376	2.2
135.08064	1.8
135.11687	1.4
137.05966	2.9
140.23564	1.2
141.06964	5.8
142.07780	3.0
143.08562	21.1
144.05681	1.6
144.09363	1.4
145.06500	12.8
145.10126	13.7
147.04416	7.8
147.08031	6.4
147.11635	2.0
149.06000	9.5
149.09596	2.2
151.07541	5.1
153.07013	2.4
154.07822	2.8
155.08548	10.0
157.06471	4.1
157.10129	13.1
159.08038	22.5
159.11703	5.0
161.05981	73.3
161.09612	100.0
165.05476	8.6
165.07010	4.3
165.09143	1.8
166.07796	2.7
167.07317	1.7
167.08559	9.1
168.09329	2.9
169.06528	4.2
169.10130	6.7
171.08075	12.3
171.11696	2.5
172.94511	1.4
173.09612	5.4
175.07541	5.1
175.11082	1.9
177.09094	6.2
178.99716	1.5
179.08578	6.3
181.01352	6.8
181.06505	2.4
181.10077	7.3
182.10909	2.9
183.07993	4.8
183.11705	5.3
185.09570	8.5
185.13210	1.4
187.07520	1.5
187.11194	2.0
189.09171	2.9
191.08678	1.7
192.09338	5.2
193.10129	3.8
194.10820	2.2
195.08060	6.0
196.08862	1.4
197.09595	4.8
197.13280	7.1
199.11229	1.8
202.07724	2.3
203.08794	1.2
203.10677	4.0
205.06714	1.3
205.08528	2.1
207.06491	1.3
207.11768	10.0
209.09647	2.2
209.13322	2.2
210.10486	2.2
211.07475	2.4
211.11183	9.2
213.05490	1.1
213.09207	2.5
213.12749	1.4
217.10251	2.5
219.11719	1.5
220.08873	2.7
221.09657	1.7
222.10483	1.6
225.09216	2.3
225.12752	20.6
227.10709	2.9
227.14406	3.1
235.08875	2.2
235.11168	21.4
237.09052	1.9
237.12633	7.8
238.10072	1.7
250.16299	1.3
253.12254	23.4
255.13768	5.2
257.11807	1.5
263.10666	2.6
271.13278	49.6
274.04681	1.3
281.11740	15.6
291.05237	1.3
299.09653	1.8
299.12772	53.7
301.03439	2.8
302.04132	10.0
317.06662	14.5
317.10553	2.9
317.13843	52.3
317.17612	2.9
317.21106	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	317.1021
Annotation	Hernandial
Peak:m/z	Relative Intensity
53.03942	0.3
54.22039	0.2
55.01870	1.0
55.05533	0.5
65.03953	0.4
67.05502	0.9
68.99804	0.7
69.03429	18.2
69.07073	0.3
70.06593	0.9
70.08936	0.9
71.33348	0.2
73.72711	0.2
77.03915	0.5
79.05494	0.8
81.03431	0.2
81.07050	0.9
83.04987	0.3
84.08145	0.8
85.02901	0.8
91.05478	2.6
93.07066	0.4
95.01353	0.3
95.04971	1.5
95.08595	0.3
97.02886	0.3
97.06519	0.4
100.01997	0.2
103.05474	0.4
105.03398	0.5
105.07026	0.5
107.04956	2.7
109.02921	0.3
109.06506	0.8
111.04466	0.6
115.05504	0.5
119.04938	6.4
120.08119	0.3
121.06525	0.4
123.04428	49.7
124.04739	0.2
125.06011	0.7
127.03891	0.3
129.10255	0.5
131.04912	0.3
133.06485	0.7
133.10165	0.3
135.04401	0.3
137.02335	0.6
137.03416	0.2
137.05994	1.9
139.03932	0.4
141.05473	2.4
143.04913	1.3
147.04408	20.1
148.04761	0.3
149.05968	1.9
151.03880	0.3
151.07553	0.4
153.01872	0.5
153.05469	5.9
158.06009	0.2
161.05981	5.7
163.03888	0.6
165.05472	100.0
166.05806	1.2
177.05470	3.6
179.07018	2.4
189.05438	1.8
193.04994	0.4
195.06528	3.4
207.06531	5.7
215.07010	0.3
240.26627	0.3
274.04544	0.3
299.09241	1.5
299.12915	0.2
302.04221	0.7
309.24600	0.2
317.06564	3.0
317.10147	22.9
318.10443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.55700	0.7
51.26575	0.6
53.03934	0.8
55.05519	3.5
55.86731	0.8
56.05034	10.1
57.03432	1.0
57.07077	9.2
60.04525	91.6
67.05508	6.6
69.07079	4.8
69.17583	8.4
70.06581	2.6
71.08633	4.4
72.04507	2.6
74.06082	18.2
80.31377	0.7
81.07059	6.7
82.06583	1.9
83.08608	3.1
85.10204	1.2
86.06075	0.9
88.07629	38.5
90.05546	0.8
91.05476	1.5
93.07045	2.5
95.08597	7.9
97.10185	1.7
102.05543	2.0
105.07023	1.1
107.08592	1.9
109.10145	2.4
112.07645	1.1
116.07105	1.1
119.08572	0.9
120.06579	2.1
121.10160	1.8
122.76553	0.7
133.10095	0.8
250.25264	1.3
270.27899	12.2
280.26361	11.1
298.27390	12.6
316.28494	100.0
316.32019	7.9
317.28979	1.2
339.15787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1022
Annotation	Hernandial
Peak:m/z	Relative Intensity
51.02385	0.3
51.88281	0.3
53.03955	0.4
55.01861	1.4
55.05508	0.8
59.87340	0.3
61.62030	0.3
65.03942	0.8
67.05511	1.3
68.99792	0.8
69.03428	18.9
69.07059	0.6
69.58823	1.8
70.06590	1.0
77.03910	0.6
79.05484	1.1
81.03422	0.7
81.07063	2.0
83.04967	0.5
84.08131	1.3
85.02904	1.0
86.06063	0.5
91.05475	4.3
93.03376	0.6
93.07045	0.8
95.01315	0.4
95.04961	2.0
95.08597	0.8
97.02901	0.5
97.06550	0.5
103.05464	0.5
105.03379	1.0
105.07009	1.1
107.04946	2.9
107.08582	0.8
109.02860	0.6
109.06519	0.9
109.10156	0.4
111.04441	0.7
111.08047	0.3
115.05453	0.4
119.04942	7.3
120.08061	0.3
121.02877	0.3
121.06484	0.5
121.10046	0.3
123.04426	57.5
124.04768	0.7
125.05978	0.8
127.03892	0.3
129.10251	0.8
131.04924	0.8
133.06493	0.8
133.10170	0.4
135.04399	0.7
136.07545	0.5
137.02353	0.8
137.05969	2.5
137.13271	0.5
139.03880	0.4
141.05438	2.7
143.04930	1.7
147.04405	22.9
147.11639	0.4
149.05969	2.0
151.03865	0.8
153.01836	2.4
153.05467	7.6
159.11717	0.3
161.05986	6.2
163.03920	1.3
165.05472	100.0
166.05809	1.1
167.07016	0.4
177.05490	3.1
179.07022	3.5
183.74860	0.3
189.05438	2.5
191.03366	0.8
193.04895	0.6
195.06525	4.6
207.06506	7.5
213.09033	0.3
215.06978	0.6
217.04895	0.8
218.05603	0.4
228.04129	0.5
229.04997	0.5
233.63605	0.3
245.04440	0.7
246.05154	0.3
249.07552	0.3
253.08292	0.4
257.04333	0.7
260.03012	0.3
273.03775	0.4
274.04675	0.7
281.07962	0.5
285.03912	0.7
289.90881	0.3
299.09146	1.9
302.04184	3.7
317.06479	13.6
317.10159	30.3
318.06540	0.4
318.10471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.05511	4.3
56.05045	4.6
57.03440	0.6
57.07078	1.5
60.04527	100.0
67.05505	7.7
68.05016	0.7
69.07069	4.9
70.03481	2.4
71.08632	1.1
72.04512	1.8
74.06093	2.5
79.05508	3.5
80.05025	0.6
81.07055	8.1
82.06586	1.5
83.08643	3.7
84.08113	0.6
86.06054	0.6
87.04429	0.6
90.05594	1.1
91.01601	0.5
91.05486	2.0
93.07050	2.5
94.06571	1.2
94.98129	0.5
95.08611	7.1
97.10202	1.4
105.07034	0.9
107.08588	1.8
108.08134	0.6
109.10130	2.7
111.11757	0.7
119.08598	1.1
120.78778	0.6
121.10138	1.0
123.11710	1.3
133.10071	0.7
135.11737	0.9
137.13235	0.8
212.35718	0.5
215.36868	0.5
250.25226	0.7
262.25293	1.5
268.26398	1.3
280.26382	11.5
298.27435	11.9
316.28461	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.76392	0.6
52.06995	0.6
55.05516	3.8
56.05027	4.0
57.07070	0.8
60.04528	100.0
67.05511	6.1
69.07079	3.9
69.84377	2.7
69.84783	1.2
70.06590	1.1
71.08629	1.0
72.04525	2.7
73.48700	0.6
74.06084	2.6
74.22435	0.6
76.09120	0.8
79.05502	2.8
80.05021	0.9
81.07064	6.5
82.06583	1.3
83.08636	2.7
87.64217	0.6
90.05557	1.5
91.05486	1.9
93.07036	3.0
94.06519	0.8
95.07339	0.7
95.08604	6.8
96.08087	0.7
97.06532	1.5
97.10179	1.3
98.21471	0.7
105.07057	1.3
107.08585	1.5
109.10161	3.0
119.08590	1.5
121.10157	1.5
123.11749	1.0
135.11673	1.2
135.98807	0.6
250.25418	1.2
262.25262	2.2
280.26349	12.7
298.27377	12.4
316.28461	36.5
324.82758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2231
Annotation	Leu Ala Ile
Peak:m/z	Relative Intensity
57.05810	0.4
69.07070	7.9
70.06589	1.8
71.49673	1.1
72.08152	0.8
74.00652	0.4
74.55450	0.5
79.57167	0.4
84.08118	1.2
86.09708	100.0
91.05494	0.6
123.04454	0.9
129.10291	0.7
130.06499	0.8
130.07368	0.6
132.10210	9.3
157.07658	0.8
157.13367	27.2
163.03819	0.7
165.05557	1.5
185.11192	1.0
185.12860	20.2
199.18080	1.2
203.13919	10.0
203.15636	0.8
300.12018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72721	0.5
56.05059	0.5
67.05521	0.6
69.03410	0.9
69.07069	1.7
69.79851	3.0
70.06600	4.2
72.08157	0.5
77.12337	0.5
79.49230	0.5
81.07067	0.5
83.20519	0.4
84.04514	1.0
84.08152	3.1
85.02928	0.8
86.06086	1.4
86.09710	100.0
88.03963	0.5
91.05479	1.4
116.07117	0.5
119.04990	0.6
120.08080	0.9
123.04365	1.0
129.10237	1.8
130.06516	0.9
132.10207	11.3
136.07587	0.5
144.06570	0.6
147.04362	0.8
154.05052	0.9
157.07632	1.5
157.13368	27.7
165.05463	3.1
185.12865	20.5
195.02953	1.5
196.03290	1.3
199.18123	1.1
203.13911	13.1
267.06799	1.3
270.07443	0.6
273.19696	1.1
292.15671	0.4
299.10202	0.6
316.07831	4.5
316.16553	0.8
316.22549	0.5
317.06638	0.9
317.10657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
55.33739	0.4
57.07077	0.3
64.00121	0.3
67.05512	1.7
68.05027	2.6
68.10051	0.4
69.07073	2.3
70.06207	0.5
70.06597	10.2
70.95269	0.6
70.95602	0.4
71.04980	0.9
73.51099	0.3
74.02446	0.4
74.71313	0.3
80.05037	0.6
81.07063	5.3
83.08611	0.7
84.08153	0.4
86.06051	0.4
86.84430	0.4
88.07593	0.4
91.05486	3.1
93.07063	3.1
93.36085	0.3
94.06549	0.5
95.04938	0.4
95.08602	5.2
96.08145	1.6
100.07629	5.6
105.07037	19.6
107.08598	3.1
108.08115	1.5
109.10164	1.8
110.09707	0.5
114.05546	2.1
115.05494	0.4
116.07094	0.9
117.07027	1.3
119.08583	11.7
120.08092	0.4
121.10175	1.7
122.09673	2.4
123.11783	0.4
126.09105	0.3
128.06229	0.7
128.07086	6.7
130.07793	0.4
131.08563	3.3
133.10133	7.5
137.13246	0.4
140.07123	0.6
140.10693	0.6
142.08638	4.2
144.09328	0.5
145.10133	7.6
147.11703	4.0
148.11165	0.8
151.06302	0.4
154.08626	4.0
157.10156	0.5
159.11676	4.2
160.12451	1.0
161.13309	1.2
161.96594	0.4
168.10214	16.5
171.11755	0.5
173.13261	1.9
175.14842	11.3
178.08624	4.0
180.10201	0.5
182.11806	0.8
186.12711	0.5
186.14175	0.4
187.14822	0.9
188.14308	0.5
192.10234	1.1
193.11043	0.6
194.11757	2.1
200.14368	0.4
201.16377	6.8
202.15862	2.3
203.18045	1.3
220.13608	0.4
229.62206	0.4
232.13315	1.2
233.14156	0.9
234.14920	0.6
246.14909	0.9
247.15700	1.9
254.24898	0.8
256.20590	1.1
260.16418	1.9
272.16379	0.5
286.18039	8.2
301.20383	3.2
316.22736	100.0
316.28653	2.4
317.23038	1.6
337.60123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1754
Annotation	cis-7-carboxyhept-2-enoylcarnitine
Peak:m/z	Relative Intensity
53.18420	1.1
55.01865	2.5
55.05501	6.4
57.03445	2.1
58.82314	1.1
60.04524	100.0
67.05505	11.4
69.03423	2.1
69.07068	7.8
70.02941	4.3
70.06599	7.2
70.85278	2.5
71.04988	1.8
79.05499	7.9
80.00490	1.1
81.07051	42.4
83.04979	4.2
83.08616	3.7
84.04497	1.8
84.08139	3.6
85.02930	1.4
85.06529	2.8
86.06065	1.9
86.09692	2.0
88.03989	45.9
91.05473	13.4
93.07031	6.8
95.08620	8.1
97.06522	3.5
99.08119	1.3
105.07031	15.6
106.05026	95.5
107.08566	6.6
109.10130	1.7
117.70117	1.2
119.08591	16.3
121.06504	1.6
121.10135	11.6
123.04443	1.7
123.11706	14.1
127.07571	1.9
129.10231	2.5
130.06490	1.8
133.10141	3.2
137.13292	2.1
147.11687	35.7
165.05525	2.0
165.12738	18.2
167.22815	1.1
175.08835	1.2
183.13791	2.3
193.12231	1.4
198.65842	1.3
198.67625	1.3
206.15437	3.6
224.16524	2.2
229.14258	3.6
234.14905	17.8
252.15935	29.7
262.14352	1.6
270.17023	11.4
280.15457	12.5
298.16476	45.1
316.08444	1.8
316.17505	9.7
316.22803	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1756
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
51.96423	1.0
53.03930	1.4
55.05504	3.7
57.03424	1.5
60.04527	100.0
64.42155	1.2
67.05183	1.1
67.05505	13.0
69.07076	5.1
70.02940	2.2
70.06577	3.1
71.04972	2.6
71.49891	0.9
79.05500	8.1
81.03387	0.9
81.07055	40.3
83.04962	3.0
83.08596	2.9
84.04469	0.9
84.08125	2.2
85.06540	2.0
86.06045	1.6
88.03492	1.4
88.03996	20.7
91.05475	10.5
93.07047	6.1
95.04955	1.4
95.08590	6.3
96.04491	1.9
97.06525	2.9
98.72433	0.9
99.08099	2.2
105.06396	1.6
105.07035	18.4
106.05032	80.0
107.08596	6.1
109.06533	2.0
111.08095	1.3
116.85814	0.9
119.08602	12.1
121.10136	11.0
123.04423	2.8
123.08038	1.2
123.11721	12.6
124.07542	1.5
133.10109	3.5
136.07524	1.5
142.04987	1.2
145.10205	1.3
147.11687	29.7
157.10085	1.3
165.05472	3.5
165.12753	15.6
175.11200	1.2
183.13855	1.3
193.12245	2.0
203.33345	0.9
206.15443	6.9
224.16438	2.5
229.14362	2.7
234.14915	20.3
252.15942	36.6
270.17047	5.6
280.15436	14.3
298.16476	43.5
316.08914	1.6
316.12439	1.0
316.17389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13274	1.3
54.93836	4.8
56.96563	10.8
62.78370	1.0
69.96175	36.2
71.48480	1.8
95.44038	1.1
98.97579	34.4
100.99158	1.9
101.00887	1.2
113.95148	1.8
116.98624	19.1
117.63248	1.1
119.01917	2.9
130.93280	1.3
131.96152	21.8
134.99677	4.7
139.00685	2.9
141.02252	8.0
145.01762	2.5
149.97212	17.2
157.01720	1.2
158.99994	1.1
159.03296	5.0
161.01189	1.2
163.02782	4.7
169.01761	1.9
172.94199	1.5
177.00914	5.8
177.04376	1.2
178.01143	1.6
179.00807	1.9
181.03847	1.7
182.99841	1.3
185.01208	5.6
189.95230	3.7
190.94862	6.5
196.95154	1.0
201.00896	5.0
203.02368	7.4
205.03931	1.7
205.94637	1.5
207.96320	10.4
208.95927	7.1
213.95270	2.2
216.98723	1.5
219.02007	15.1
220.02122	2.5
221.01746	4.4
229.03835	2.8
230.93318	1.9
231.96275	9.4
232.95944	9.4
233.03587	2.2
243.02005	2.5
247.05006	1.6
248.94214	3.3
249.97375	27.2
250.97076	5.4
255.05501	1.2
255.96190	4.8
260.00064	1.1
261.02982	5.5
263.02902	4.8
266.95227	2.7
273.03049	2.5
273.06610	7.4
273.97287	64.5
274.97485	3.3
277.01056	1.7
278.01080	1.8
279.13721	1.2
290.95395	5.6
291.04395	2.0
291.07718	5.4
291.98355	100.0
292.98471	2.3
296.98801	1.2
314.95273	17.3
314.99835	3.1
315.07510	49.5
332.96323	14.4
333.05197	1.4
333.08548	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31577	0.6
55.05500	1.2
56.05031	1.0
69.03427	1.6
69.07060	1.6
70.06575	3.0
70.45660	1.2
70.46033	1.2
72.08154	4.3
74.91428	0.7
79.05474	0.8
81.07047	1.9
84.04499	1.4
84.08158	3.8
86.06106	1.2
86.09712	36.3
91.05471	1.6
93.07034	1.3
105.07057	1.1
108.08092	0.8
109.06528	2.0
121.10116	0.8
123.04430	3.8
124.07603	0.7
126.09173	1.2
129.10265	1.1
130.06593	0.8
137.05960	1.0
139.06319	1.2
147.04431	1.3
149.09610	2.0
154.08640	100.0
157.07751	0.9
165.05463	6.5
173.10760	1.5
177.09100	3.4
185.16522	0.9
195.10242	5.1
199.18092	7.5
203.14000	2.3
207.06577	0.9
213.16116	1.1
227.17604	2.1
270.11685	2.7
288.14456	0.7
299.09601	2.5
316.05713	3.0
316.11966	5.6
317.10278	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39477	1.1
55.05502	5.0
56.05027	4.3
57.03437	1.4
57.07074	6.8
59.50436	1.1
60.04527	100.0
64.43831	1.1
67.05507	8.8
69.07068	3.7
70.06575	1.3
71.08622	3.1
72.04504	2.0
74.06071	2.3
79.05494	11.0
80.05010	2.1
81.03422	2.8
81.07059	7.9
82.06584	2.4
83.08617	3.7
83.65167	1.1
85.10172	2.6
91.05501	5.5
93.07051	7.1
94.06559	2.8
95.04936	1.5
95.08607	8.5
96.08143	2.3
97.06548	1.4
98.20776	3.4
105.07023	2.8
107.08576	3.0
109.10152	2.9
112.07659	1.3
119.08601	1.6
121.10138	3.9
122.09683	1.4
124.89924	1.0
131.08549	1.7
133.10097	1.2
134.08357	1.2
135.11745	1.5
140.25917	1.2
141.92371	1.3
145.10013	1.6
151.07472	1.3
161.81239	1.1
218.47946	1.1
223.20625	1.1
248.23676	2.3
260.23804	1.3
278.24820	10.1
296.25812	12.2
298.10690	2.4
299.11349	1.4
303.92770	1.1
314.07477	8.1
314.14096	5.5
314.26910	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	314.2689
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05511	3.7
56.05032	2.7
57.03438	1.0
57.07074	2.9
60.04527	100.0
67.05506	13.6
69.03439	0.7
69.07067	4.1
70.06593	1.3
71.08621	1.2
71.49042	0.6
71.49476	1.4
72.04519	3.9
74.06084	1.5
79.05495	5.7
80.05013	1.1
80.37328	0.6
81.07057	9.0
82.06601	1.5
83.08642	1.7
90.05492	0.9
91.05486	5.5
93.07050	6.9
94.06638	1.0
95.05003	0.9
95.08613	6.7
97.10161	1.0
105.07042	1.7
107.04974	0.9
107.08578	3.0
109.10170	3.0
110.06063	1.3
112.07598	1.1
115.05490	0.7
116.98763	0.7
117.07040	2.4
119.08600	2.2
120.08098	0.9
121.10130	3.4
123.11710	1.1
131.08586	2.5
133.10126	0.6
135.11693	1.6
145.10141	1.2
149.13284	0.8
158.11565	0.6
248.23892	1.3
260.23758	0.8
278.24707	3.7
285.80759	0.6
296.25772	5.4
298.10791	2.2
299.11786	0.8
314.07361	4.1
314.13843	4.3
314.26913	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	314.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56245	0.4
53.44703	0.4
57.07071	3.9
57.93937	0.4
58.06604	2.6
61.48837	0.4
67.05503	1.0
69.03406	0.7
70.06577	1.6
71.30065	0.6
72.04517	8.1
72.08155	7.4
72.59505	0.4
79.05499	1.0
81.03408	0.5
81.07053	1.4
84.04502	0.5
84.08149	1.7
86.09686	0.6
91.05482	1.2
93.07027	0.6
95.08607	0.8
99.09219	1.3
100.07614	100.0
101.49744	0.4
105.07040	2.4
107.04916	0.4
107.08601	0.6
109.02818	0.6
109.10178	1.2
112.11282	1.2
117.10247	0.6
119.07302	0.5
120.08089	1.5
121.02834	1.0
121.68517	0.4
127.11185	3.7
130.06540	1.0
137.06001	0.6
144.13791	0.7
147.34158	0.4
149.02364	0.5
151.03851	1.2
152.04233	0.8
161.06012	0.5
163.03889	0.8
165.05383	1.1
166.05833	0.7
171.14935	1.7
184.16954	1.2
191.03413	0.8
198.18533	11.0
215.21147	1.1
221.10820	0.5
222.12814	0.5
228.07275	0.5
255.10532	0.4
256.06952	1.0
266.05096	0.5
268.06873	1.4
268.13293	1.0
270.18491	1.5
283.09753	0.5
284.06357	1.7
285.07117	4.7
296.06219	1.1
296.26913	1.4
297.25238	2.7
298.10770	1.2
299.11484	0.9
314.07428	21.5
314.13742	2.2
314.17688	1.3
314.21570	1.9
314.28009	82.3
315.08273	0.9
315.12579	0.5
315.28308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.7
55.05502	0.6
57.03426	0.8
65.03886	0.6
67.05492	1.4
69.07044	1.2
70.05470	1.2
70.05869	1.2
70.06599	2.8
72.08132	1.0
73.33680	0.6
74.06062	0.6
79.05496	5.2
81.03410	1.2
81.07036	1.1
84.04467	1.0
84.08116	0.9
85.02879	0.9
86.09669	2.1
91.05480	8.5
93.07027	2.1
94.67459	0.5
95.08604	0.8
97.02828	0.7
100.11251	0.8
103.04806	0.9
103.05466	16.1
105.07040	7.8
106.06558	4.5
107.04969	5.8
109.02869	0.7
109.06417	0.5
110.07047	0.5
115.05531	0.7
118.06567	3.6
119.04939	0.8
119.07328	16.7
119.08582	1.3
120.08105	34.3
121.02832	2.2
121.06467	2.1
121.08434	0.6
122.03183	1.6
123.04430	1.2
124.04788	0.6
129.10173	0.6
130.06528	51.1
131.04942	4.8
131.07318	13.5
132.08095	0.8
133.10107	1.3
137.05946	1.0
138.06274	0.7
144.08064	2.5
145.02808	0.7
149.02310	0.7
149.05975	1.6
150.02675	1.0
151.07538	1.1
152.07979	0.6
163.03983	0.7
167.03391	1.3
168.03862	1.1
176.07079	1.2
178.02052	0.6
185.75949	0.6
195.02975	1.0
196.03192	0.6
196.05807	0.6
203.08604	1.4
204.09375	1.0
205.10152	6.6
220.11194	2.1
222.12773	28.3
223.12961	0.8
237.41364	0.6
240.07458	1.0
256.06866	0.7
257.07584	1.2
268.07135	5.1
268.13318	100.0
269.13629	1.4
271.05524	1.2
284.06393	5.3
285.07129	8.4
286.08405	0.5
296.06226	3.3
298.10779	1.7
299.11447	0.9
314.07410	48.0
314.13770	13.9
314.17609	1.2
315.07925	0.9
331.16422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
61.02919	2.4
61.05903	1.5
65.03944	3.0
69.03411	6.5
69.07030	2.2
69.73891	1.4
69.78829	7.4
70.06265	2.2
70.06596	27.0
71.04994	11.0
73.39761	1.3
81.03419	3.8
84.04494	2.3
84.08141	8.6
85.02534	1.3
85.02911	16.6
89.06031	100.0
93.03377	2.8
95.06048	1.5
97.02889	26.1
98.20841	2.1
99.04440	3.4
107.04993	2.0
108.08123	4.7
109.02864	2.2
110.07156	2.0
111.04441	7.1
112.04777	3.5
112.07613	13.4
112.08752	2.2
114.10263	2.3
116.07068	3.3
127.03927	3.0
132.08052	1.5
134.06018	2.7
135.04414	1.7
135.06531	34.4
136.06181	51.4
137.90756	1.4
138.05479	2.9
139.03880	7.0
140.04243	6.4
140.07066	4.8
145.04962	2.9
152.07040	4.8
153.05392	1.5
158.09254	2.3
164.05701	3.6
175.11865	4.1
179.03659	1.6
225.03780	2.3
251.13809	1.8
296.07813	2.5
314.09067	4.6
314.12427	4.6
314.18225	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.3
57.03438	24.5
57.07077	73.0
60.08169	1.4
65.09559	1.1
65.38913	0.8
67.05505	18.0
67.05841	1.3
69.07074	12.0
69.28104	8.5
71.05009	1.5
71.08633	41.3
72.99072	0.9
79.05493	3.1
81.07062	23.6
81.37941	0.9
82.02347	1.1
83.08623	17.3
85.06560	2.5
85.10188	23.6
89.06048	3.6
91.05489	2.3
93.07023	6.7
94.05334	1.0
95.08614	28.5
97.06545	1.0
97.10172	6.7
98.21481	1.6
99.11742	1.8
105.07040	4.4
107.08594	5.4
109.10165	12.8
111.08093	1.4
111.11720	1.9
119.08606	3.0
121.10162	3.6
123.11712	5.8
125.13271	1.1
131.08588	2.6
133.10173	2.4
135.11699	1.4
136.77989	1.0
137.13260	2.1
143.08614	1.5
145.10201	3.8
147.11726	2.4
149.13310	1.3
157.10211	2.1
159.11754	3.9
161.13278	1.8
161.24178	0.9
169.10121	1.0
171.11765	2.1
173.13338	3.7
185.13231	2.2
187.14928	2.2
197.13388	1.7
199.14781	1.4
201.16368	1.8
213.16479	2.9
215.18008	2.5
225.16490	1.1
233.37875	1.0
239.18140	1.0
239.23643	5.4
257.24756	9.1
295.24261	5.0
313.07199	2.4
313.27533	100.0
313.36526	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	313.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.05499	1.8
57.03440	0.9
57.07060	2.8
58.71839	0.6
65.03934	3.1
67.05494	2.7
69.07037	1.3
71.08639	1.3
71.17741	1.7
75.61952	0.7
79.05494	2.3
81.03436	1.2
81.07056	2.5
83.08603	1.0
91.05489	23.0
93.07055	8.4
95.04955	2.3
95.08607	3.4
100.15337	0.7
103.05470	2.2
105.07027	5.2
107.08571	1.9
107.49941	0.8
109.02888	0.8
109.06509	5.8
119.06071	4.0
119.08576	1.1
121.02908	1.3
121.06477	0.9
123.08080	1.8
131.08583	0.9
133.06516	12.1
133.07512	1.6
133.10071	0.9
143.08498	0.7
145.10115	1.2
149.05991	100.0
150.06343	1.0
157.10034	0.9
159.11650	1.0
160.30069	0.8
183.85474	0.9
189.09048	0.8
199.14873	1.1
255.14052	0.8
266.80652	0.7
267.06628	2.2
278.21954	0.7
283.05984	1.4
284.06772	2.5
295.06064	1.0
295.24158	1.1
313.07074	23.0
313.18335	1.1
313.21689	2.8
313.25006	1.8
313.27869	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
65.03938	2.0
69.03419	1.0
69.20411	0.5
69.20749	3.6
70.06579	0.6
72.08153	1.4
75.03477	0.3
76.03529	0.4
77.74987	0.3
82.06565	0.4
84.08134	0.4
88.03960	0.9
89.03913	0.4
91.05477	100.0
92.05795	0.4
93.03403	1.0
95.04964	0.4
117.56228	0.4
119.04960	0.9
121.02860	0.3
129.06969	0.7
135.04405	0.5
136.06180	0.8
137.02339	1.4
137.05989	2.2
147.04378	0.4
148.06192	2.8
151.03915	0.7
151.07530	2.5
157.06448	0.4
179.03398	2.5
187.06235	0.4
189.09079	1.7
203.03285	0.4
221.09662	0.4
226.10867	51.7
227.11139	0.6
238.10783	0.7
252.12384	1.0
253.12166	0.5
267.06561	0.6
267.13562	5.5
268.11890	1.2
269.15039	3.7
284.06586	0.4
295.06244	0.4
313.07053	23.4
313.14059	61.2
314.07236	0.4
314.14337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01890	0.7
55.05509	0.6
57.03442	0.6
58.04292	0.5
63.99100	0.4
65.03939	2.9
67.05520	0.5
69.03407	0.4
69.07069	0.8
70.78239	1.3
70.98566	0.4
71.05018	0.6
79.05483	1.5
81.03424	1.4
81.07060	2.4
85.02921	0.7
91.05486	39.8
93.03389	0.7
93.07086	0.7
94.04169	2.3
95.04976	7.2
95.08620	1.1
103.05471	2.1
105.07040	1.7
107.04955	3.2
108.05743	0.9
109.02861	1.0
109.06532	1.9
115.05476	1.5
117.07034	1.0
119.04947	25.1
119.08561	0.6
120.08050	0.5
121.02847	4.1
121.06515	1.3
122.03649	5.8
123.04453	0.9
123.08063	1.0
128.06224	7.7
129.07008	22.6
131.04941	2.4
131.08574	1.2
132.05734	0.8
133.06488	1.8
135.08040	0.6
136.05190	4.7
137.05983	67.2
138.06375	0.5
143.04909	0.8
145.02849	1.4
145.06509	2.8
146.07236	1.1
147.08031	0.8
149.02351	2.0
149.05992	1.2
151.04057	2.8
151.07549	100.0
152.07831	0.9
155.06064	1.1
156.05687	1.1
157.06509	15.2
158.07234	0.8
160.05177	1.1
161.05992	1.8
161.09628	1.5
163.03969	0.7
163.07549	3.3
165.01823	0.6
165.06992	2.2
167.03410	3.5
169.06403	0.9
174.06770	12.3
175.07564	6.1
176.08371	0.7
177.01880	1.4
177.09038	0.6
178.07794	4.2
179.06108	0.5
181.06483	1.1
189.09116	55.1
190.09407	0.8
192.09323	0.8
193.06409	0.7
193.10153	5.7
195.02905	1.4
195.05516	1.3
195.08058	0.6
197.06006	0.9
202.07800	1.8
203.08546	2.0
205.06448	1.0
206.07225	1.8
210.06628	1.2
211.07466	0.8
219.08005	0.9
220.08823	1.3
221.06134	0.5
221.09628	9.1
223.07516	1.1
224.08261	1.3
225.09100	1.8
227.07042	0.7
231.08047	1.1
234.06723	1.4
235.07556	0.6
237.09073	1.0
238.06232	0.5
238.09886	1.2
239.07054	1.5
241.08568	0.6
248.08453	0.7
249.09152	8.5
250.09828	0.8
251.06970	0.7
253.08510	0.9
253.12231	10.9
253.14873	0.6
255.06439	1.6
256.07239	1.7
263.10638	1.0
266.09286	1.1
267.06555	6.4
267.09796	0.9
269.07962	3.9
270.05173	2.6
271.05896	0.6
272.10452	1.3
281.08862	0.9
281.11740	8.3
283.05994	5.8
284.03854	0.9
284.06772	9.9
284.10385	2.3
285.08215	1.9
285.11331	0.5
295.05994	4.2
313.07068	61.8
313.14337	37.1
314.07483	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0702
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
53.03942	0.2
55.01863	0.1
55.54238	0.1
57.03434	0.2
65.03944	0.9
67.01865	0.3
68.99774	0.6
69.52581	0.4
69.52967	0.1
73.86218	0.1
79.29266	0.1
81.03414	1.3
83.01342	0.1
85.02908	0.8
88.85577	0.1
91.05484	0.4
93.03408	0.8
95.01373	0.1
95.04971	0.3
97.02888	0.1
104.73399	0.1
105.03396	0.3
107.01311	0.2
107.04975	0.1
109.02888	1.1
110.03641	0.1
111.00761	0.1
111.04433	0.1
118.04148	0.2
119.04114	0.1
119.04942	2.0
120.05760	0.1
120.08088	0.2
121.02869	6.2
122.03227	0.1
123.00796	0.1
123.04405	0.1
124.01598	0.1
125.02349	0.3
127.03954	0.1
129.38858	0.1
131.04898	0.2
133.02855	0.4
135.00816	0.1
138.03127	0.8
141.01782	0.1
141.06906	0.1
145.02844	2.4
145.90427	0.1
147.04430	0.2
149.02342	5.5
150.02699	0.1
151.03815	0.1
152.01010	0.2
153.01837	0.9
157.06393	0.1
163.03883	0.9
165.01843	1.6
165.06987	0.3
166.02635	0.7
167.03409	4.6
169.06448	0.1
170.02058	0.1
171.02878	0.1
173.06020	0.1
177.01837	3.3
181.06483	0.2
183.02898	0.3
183.08063	0.3
184.03679	0.3
187.03915	0.3
195.02902	3.1
197.06027	0.2
199.07571	0.2
202.06288	0.2
203.07054	0.1
210.06839	0.1
211.07503	0.5
212.65129	0.1
213.05545	0.3
215.07086	0.3
221.05878	0.1
225.05356	0.1
227.07060	0.4
228.07790	0.3
229.04955	2.2
238.06310	0.1
239.07034	1.8
241.04837	0.1
241.08644	0.1
242.05760	1.0
243.06467	0.1
247.06070	0.2
249.05646	0.1
253.04977	0.2
254.35176	0.1
255.06494	1.7
256.07294	2.2
257.07898	0.2
266.05890	0.3
267.06525	12.6
268.06784	0.1
269.04449	0.8
269.08011	0.2
270.05240	4.3
271.05856	0.1
283.06012	10.8
284.06790	15.9
285.07480	1.4
295.06015	8.9
296.06287	0.1
313.07043	100.0
314.07446	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	312.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54520	0.2
55.81480	0.2
56.96555	0.3
57.03428	0.4
60.05643	1.3
67.32922	0.2
70.06600	2.5
70.75968	0.6
71.04994	0.4
81.03410	0.4
85.02914	0.4
86.03696	0.5
92.05008	0.9
94.06579	1.7
96.04473	0.3
97.96816	0.3
98.97589	0.5
108.01453	0.2
109.02839	0.3
110.06036	0.7
110.97504	0.2
116.07097	0.6
127.03907	0.3
138.05505	100.0
139.05804	0.4
140.98531	0.2
175.11900	3.9
205.05376	0.2
205.55692	0.3
207.55368	0.3
214.06068	0.4
214.56299	0.3
223.06586	0.4
223.56772	0.6
224.06628	0.4
232.07037	0.3
232.57280	0.4
269.05511	0.3
306.48508	0.2
311.60089	1.9
312.10129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54280	1.3
53.03942	2.7
55.05515	37.3
57.03434	2.5
57.07080	35.2
59.04986	1.6
67.05509	46.5
69.03421	1.9
69.07072	68.6
69.34127	11.0
70.06586	3.4
71.04992	2.0
71.08630	7.5
78.12177	1.3
79.05499	15.3
80.15998	1.4
81.07060	100.0
83.04966	2.7
83.08625	32.5
84.08155	1.4
85.06548	49.3
85.10162	1.5
86.09695	1.8
87.10090	1.4
91.05481	3.8
93.07045	19.5
95.04985	2.8
95.08611	72.4
97.06541	2.1
97.10174	23.2
98.20958	5.1
99.07495	2.5
99.08101	34.7
100.11252	9.1
105.07014	3.2
107.04954	2.9
107.08614	14.2
109.10165	48.1
109.17233	1.3
110.06091	3.1
111.04441	1.7
111.08071	7.0
111.11728	10.0
113.09650	2.8
115.05489	1.6
119.08572	1.8
121.06559	1.4
121.10172	10.2
123.11719	23.2
125.09613	2.3
125.13290	3.3
125.73610	1.4
131.08511	1.6
133.10149	1.6
135.11714	10.6
137.05965	7.7
137.13251	10.5
147.04419	1.5
149.13275	12.9
151.14844	5.3
153.12801	1.6
159.08041	1.7
161.06038	1.5
163.11176	1.7
163.14827	5.3
165.01849	3.6
165.07004	1.5
165.16338	2.8
168.13792	2.0
169.14101	1.5
179.17999	2.0
182.15411	3.6
183.17389	1.6
187.07549	3.6
191.08553	2.5
191.18141	1.6
193.19449	1.8
196.13251	2.6
199.18062	2.4
204.66470	1.5
205.19498	2.4
209.11754	1.5
209.56274	1.2
219.08017	4.2
219.21162	1.5
237.11304	2.0
247.07471	2.1
247.62361	1.3
248.27179	1.4
251.06967	1.8
251.10742	5.9
264.07834	1.7
275.27328	2.9
279.10153	5.9
283.06052	18.0
293.25391	2.1
293.28387	12.2
311.05646	16.1
311.09335	4.4
311.12979	9.5
311.23618	3.2
311.29532	29.3
312.05814	1.7
312.09167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	Phytenic acid
Peak:m/z	Relative Intensity
53.03937	2.2
55.05512	30.1
57.03429	3.3
57.07077	40.3
65.03931	1.4
67.05507	33.3
68.07125	0.9
68.81216	0.9
69.07072	55.2
71.04973	2.9
71.08634	5.6
71.48848	1.2
71.49274	1.1
73.06525	1.1
77.58834	1.2
79.05492	14.4
79.09725	1.0
81.07057	100.0
83.04964	1.4
83.08620	31.1
85.06544	49.9
85.10182	1.7
91.05466	4.6
93.07046	16.6
95.04987	1.1
95.08607	77.5
97.06508	2.4
97.10168	18.1
99.08096	29.6
100.11253	1.4
105.07027	3.0
107.04959	1.7
107.08609	11.2
109.10157	46.2
111.08073	6.2
111.11710	10.1
113.09644	2.2
119.08573	2.1
121.10133	10.4
123.11718	24.8
125.09644	1.6
125.13277	2.6
129.12807	1.3
131.08574	1.1
135.11699	10.3
137.05972	4.5
137.13269	9.7
141.12698	1.3
145.10153	1.2
149.13240	10.5
151.14859	5.6
153.12781	1.6
155.14154	1.1
157.10022	1.5
163.14813	5.2
164.48380	1.1
165.01848	1.8
165.07018	1.3
165.16397	2.4
167.14252	1.0
177.16409	3.0
179.18010	1.9
191.08572	2.9
191.18050	1.5
193.19566	1.9
197.13438	1.2
205.19594	1.3
219.08089	3.3
220.08746	1.2
230.71533	1.2
237.16513	1.2
237.22234	1.4
251.10701	4.8
264.38504	1.1
275.27368	3.5
279.10193	3.4
283.06064	7.5
293.28320	6.9
311.05536	5.8
311.09372	2.1
311.12692	7.5
311.16626	1.9
311.19803	6.6
311.29449	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03936	1.5
55.01855	2.3
55.05515	58.0
57.03439	23.4
57.06805	1.0
57.07078	29.0
67.05505	12.1
69.07071	65.5
70.74686	3.3
71.08633	16.7
73.02898	1.1
79.05502	5.8
81.06658	1.4
81.07065	14.5
83.04947	1.7
83.08621	56.9
85.10197	6.5
91.05462	1.5
93.07052	9.3
93.41628	1.0
95.08611	11.0
97.06538	5.3
97.09556	2.0
97.10174	38.9
98.21610	1.2
105.06985	2.1
107.08578	5.3
109.10155	4.7
111.04441	1.4
111.08080	2.6
111.11719	13.5
121.10152	8.0
123.11729	2.0
125.09614	1.9
125.13278	2.7
135.04420	1.9
135.11696	4.7
149.13194	2.1
153.05540	1.8
163.14818	1.7
209.11720	7.7
210.77675	1.0
213.61710	1.7
219.21051	2.0
237.11276	5.5
283.05920	1.5
301.47601	1.1
311.25803	100.0
312.26154	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	311.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
65.03935	0.4
67.04241	0.7
67.05494	1.0
71.01911	0.9
78.63893	0.3
80.05025	0.4
82.06571	3.3
84.08162	0.6
86.09684	0.4
88.57793	0.4
94.06547	0.6
96.04532	0.3
106.81356	0.4
107.04964	1.0
108.08105	0.6
109.06525	1.2
110.06039	100.0
112.07603	3.2
119.04981	0.4
121.27718	0.4
122.06038	1.1
123.06830	0.4
124.07584	0.9
131.96700	0.8
135.04431	0.9
136.07588	1.1
140.07065	29.8
142.08618	2.9
147.04410	1.3
150.77251	0.3
154.05022	0.4
154.08641	3.5
156.06540	1.5
156.10168	0.3
163.03943	0.3
172.09679	2.0
186.65840	0.3
230.11734	1.0
248.12895	1.3
251.13979	0.8
257.12839	0.5
258.11172	1.1
275.13953	4.4
276.08575	0.3
276.12225	1.9
283.05972	0.6
293.14951	13.5
294.09540	0.4
311.05460	1.5
311.12375	0.7
311.15952	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	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40528	4.1
51.21534	3.1
53.03934	10.7
55.01859	9.4
55.05513	26.6
55.83125	3.0
57.03413	5.4
57.07076	22.5
67.05501	44.9
69.07066	66.8
71.50489	3.1
72.08166	5.4
79.05493	36.0
81.01884	3.2
81.03396	5.3
81.07054	53.0
81.07506	3.5
83.04972	5.3
83.08629	16.7
91.05476	44.2
93.07040	100.0
95.04965	55.0
95.08607	91.7
97.06527	31.7
97.10168	6.7
103.57364	3.0
105.07030	78.9
107.04958	4.9
107.08587	62.2
109.02872	3.0
109.06513	17.5
109.10162	39.0
111.04405	9.6
115.05447	5.2
116.06210	3.8
117.07010	21.7
119.08578	77.9
121.06510	24.5
121.10138	51.8
123.08073	21.5
123.11678	22.6
128.06137	3.6
129.06973	9.8
130.07784	4.3
131.08583	31.5
133.10138	46.0
135.04425	25.6
135.08047	9.8
135.11671	18.0
137.09592	5.7
137.13249	5.9
142.07759	7.7
143.08551	14.8
144.09322	5.1
145.10117	47.3
147.11688	27.4
149.09645	6.6
149.13248	4.6
153.05428	6.4
155.08545	7.1
156.09329	7.6
157.10156	33.4
159.08031	4.3
159.11700	45.7
161.09662	31.0
161.13255	15.6
163.11160	9.8
167.08490	5.3
169.10086	10.4
171.11702	19.7
173.13187	17.4
175.14818	11.0
177.16368	20.9
181.10042	6.8
183.11612	7.1
185.13248	11.0
187.11211	7.7
187.14786	11.9
189.16367	12.9
191.10654	6.5
195.11740	5.1
196.12422	4.7
197.13170	10.5
199.14700	6.9
201.16350	10.3
203.17987	5.0
209.11682	48.8
209.13347	5.9
211.14812	4.8
215.17947	7.6
223.14688	6.0
225.16528	3.9
227.17978	3.8
237.11214	37.1
237.16373	4.7
255.12289	8.4
255.20993	3.3
293.22699	8.1
311.05316	4.1
311.16406	11.4
311.20007	7.7
311.23483	43.1
311.26694	6.0
311.31537	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	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
65.03927	0.4
67.04242	0.8
67.05507	0.5
69.28661	2.2
70.92694	0.2
82.06575	2.6
84.08154	0.5
85.06566	0.3
91.05463	0.4
95.04994	0.4
98.21655	0.3
107.04963	0.4
108.08125	0.6
109.06488	0.6
110.06041	100.0
111.06385	0.4
112.07602	3.0
118.08621	0.3
120.16960	0.2
122.06034	1.0
124.07590	1.0
135.04428	0.5
136.07564	0.7
140.07065	30.6
142.08614	3.0
142.09601	0.3
147.04424	0.8
152.07024	0.4
154.08624	2.6
156.06557	1.7
156.10286	0.5
172.09683	2.9
193.55330	0.3
210.69656	0.3
210.99730	0.2
230.11790	0.6
247.14299	0.4
248.12915	0.6
251.13956	1.1
257.12967	0.6
258.11353	0.3
275.13919	3.0
276.12289	0.8
293.14954	10.4
311.16006	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	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.5
61.02934	0.4
61.60457	0.2
65.03940	0.3
67.04240	0.9
67.05497	0.6
70.01772	0.6
70.02158	0.5
80.05009	0.3
82.06567	2.5
84.08133	0.5
91.05505	0.3
94.06571	0.3
95.04949	0.3
107.04930	0.4
109.06522	0.8
110.06040	100.0
112.07607	3.0
119.04915	0.8
124.07613	0.8
135.04459	0.4
136.07590	0.4
140.07065	27.3
142.08633	2.5
147.04410	2.6
152.07037	0.4
154.08646	2.4
154.11674	0.3
156.06528	1.6
156.10226	0.3
172.09695	2.5
188.21313	0.2
230.11813	0.6
248.12834	0.7
250.35452	0.2
251.13866	0.5
257.12811	0.4
258.11227	0.7
275.13950	3.3
276.12378	0.8
278.87387	0.3
293.14941	8.2
311.05795	0.3
311.16006	13.1
312.16364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70312	0.3
56.05037	0.5
58.99582	0.6
67.05491	0.4
69.03440	0.4
69.07050	0.5
69.28587	0.5
69.28989	2.3
70.06586	1.5
72.08134	0.8
78.01794	0.6
79.05488	1.4
81.03383	0.3
84.04504	3.0
84.08140	1.4
86.09698	1.3
87.49821	0.3
89.03920	7.3
90.04199	0.4
91.05487	0.6
97.54410	0.3
102.05528	0.8
105.07021	0.4
107.04961	2.2
110.06094	0.6
112.44168	0.3
117.03383	10.7
120.08126	0.7
122.06021	0.4
124.07553	0.4
130.04994	3.0
135.04417	19.0
136.07591	0.7
138.05518	0.3
140.07004	0.5
145.02853	14.2
146.02988	0.4
147.04359	0.6
148.06050	3.5
150.09169	0.8
154.08620	0.4
163.03909	100.0
164.04298	0.7
169.06953	0.4
177.05519	0.4
178.05753	0.5
180.10379	0.3
181.04517	0.3
188.14371	0.8
206.15381	1.9
208.09639	0.6
228.42307	0.4
254.08626	0.7
283.06400	0.4
310.14719	10.0
310.18134	0.6
311.05627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
53.83519	0.4
53.83791	0.4
55.01863	0.7
57.03438	5.2
59.52657	0.5
60.99160	0.5
61.02911	1.8
69.03095	0.7
69.03432	7.3
70.06575	1.7
71.01350	1.1
71.04977	1.5
73.02885	1.5
74.06042	0.5
75.04470	0.7
76.02228	0.6
78.01788	1.8
79.05470	0.6
81.03407	1.6
82.06540	0.4
84.04494	1.8
84.08156	1.3
85.02896	0.8
85.04833	0.9
86.09706	3.3
87.04439	0.8
91.05451	0.7
93.51250	0.4
97.02922	0.5
98.97569	1.6
99.04439	2.1
102.81208	0.5
106.06531	1.3
109.02896	1.3
110.06052	5.5
115.74902	0.5
115.91261	0.5
118.05307	0.6
119.04917	0.7
130.04991	0.7
131.06090	2.4
133.07613	26.0
136.06619	0.5
136.07561	2.8
138.05464	1.1
140.07047	1.4
153.09898	0.5
159.05530	4.8
159.06683	0.8
162.10178	0.5
164.01732	0.9
177.06598	76.0
181.04453	0.7
214.06029	0.9
223.06573	0.9
232.07051	0.9
265.08484	0.5
269.05533	0.7
283.06213	0.9
293.11282	2.2
293.14774	0.9
311.12393	100.0
312.12817	1.1
321.80264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03929	5.3
55.01859	3.8
55.05513	89.6
56.96551	4.1
57.03437	2.4
57.06837	1.4
57.07081	17.1
59.05005	3.7
65.03912	3.2
67.05507	46.4
69.03412	3.9
69.07072	67.8
69.84281	8.8
71.04980	5.9
71.08630	8.0
76.02207	2.6
76.14674	1.4
79.05496	21.9
81.03408	3.9
81.07058	100.0
83.04500	3.2
83.04983	58.2
83.08171	2.3
83.08626	32.5
84.49735	1.5
85.02915	1.7
85.06554	7.9
91.05486	16.3
93.07043	34.2
95.04963	5.6
95.08614	93.0
95.19746	1.6
96.08940	1.8
97.06536	11.4
97.10172	18.5
98.98474	2.3
99.08079	4.2
105.07025	18.1
107.08600	23.2
109.06540	7.7
109.10159	52.6
111.08085	21.8
111.11695	7.5
113.09607	2.0
115.07615	1.6
118.76804	1.3
119.04910	6.8
119.08582	14.0
121.10157	23.2
123.04310	1.8
123.08055	4.0
123.11722	28.3
125.09631	6.5
125.13280	2.2
133.10164	10.4
135.11681	17.7
137.09607	3.5
137.13257	11.3
139.11185	4.4
145.10040	1.7
147.04414	26.5
147.11711	10.7
149.13248	13.0
151.11209	5.2
151.14754	5.5
151.15915	1.8
153.12738	2.4
159.11685	1.8
161.13257	6.7
163.11270	1.7
163.14810	5.1
165.12794	2.3
165.16319	2.5
167.14230	1.5
168.98140	1.8
175.14760	2.5
177.05397	2.4
177.16374	4.4
189.16315	1.9
190.71445	1.8
191.17918	5.2
193.19513	2.6
203.18024	2.3
217.19496	2.3
221.18854	2.0
241.10977	2.3
242.11446	5.6
249.09088	1.7
259.12140	2.1
260.12518	6.2
273.25879	6.3
277.08609	4.8
281.11606	3.7
286.10364	6.7
286.13284	1.5
291.08521	1.7
291.26874	11.7
294.08804	2.2
304.11188	2.0
309.07608	2.5
309.11136	7.7
309.22226	2.2
309.27890	46.5
310.27936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.54458	0.8
52.92802	0.7
53.03936	3.1
55.01852	2.8
55.05508	21.8
57.03424	3.5
57.07076	14.4
57.51160	0.8
59.04994	1.7
59.31694	0.7
65.03939	1.4
67.05504	41.4
69.03418	4.3
69.07066	36.6
70.06576	2.4
71.04980	6.7
71.08617	2.6
71.49564	1.4
73.06538	1.3
74.69698	0.8
75.04474	0.9
76.02219	3.8
79.05490	19.5
80.40813	0.7
81.03414	3.5
81.07053	100.0
83.04972	2.2
83.08150	1.5
83.08614	18.3
83.33043	0.7
84.04509	1.8
84.08142	11.1
85.02905	7.3
85.04836	0.9
85.06541	25.2
85.10179	1.4
86.09686	1.7
91.05475	9.1
93.07043	26.2
95.04957	4.1
95.08604	87.8
97.02863	2.3
97.06512	5.7
97.10162	12.2
98.06048	1.3
98.98472	2.0
99.08094	15.9
101.05987	1.2
105.07047	7.8
107.04926	1.0
107.08588	23.0
109.02866	1.7
109.06515	1.2
109.10155	48.7
111.08083	14.1
111.11729	5.4
113.09618	2.4
115.07619	1.1
115.29048	0.9
116.01675	1.4
119.04951	8.1
119.08586	6.4
121.06557	1.1
121.10145	16.0
123.08068	1.3
123.11704	27.7
125.09595	3.8
125.13250	1.8
129.05460	1.7
129.06969	1.3
131.08565	1.3
133.10170	4.3
135.11697	14.2
137.09613	1.1
137.13242	7.1
139.11185	1.9
145.10098	1.4
147.04408	26.5
147.11710	4.5
149.09520	1.1
149.13263	13.3
151.14796	3.2
153.12766	2.9
155.01018	0.9
159.11707	1.0
161.09619	1.0
161.13274	3.8
162.02284	1.1
163.02496	1.4
163.03824	0.9
163.14828	7.7
164.98468	2.3
165.12695	1.2
165.16393	1.7
167.14317	1.2
173.13176	0.9
175.14871	1.7
177.05504	2.8
177.16367	3.8
179.04845	1.7
185.13185	1.2
189.16437	2.0
191.17947	3.7
195.17610	1.0
203.18002	1.2
207.06412	1.2
209.19008	0.9
217.19630	1.7
218.15364	1.0
231.13988	1.8
234.06685	2.4
235.07611	1.0
235.20750	1.0
245.16658	0.8
247.23796	2.3
249.09027	2.5
251.07004	0.9
253.21632	0.9
263.06802	1.2
263.17624	2.7
273.18707	0.8
273.25806	2.7
277.08505	4.3
281.11740	2.1
291.08936	1.6
291.19846	1.0
291.23596	1.4
291.26816	11.7
309.07565	4.4
309.11224	5.9
309.17703	2.0
309.27826	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	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03936	4.6
53.23824	1.6
55.01860	5.8
55.05513	67.6
55.36375	1.5
57.03428	4.8
57.07081	21.2
59.04997	4.8
60.13187	1.6
65.03936	2.7
67.05507	51.6
69.03420	7.2
69.07066	62.5
70.27132	6.0
71.05008	9.9
71.08637	9.2
76.02210	4.3
79.05491	23.9
81.03423	8.4
81.07057	100.0
83.04979	42.0
83.08617	30.4
84.04515	3.8
85.02906	3.2
85.04825	1.7
85.06528	9.3
85.10185	3.3
91.05483	23.0
93.07043	38.1
95.04967	7.3
95.08607	96.6
97.02927	2.5
97.06525	12.3
97.10169	23.6
98.98493	2.8
99.04477	2.1
99.08109	4.6
103.05474	2.4
105.07023	20.2
107.08595	30.3
109.02879	4.7
109.06504	8.2
109.10159	50.1
111.08087	22.0
111.11732	9.9
113.09670	1.6
115.07600	2.4
117.06969	2.1
119.04952	17.2
119.08592	18.5
121.10130	24.1
123.04450	2.3
123.08066	5.0
123.11707	26.9
125.09624	8.1
125.13254	2.8
127.11257	2.0
129.07019	2.5
131.08578	2.7
133.10135	14.0
135.11693	19.1
137.05994	2.2
137.09657	3.8
137.13243	11.0
139.11200	4.7
145.10132	2.7
147.04411	64.2
147.11655	15.4
148.04791	3.0
149.13245	14.9
151.11177	3.8
151.14819	4.9
153.12733	2.5
158.03409	1.9
161.09650	2.3
161.12067	2.1
161.13229	10.9
163.11160	1.9
163.14845	6.5
165.05438	2.8
165.12741	2.9
175.14818	6.1
177.05481	3.3
177.16415	5.4
179.18022	2.0
189.16382	3.3
191.17986	3.0
217.19502	4.6
234.06633	4.6
235.13252	2.0
249.09178	4.7
251.06967	1.9
265.25110	1.9
273.25754	9.5
277.08649	9.8
281.11700	4.1
291.08661	4.1
291.19708	1.9
291.26767	18.7
294.08783	3.8
309.07611	7.3
309.11197	13.5
309.16830	2.2
309.21902	2.1
309.27841	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03934	3.3
55.01865	3.0
55.05517	17.5
57.03415	6.7
59.15908	2.0
62.23936	2.3
65.03925	3.5
66.11003	2.2
67.05182	2.6
67.05507	33.3
69.07076	18.6
71.04998	3.9
72.41879	1.9
77.14503	2.0
79.05494	29.0
79.23546	2.0
81.03417	4.8
81.07057	40.7
83.04971	3.8
83.08607	6.1
91.05484	42.3
93.07044	63.8
95.04970	47.3
95.08063	3.3
95.08610	36.9
97.06528	20.6
100.55746	2.2
103.05462	4.9
105.07037	85.8
107.04931	4.3
107.08598	36.9
109.06525	9.8
109.10159	20.5
117.07002	14.1
119.08585	63.1
121.06509	9.7
121.10149	100.0
123.08085	9.6
123.11700	8.3
128.06215	9.2
129.07007	14.4
130.07780	9.8
131.08565	34.3
133.06488	3.4
133.07536	3.5
133.10127	36.7
135.08064	5.4
135.11697	13.5
141.06979	7.4
142.07816	17.1
143.08551	31.3
144.09323	5.9
145.06494	3.2
145.10121	37.6
147.08092	5.6
147.11668	11.4
149.09578	3.4
153.07039	2.9
154.07709	2.3
155.08582	11.0
156.09352	8.7
157.10124	33.9
158.10925	6.8
158.83424	2.4
159.08064	3.3
159.11691	34.3
161.09625	9.4
161.13251	7.8
165.06960	3.1
168.09349	5.1
169.10107	16.0
170.10867	5.3
171.11682	19.5
173.09576	3.4
173.13257	15.8
175.11176	3.7
175.14873	7.3
179.08585	4.3
181.10130	6.8
182.10983	4.7
183.11671	13.3
185.13252	13.7
187.11168	11.0
187.14806	14.3
189.12775	3.5
193.10139	7.8
195.11723	10.7
196.12482	3.2
197.13321	13.4
199.14832	10.6
201.12726	2.7
203.14334	2.8
206.11009	2.7
207.11702	5.3
209.13271	9.1
211.14893	10.8
213.16379	5.8
223.14833	6.3
225.16389	6.0
235.14882	5.4
237.16437	2.7
239.14310	3.2
239.18027	6.0
241.15868	2.7
251.17946	3.4
253.15878	5.5
253.19640	4.0
255.96165	2.1
265.19629	4.1
267.17563	2.6
281.22708	6.9
291.21118	9.6
309.07553	6.2
309.22134	83.6
309.25406	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.9
53.34969	2.7
55.01870	3.3
55.05509	18.0
57.03418	6.3
57.07065	6.4
63.67993	2.3
65.03931	3.2
67.05505	29.3
68.05402	2.6
69.07074	19.5
71.04977	3.6
72.93796	2.7
79.05490	33.3
81.03436	3.5
81.06602	3.2
81.07053	47.7
83.08599	5.1
91.05467	41.6
93.07042	64.7
95.04967	51.7
95.08611	34.1
96.21760	2.4
97.06500	13.4
97.10172	2.7
103.05460	4.9
105.04524	4.1
105.07036	76.7
107.08594	33.1
109.06510	8.7
109.10141	24.1
115.05511	4.3
117.06998	20.5
119.08578	54.3
121.06521	4.9
121.10143	87.3
123.04465	2.8
123.08034	9.9
123.11680	8.3
125.73055	2.5
128.06221	10.1
129.07013	16.0
130.07777	4.8
131.08556	34.2
133.06473	4.9
133.10132	40.5
135.08032	6.5
135.11679	10.6
141.07002	8.8
142.07797	14.5
143.08551	26.6
144.09286	7.4
144.44492	2.8
145.09053	4.8
145.10124	52.8
147.08073	4.5
147.11652	10.1
149.09602	4.2
154.07700	3.5
155.08586	13.6
156.09311	8.8
157.10101	30.7
158.10901	3.9
159.11702	35.8
161.09595	9.2
161.13219	6.4
164.98497	18.7
165.54698	2.9
167.08522	4.1
168.09283	3.0
168.95755	2.6
169.10141	20.5
170.10869	7.9
171.11668	22.8
173.09544	4.4
173.13235	18.6
175.11107	3.6
175.14784	9.0
179.08417	6.0
181.10092	8.3
183.11697	20.6
185.13203	11.3
187.11168	8.8
187.14798	17.6
189.12650	3.4
192.09323	3.1
193.10095	5.3
194.10741	4.2
195.11696	12.0
197.13252	16.3
199.11081	2.8
199.14781	6.8
201.12712	3.1
201.16397	3.3
206.10977	3.6
206.99326	4.2
207.11659	8.6
208.12476	5.8
209.13298	13.2
211.11319	3.5
211.14769	10.8
213.12675	3.8
213.16310	4.1
220.12375	4.0
221.13206	9.5
223.14799	5.8
225.16409	4.9
227.14522	3.2
234.98694	3.0
235.14774	7.8
237.16370	4.3
239.17879	6.5
242.99342	3.0
251.17963	2.6
253.15857	7.9
253.19397	3.3
265.19403	5.0
281.22647	8.7
291.20926	10.4
309.02423	3.1
309.07562	7.8
309.22049	100.0
309.25552	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	2.9
55.01860	4.9
55.05512	30.2
55.78682	1.0
57.03436	2.1
57.07077	1.6
59.05003	1.8
67.05506	14.1
69.03419	4.0
69.07069	11.1
71.04992	2.4
76.02223	2.6
79.05496	16.9
81.03423	2.3
81.07053	22.3
83.04978	4.4
83.08623	16.0
85.06525	1.3
87.59455	0.9
91.05489	10.3
93.07035	12.2
95.01367	1.3
95.04967	6.9
95.08613	9.1
97.06530	1.9
97.10169	23.9
98.98447	1.2
105.07019	10.2
107.04961	4.4
107.08595	13.7
109.02891	1.8
109.06519	2.3
109.10137	4.7
111.04427	2.6
111.08075	2.4
117.07042	4.6
119.08567	7.8
121.06499	4.0
121.10162	4.4
123.04453	1.0
123.08080	8.5
123.71242	1.0
125.09624	19.6
125.10468	1.8
129.06999	2.0
129.94237	1.7
130.07739	1.1
131.08569	4.8
133.06488	2.6
133.10143	4.1
135.08012	2.3
135.11705	1.0
137.05969	1.5
137.09619	2.7
143.08574	1.1
143.10698	1.3
145.06601	1.1
145.10129	3.8
147.08008	4.8
147.11693	4.0
149.09642	1.6
151.11249	1.2
157.10147	2.8
159.11696	1.9
161.09624	2.6
163.02679	1.1
163.11165	2.6
165.09138	3.0
171.10063	0.9
171.11728	1.8
173.09544	1.3
175.11182	1.7
185.13307	1.0
189.11238	10.7
189.12776	1.9
197.13206	1.3
221.11758	1.5
223.13248	3.5
227.17908	1.0
235.13316	1.3
245.19017	2.1
255.17502	2.3
263.20020	1.2
273.18509	13.1
291.19547	100.0
292.19904	1.6
309.07635	1.1
309.20746	5.5
309.25748	1.4
321.29419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	4.0
55.01625	2.1
55.01870	20.4
55.05509	30.3
57.03428	4.5
57.07080	3.9
59.15762	1.3
65.03931	2.1
67.05505	76.4
69.03425	7.3
69.07069	29.9
69.18631	7.5
69.19052	6.0
71.04993	11.0
76.02235	2.1
79.05496	48.2
81.03417	5.5
81.07056	88.7
82.24123	1.4
83.01345	4.5
83.04977	19.1
83.08612	11.2
84.04499	1.6
85.02901	2.8
85.06531	6.9
91.05480	53.1
93.07041	45.9
95.04969	13.2
95.08609	31.9
97.02908	1.8
97.06538	8.2
97.10167	6.0
98.21564	3.0
99.04446	6.0
99.08091	2.3
105.06323	2.3
105.07030	55.7
107.04942	9.5
107.08591	53.8
109.06514	12.5
109.10158	86.5
111.04433	5.3
111.08086	8.7
113.06007	3.9
115.05501	1.8
117.07028	7.5
119.04944	2.0
119.08572	17.9
121.06533	11.4
121.10146	13.0
123.04453	3.8
123.08079	5.0
123.11700	11.9
125.06004	2.6
125.09637	3.8
127.07581	3.7
128.06203	1.7
129.06987	5.1
131.08580	13.7
133.06506	6.6
133.10132	100.0
135.08070	9.2
135.11667	9.1
137.05968	1.8
137.09634	5.5
139.07539	7.0
143.08572	9.1
145.06485	1.6
145.10152	10.6
147.04333	1.7
147.08058	10.5
147.11716	7.2
149.09633	5.4
149.13271	2.7
151.11188	60.5
157.10135	5.3
159.08115	2.9
159.11697	4.5
161.09612	10.7
161.13220	4.3
163.11153	3.9
165.09090	2.5
165.12717	1.8
167.10727	2.4
169.12233	18.5
171.11705	6.1
173.09666	2.4
173.13319	2.7
175.11185	6.0
177.09148	1.5
177.12843	2.6
179.10756	2.2
179.14267	1.6
181.08650	3.2
181.12180	1.5
185.13275	3.9
187.11090	1.8
187.14780	1.7
189.12802	2.3
191.14334	1.6
203.14346	3.0
204.77020	1.3
209.11742	1.8
215.12822	6.1
217.12254	1.6
223.13164	2.0
227.17950	2.8
231.13951	2.2
235.20413	1.8
237.16434	1.7
245.19011	14.8
255.17387	4.7
263.20068	12.1
273.18460	28.3
284.44342	1.5
291.19537	61.1
305.37372	1.4
309.07538	4.7
309.20520	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	308.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	2.2
57.98809	0.7
58.99295	1.1
58.99591	21.7
70.15313	2.0
76.02231	100.0
76.03988	3.3
80.05013	1.9
80.86270	0.6
83.06093	1.0
84.04508	42.3
86.99049	4.1
88.02225	2.0
102.05539	1.2
114.03777	1.6
116.01685	21.7
130.05019	12.6
130.05963	0.8
135.53525	0.6
140.05374	0.8
141.04915	0.7
142.03227	9.5
144.01164	10.5
162.02214	39.5
165.02142	0.6
170.02762	3.0
179.04863	46.2
187.05377	2.6
205.06364	1.1
215.04942	2.9
232.88994	0.6
233.05931	13.5
233.08086	1.0
245.05885	3.5
249.19133	0.7
291.06583	2.4
308.09088	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	308.091
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.99285	0.7
56.05030	1.0
58.99585	22.6
71.04578	1.8
73.01148	1.5
76.02226	100.0
76.03989	2.6
80.05045	1.3
83.06148	0.8
84.04502	44.6
86.99037	4.2
88.02206	1.7
102.05544	1.5
102.39452	0.7
114.03793	1.6
116.01677	22.8
124.02209	0.9
130.05008	10.9
142.03218	10.1
144.01123	9.4
144.02040	0.9
162.02193	36.6
170.02750	4.0
179.04852	41.3
187.05412	2.5
201.77943	0.8
215.04872	1.8
233.05888	14.4
233.08006	0.9
245.05959	2.5
245.21645	0.9
291.06509	2.1
308.09076	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	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.91664	0.3
53.03931	0.2
55.01862	0.2
55.05506	0.4
57.07082	1.2
57.85556	0.2
58.02947	0.3
58.99578	1.2
61.18100	0.2
66.04726	0.3
67.05499	0.6
67.70519	0.3
69.07070	1.0
70.04079	0.3
71.08631	0.8
71.49164	0.4
76.02230	5.2
76.03987	0.3
79.05480	0.9
81.07059	2.4
84.04510	2.4
85.06580	0.2
86.99084	0.3
91.05493	1.1
93.07053	0.5
94.04188	2.4
95.05016	0.4
95.08620	1.1
99.08096	0.3
99.82558	0.2
101.47907	0.2
105.07015	0.7
107.04968	0.5
107.08620	0.5
109.06503	0.9
109.10156	0.4
114.09200	0.4
115.24261	0.2
116.01687	1.4
119.08583	0.3
122.03644	7.5
123.08016	0.3
128.10732	0.2
129.06955	0.3
130.05020	0.7
133.10173	0.3
135.11591	0.3
136.35727	0.2
137.05981	100.0
137.13274	0.7
138.06308	1.1
142.03215	0.8
144.01147	0.5
147.11739	0.3
151.07561	0.6
155.14297	0.4
162.02194	2.2
165.12761	0.7
167.11462	0.4
167.36368	0.3
172.16977	1.4
179.04865	2.8
184.16989	2.5
233.05923	0.8
291.23215	2.5
308.09180	0.4
308.22354	0.4
308.25900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19057	0.4
56.05034	1.6
57.98802	1.0
58.99588	19.4
59.92657	0.5
70.40330	1.8
73.01127	0.5
76.02230	100.0
76.03974	2.7
80.05020	1.6
84.04507	41.3
86.99052	4.1
88.02226	1.5
102.05571	1.2
114.03778	1.9
116.01678	21.8
124.02203	0.6
130.05003	13.9
139.21278	0.5
141.04883	0.7
142.03233	10.5
144.01141	12.0
144.02208	0.8
162.02208	38.6
170.01485	0.6
170.02681	2.7
179.04855	43.8
187.05400	1.8
188.03729	0.5
215.04880	2.1
222.71292	0.5
233.05911	15.2
245.05853	3.0
290.08069	0.6
291.06400	2.6
303.03494	0.5
308.09100	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	307.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98416	2.4
52.83030	2.3
53.03944	4.9
55.01862	3.4
55.05504	5.2
57.07058	4.9
65.83254	2.3
67.05500	16.7
68.14432	2.8
69.07068	11.3
69.47675	17.3
76.02219	4.0
79.05492	19.9
81.03433	5.3
81.07059	21.7
83.08624	3.7
91.05486	20.6
93.07048	18.5
95.04961	19.0
95.08607	9.6
97.06542	14.3
97.26608	2.4
98.98505	3.6
105.07045	34.1
107.04985	2.9
107.08623	12.7
109.06511	9.1
109.10141	6.8
111.08129	2.4
115.05461	4.9
117.07013	12.9
119.08580	35.0
121.02847	4.4
121.06487	4.9
121.10156	11.0
128.06235	9.0
129.07004	11.4
130.07803	4.5
131.08582	18.3
133.06485	2.3
133.10127	46.8
135.08054	4.2
135.11877	2.6
141.06996	7.5
142.07712	13.1
143.08572	33.0
144.09351	4.9
145.10127	25.0
147.08046	6.6
147.11621	5.1
153.06927	3.2
154.07776	6.5
155.01097	2.9
155.06105	2.5
155.08578	9.6
156.09341	11.6
157.10129	22.9
158.10918	5.2
159.08060	4.0
159.11719	16.5
161.09651	6.9
162.02275	2.8
165.06984	5.5
166.07843	2.8
167.08517	11.7
168.09317	4.2
169.10153	19.2
170.10959	4.6
171.11711	12.6
173.09683	3.5
173.13242	13.2
175.11150	2.7
179.08524	5.7
180.09334	4.7
181.10115	12.5
182.10925	14.5
183.11705	12.3
185.09491	2.6
185.13242	4.4
187.11194	6.4
192.09331	4.2
193.10132	12.0
194.10971	8.8
195.11720	14.3
196.12489	5.4
197.13300	19.8
198.14011	3.1
199.11281	2.4
199.14894	5.1
199.78664	2.4
205.10178	3.5
206.10909	12.8
207.11719	13.1
208.12503	7.7
209.13217	17.1
211.14819	12.4
217.10072	5.4
218.10934	3.0
219.11717	7.9
220.12450	6.9
221.13266	19.1
222.14020	5.8
223.14783	10.2
229.10265	3.3
231.11670	5.0
232.12492	5.4
233.13275	10.4
234.14127	8.1
235.14879	7.8
236.15500	3.0
237.16428	7.4
244.12485	4.8
245.13225	7.5
246.14104	3.8
247.14883	8.0
249.16412	6.6
251.14392	6.7
259.14798	8.7
260.15643	2.7
263.17911	24.4
269.12335	3.4
274.17169	9.5
279.21133	9.8
289.19592	24.6
301.06256	2.8
307.09631	3.7
307.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20167	0.4
51.32809	0.4
56.05028	2.1
58.06596	3.8
58.74088	0.5
70.06600	1.1
71.17229	0.9
76.02228	1.9
83.81450	0.4
84.03988	0.7
84.04507	23.2
84.08143	100.0
86.06071	6.0
86.09715	5.8
87.67705	0.5
88.03999	0.8
100.38072	0.5
100.57404	0.6
130.08630	0.8
139.09705	0.5
141.13855	6.4
142.08765	0.5
160.07535	0.8
161.07864	0.7
169.13358	9.0
179.04893	1.2
198.11330	2.0
215.13904	35.0
243.17047	50.4
244.17361	0.6
262.11145	3.9
299.80389	0.5
307.16827	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	307.2055
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.01868	3.5
55.05499	8.7
57.03429	2.7
57.07062	2.3
67.05504	14.3
69.03414	3.4
69.07063	8.4
70.06560	2.7
76.02210	4.6
79.05501	14.7
81.03378	3.8
81.07056	23.8
83.04988	4.5
83.08601	4.6
84.04476	2.6
91.05488	22.6
93.07058	19.6
95.04973	21.6
95.08598	14.9
97.06525	12.5
97.10153	5.2
98.71867	2.1
98.98465	3.9
99.10680	2.5
99.26514	2.3
105.07030	32.1
107.04997	3.1
107.08596	14.4
109.06506	8.2
109.10149	8.1
115.05451	3.7
117.07009	11.7
119.07787	4.3
119.08580	39.0
119.52302	2.2
121.02822	4.6
121.06520	4.9
121.10159	6.4
123.08033	3.2
125.09621	3.3
128.06221	8.7
129.07005	8.3
130.05005	1.9
130.07774	2.5
131.08578	18.4
133.10126	44.7
135.08066	5.4
135.11693	3.5
141.06999	6.3
142.07751	13.6
143.08559	30.5
144.09355	3.0
145.06436	4.6
145.10139	23.8
145.59518	2.3
147.08049	8.0
147.11688	5.5
149.09578	4.2
153.06955	3.5
154.07759	2.6
155.08560	7.2
156.09395	11.0
157.10130	25.3
158.10905	4.2
159.11711	17.2
161.09633	8.2
165.06943	5.2
167.08585	9.6
168.09355	3.3
169.10103	14.9
170.10945	5.9
171.11720	15.9
173.13251	12.4
179.08498	5.3
180.09424	3.5
181.10118	11.4
182.10863	7.1
183.11714	11.6
185.09657	2.7
185.13290	4.8
187.11249	8.1
191.08618	3.0
192.09315	3.2
193.10147	16.7
194.10913	5.4
195.11630	13.8
196.12390	5.1
197.13257	15.9
198.14069	4.5
199.14822	5.0
204.09412	4.5
205.10190	6.8
206.10963	7.5
207.11681	16.3
208.12485	8.1
209.13306	13.5
211.14854	10.1
217.10077	3.0
218.10838	3.1
219.11707	12.9
220.12466	7.1
221.13231	18.7
222.14052	3.1
223.14885	11.2
225.12752	2.9
229.09949	3.1
230.10997	3.2
231.11713	2.5
231.21257	2.5
232.12521	6.1
233.13168	12.6
234.14020	2.7
235.14810	7.7
237.16425	7.7
244.12540	4.1
245.13222	4.8
246.13963	4.9
247.14890	9.4
248.15594	7.2
249.16476	9.0
251.14322	5.8
251.18102	2.8
259.14807	11.5
261.16382	5.0
263.17993	20.7
265.15994	5.0
265.19589	2.8
274.17209	6.5
279.21097	8.2
289.19690	14.4
307.20587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81098	0.9
70.74403	2.5
80.09116	0.9
84.08186	1.0
87.00846	2.4
94.06578	2.3
127.03882	1.0
130.06532	99.7
132.04463	23.7
139.03947	1.8
146.06026	7.5
157.07623	82.1
158.06023	100.0
159.06346	1.2
171.52708	1.0
173.07167	5.7
175.08685	45.8
177.05515	1.2
197.07210	1.3
199.08716	2.1
201.06664	5.3
203.08156	4.8
221.09254	5.3
227.26453	1.0
243.07658	12.0
245.09241	1.9
247.07147	3.0
261.08734	42.1
262.09070	1.0
265.66870	1.0
271.07098	2.4
289.08231	9.9
307.09268	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	307.1652
Annotation	Antibiotic KO 7888B
Peak:m/z	Relative Intensity
53.03949	2.6
55.01867	4.6
55.05515	12.1
57.03190	3.0
57.03437	28.7
57.07047	2.8
58.99574	2.4
67.05506	12.9
69.03429	3.5
69.07069	9.9
71.04992	2.6
71.49318	1.8
71.49789	3.3
72.04512	3.1
76.02221	10.3
79.05507	10.8
80.05022	4.8
81.07056	25.4
82.06567	2.6
83.04985	5.3
83.08604	6.4
84.04510	4.9
84.08147	2.7
85.06532	2.4
87.05594	3.2
91.05499	11.0
93.07052	17.1
94.06554	8.4
95.04954	4.1
95.08620	21.0
97.06533	3.9
97.10149	2.6
98.98450	3.7
99.00804	5.1
105.07058	12.6
106.06585	5.6
107.08617	11.2
108.08128	3.4
109.06516	5.9
109.10164	13.7
117.07027	5.7
118.00361	2.4
118.06532	9.3
119.07290	2.9
119.08570	14.9
120.08115	9.5
121.06501	2.5
121.10140	8.0
122.09637	2.1
123.08034	4.6
123.11690	5.0
129.06993	5.0
130.06552	5.4
131.07343	5.3
131.08568	4.1
132.08076	15.6
133.08881	3.5
133.10120	6.0
134.06007	6.9
134.09665	21.2
135.08047	3.8
135.11682	3.8
136.07588	3.2
136.11198	14.8
137.09624	2.6
138.05476	5.2
138.09120	3.0
143.08534	5.6
144.08076	6.2
145.08818	5.9
145.10085	3.6
146.05989	8.9
146.09637	21.9
147.06810	2.9
147.08028	4.5
147.09158	2.7
147.10440	2.5
147.11732	5.0
148.07591	7.0
148.11212	14.8
149.09575	5.4
150.09154	10.7
151.07550	4.4
155.01065	3.0
158.06017	4.4
158.09695	3.0
159.06830	2.1
159.10439	2.6
159.11667	5.1
160.07538	7.0
160.11223	13.9
162.05487	4.2
162.09171	8.1
162.12869	4.8
163.09882	2.6
163.11191	5.7
164.03346	2.7
170.09641	4.9
172.07608	12.5
173.08356	3.0
173.13268	3.1
174.09132	9.5
174.12772	7.9
176.10669	4.6
178.05045	3.7
179.04822	2.7
180.06465	2.8
186.12732	2.6
187.09853	3.6
188.10709	49.6
190.08789	4.6
190.12315	5.1
191.08397	2.7
191.13025	6.9
192.06549	23.9
192.10217	9.9
192.13840	43.7
197.13054	2.6
198.12750	2.5
202.12277	28.1
204.13850	5.3
205.13348	4.8
216.10245	8.6
216.13792	3.8
218.08005	3.3
218.15392	4.3
220.09743	10.7
226.12216	2.3
230.11790	4.1
233.12822	8.8
234.11252	24.0
235.10954	2.5
236.09201	16.0
244.13353	47.8
245.16519	2.6
248.09230	22.1
248.12869	4.4
249.05423	2.9
251.13840	14.0
261.16046	18.6
261.18573	2.8
261.41718	2.3
262.14288	6.0
265.11841	3.9
272.12805	8.8
279.10184	2.9
289.15424	8.3
289.18256	2.3
289.25085	3.0
290.13861	58.9
292.07382	4.1
307.06641	2.2
307.09583	11.3
307.12845	5.3
307.16489	100.0
307.26224	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	305.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
57.07077	100.0
59.05004	15.2
59.99098	1.9
60.70889	1.5
61.14310	1.6
67.05512	3.4
69.07072	3.8
71.08633	83.8
71.50378	2.7
79.05499	2.6
81.07055	4.3
83.08625	3.1
85.10184	75.2
86.06049	2.6
89.06036	11.9
91.05486	3.4
93.07031	3.2
95.04990	1.6
95.08596	2.2
99.11710	4.6
106.06535	8.3
107.07067	3.1
107.08614	2.6
116.05334	6.4
119.08571	2.1
135.11729	1.5
137.06010	5.2
145.04340	2.3
145.91281	1.6
147.11696	2.6
157.68599	1.9
159.11633	1.5
173.66277	1.5
179.10712	2.7
183.73354	1.4
201.10579	6.7
274.76025	1.8
305.25018	2.1
322.21222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	100.0
59.99117	10.1
69.07047	0.6
69.37473	1.0
69.37866	4.4
71.08640	1.5
72.08956	0.8
79.05495	0.9
85.07684	1.4
85.10188	1.2
86.06062	16.4
88.93303	0.6
98.20736	0.7
101.08070	0.6
102.03779	2.7
102.99662	0.7
106.06554	61.5
116.05315	45.3
129.09598	0.6
137.06000	8.1
142.12326	0.8
145.04289	9.1
201.10570	58.9
208.05399	4.9
250.10152	3.6
306.16367	5.7
306.28018	1.0
307.56607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1704
Annotation	Convolamine
Peak:m/z	Relative Intensity
53.03923	0.4
55.01853	0.5
55.05499	1.5
57.03432	3.1
57.07083	4.6
59.99096	0.6
61.02914	0.4
67.05492	1.5
69.03413	0.5
69.07053	1.0
70.06597	2.5
71.01337	1.2
71.49369	0.5
74.06062	1.6
75.49223	0.5
79.05478	1.5
81.07069	2.8
82.07382	0.7
84.04489	0.4
85.02907	38.0
86.06076	0.9
86.09686	0.6
91.05468	1.0
93.07023	2.5
94.07355	0.9
95.01317	0.5
95.04980	0.5
95.08617	2.2
96.08932	0.6
97.06508	0.6
105.06995	1.2
106.06574	3.0
106.07223	0.7
107.04947	0.5
107.08582	1.5
108.08900	1.1
109.10129	1.5
110.10497	0.8
111.08080	3.4
112.75777	0.4
113.02348	1.4
116.05335	2.1
116.07063	0.9
117.07027	0.4
118.06546	19.3
119.07314	0.7
119.08568	0.8
120.08098	1.0
120.08877	0.6
121.10115	1.3
122.10548	0.4
124.12000	0.7
131.03375	2.0
132.08078	3.4
132.08943	0.6
133.08841	1.4
133.10068	0.4
134.09605	0.9
135.11658	0.5
136.12007	1.2
137.05937	1.9
144.06471	0.5
146.09630	4.9
149.09595	1.1
149.13242	0.7
150.09999	0.8
150.92888	0.4
151.07579	0.6
162.07425	0.4
176.14343	84.2
177.14697	0.8
201.10622	3.2
202.15906	0.9
211.09642	1.9
216.13806	0.6
229.10632	0.7
237.87378	0.5
239.09109	0.7
246.14885	0.8
256.11826	0.4
257.10242	3.9
260.12912	0.4
260.60275	0.4
272.52014	0.5
274.12570	0.7
288.15985	1.2
306.16995	100.0
307.06320	0.5
307.09628	0.4
307.17273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04732	0.5
67.05518	0.4
69.07069	1.1
69.88994	0.9
69.89381	0.8
79.05459	0.6
81.07050	1.0
87.78380	0.4
91.05473	0.5
94.04176	2.2
109.06562	0.4
109.10152	0.9
114.09217	0.7
122.03663	7.0
122.52679	0.5
133.10126	0.7
135.11676	1.0
137.05981	100.0
138.06288	0.8
153.12737	1.3
157.58000	0.4
170.15382	2.9
182.15454	2.5
234.50824	0.4
246.92369	0.4
254.48016	0.4
262.24939	0.4
263.06125	0.4
290.56738	0.4
306.20712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01870	0.8
55.05514	7.2
56.05025	0.2
57.07075	0.8
58.06603	0.2
59.05013	0.1
65.03939	0.5
67.05506	10.2
68.72958	0.1
69.03384	0.2
69.07070	7.8
69.62012	0.6
69.62412	0.3
70.06593	0.3
71.08642	0.2
72.04493	0.5
79.05070	0.2
79.05494	2.6
81.07056	8.6
82.06561	0.2
83.08621	2.6
84.08125	0.3
85.05284	2.5
86.06070	0.9
91.05479	1.1
93.07050	1.8
94.06544	0.2
95.04951	0.2
95.08612	5.3
96.08125	0.4
97.06505	0.3
97.10194	0.8
98.06053	15.5
98.09686	0.2
99.06828	0.3
99.08070	0.2
100.07569	0.2
105.07026	0.7
107.08575	0.8
108.08121	0.2
109.10157	1.6
110.09670	0.5
112.07599	2.3
114.05397	0.1
119.08561	0.4
120.08129	0.3
121.10112	0.5
122.03650	0.3
122.09631	0.2
123.11700	0.5
124.07582	0.4
124.11221	0.3
125.08398	0.2
126.08349	0.2
126.09162	0.9
133.10117	0.5
135.11665	0.4
137.05972	5.1
138.09122	0.4
140.10748	0.7
147.11731	0.2
149.98120	0.1
150.12616	0.2
152.10695	0.3
154.12267	0.9
166.12280	0.2
168.13832	0.6
173.99886	0.2
180.13820	0.2
182.15387	0.4
187.19719	0.1
194.15483	0.4
196.16983	0.6
208.16959	1.4
210.18617	0.2
214.96687	0.1
219.76869	0.1
222.18571	0.6
236.20107	0.7
238.21521	0.2
250.21713	0.4
257.12134	0.2
271.82281	0.1
287.20731	0.2
306.27905	100.0
307.28238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
56.05029	1.3
56.96546	1.5
57.03440	5.4
59.04986	1.6
61.02893	4.1
68.04997	3.8
69.03407	4.4
69.19571	9.9
69.19980	1.9
70.02912	1.0
70.06593	8.3
70.95824	1.6
71.04984	1.1
73.02916	24.5
78.03436	2.1
80.05019	37.8
81.03404	2.3
83.04960	1.8
84.04476	2.8
84.08131	3.0
85.02919	6.1
94.02911	2.3
95.04952	1.3
96.04499	6.6
96.71457	1.0
97.02855	4.7
98.06023	4.2
98.97560	1.3
99.05563	5.4
100.03976	2.0
101.00858	1.9
101.30593	1.3
106.02917	16.3
109.02875	1.6
110.06012	2.8
112.07529	1.3
112.08689	1.4
113.06004	1.2
114.05471	4.0
114.98409	2.8
115.03917	3.3
116.07040	1.0
121.04636	1.1
123.04429	2.3
123.05551	29.3
124.03952	61.6
126.05486	1.7
130.06531	2.4
132.95758	2.9
133.04919	2.6
138.05424	2.4
141.06586	100.0
143.08150	1.6
146.05928	1.3
149.02284	2.5
151.18282	1.3
153.01715	3.3
156.06531	6.0
157.03481	1.4
158.06001	6.4
158.07967	1.4
158.73741	1.2
158.97371	3.1
160.98923	2.5
166.04982	2.0
171.04970	1.3
173.06932	1.5
173.09225	23.7
183.07608	2.5
185.02943	1.5
186.09505	1.7
189.13449	1.3
193.49643	1.2
202.99982	1.6
203.03952	1.3
216.03217	2.3
231.06621	1.7
231.09534	1.7
234.98866	4.9
238.99933	2.6
240.59032	1.1
256.08066	1.7
259.07361	1.2
273.10797	39.9
293.30521	1.3
296.98395	1.3
305.03033	5.3
305.08029	2.4
305.11917	45.6
323.11761	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	305.2476
Annotation	12-Oxogeranyllinalool
Peak:m/z	Relative Intensity
53.03954	2.1
55.01873	1.6
55.05512	12.1
57.03429	2.2
57.07076	4.0
59.04982	0.8
65.03934	1.8
67.05504	23.6
68.11928	0.6
69.03442	3.4
69.07069	15.6
69.31091	6.8
70.06596	1.1
71.04994	1.7
71.08627	1.5
71.86730	0.7
79.05024	0.9
79.05495	17.5
81.03424	1.1
81.07057	37.4
83.04974	2.1
83.08620	6.1
84.08145	2.0
85.06547	9.4
86.09703	0.9
86.93698	0.7
91.05489	11.5
93.07045	31.5
95.04987	5.2
95.08608	42.7
97.06533	5.1
97.10159	3.0
98.97563	2.1
99.08098	3.0
105.04545	1.5
105.07037	16.8
107.04961	1.5
107.08592	26.5
109.06524	10.3
109.10158	22.8
111.08098	4.5
111.11733	1.0
113.09640	1.1
117.07018	3.3
119.08576	13.1
121.06510	4.6
121.10149	19.1
123.04419	1.2
123.08076	3.0
123.11721	5.8
125.09653	2.3
127.11205	3.3
128.06218	0.8
129.07019	2.6
131.08569	7.1
133.06563	0.9
133.10138	13.7
135.08047	4.8
135.11687	8.6
136.07603	0.9
137.02333	2.3
137.05992	3.0
137.09621	9.6
137.13252	2.1
139.11122	1.3
142.07724	0.9
143.08591	3.0
145.10129	6.8
147.08063	1.8
147.11682	9.5
149.09621	100.0
149.13234	11.1
150.10081	0.8
151.04010	1.3
151.11189	5.0
151.14842	1.0
153.01892	1.9
157.10132	3.0
158.99602	0.7
159.11696	5.1
161.09634	2.5
161.13255	8.6
163.11180	21.9
163.14856	3.1
165.12776	1.3
171.11691	1.8
172.98401	0.8
173.13269	2.8
175.11189	2.0
175.14839	3.0
177.05391	0.7
177.12781	2.4
177.16452	1.4
177.99803	0.6
179.10695	1.4
179.14220	0.8
185.13318	2.5
187.14838	3.3
189.12944	1.4
189.16418	3.0
191.06944	0.9
191.14317	2.0
193.12204	1.3
199.14842	2.1
201.16365	1.5
203.14319	1.7
203.17937	1.3
205.15800	1.8
207.13824	1.0
209.15468	1.2
213.16324	2.1
217.15897	1.1
221.15248	0.8
223.17010	1.4
229.19543	0.9
231.17429	1.4
235.16925	1.1
249.18484	1.2
259.24384	0.7
269.22623	2.3
275.23560	0.9
287.23657	9.9
305.24738	80.6
306.14807	1.2
306.25922	1.3
323.79318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31645	0.5
58.28337	0.5
61.35318	0.5
70.06593	0.9
70.55142	1.0
70.55472	0.9
72.08135	0.6
84.08122	0.9
87.00815	0.8
94.06532	0.5
98.97633	0.7
101.00872	0.5
103.05479	1.5
115.05452	1.8
118.06577	1.1
123.04372	0.9
128.04965	2.3
130.06528	45.5
132.04463	3.3
135.04611	0.5
142.06564	0.6
144.04382	0.7
145.07614	2.0
146.06007	16.4
149.02130	0.6
153.01878	1.0
155.03380	0.5
155.06024	1.2
156.04442	12.6
157.07617	3.2
158.06013	100.0
158.15388	0.7
169.07614	1.0
170.06067	0.6
171.05460	0.7
172.03958	0.6
173.07104	42.1
174.05504	13.0
174.06915	1.0
175.08669	1.8
179.29184	0.6
197.07233	0.5
199.05034	1.2
201.06593	3.6
201.67133	0.5
202.04991	6.2
225.06546	0.8
236.71655	0.5
243.07729	2.7
243.93442	0.5
259.07135	15.8
261.08673	2.6
287.06564	1.9
287.09671	0.7
305.07892	0.9
305.11322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
56.05036	10.9
57.07081	7.7
58.06367	0.6
58.06607	5.2
60.04529	45.7
67.05484	2.3
69.07063	2.9
70.06584	1.4
71.08638	3.7
71.49304	0.6
72.04498	0.6
74.06075	9.2
76.75663	0.6
79.05466	0.9
81.07059	2.4
83.04967	0.7
83.08603	2.2
85.10184	1.3
86.06060	2.4
88.07632	33.3
93.07044	1.2
95.08611	2.1
97.10191	1.2
100.07636	0.9
107.08655	0.8
109.10139	1.1
118.08671	6.4
121.10162	0.8
122.08138	5.4
184.86919	0.7
219.17511	0.8
219.76237	0.6
222.64508	0.7
238.25490	1.0
242.24966	1.0
247.59912	0.8
250.25378	1.1
256.26364	32.8
268.26306	5.3
286.27371	9.2
304.28485	100.0
305.28741	1.0
306.14566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01862	1.4
55.05513	1.2
57.03440	1.8
58.49931	0.9
60.04521	1.0
64.84805	0.8
65.03921	1.0
67.05499	1.4
69.03438	2.3
69.07085	1.8
70.02956	3.7
70.06592	3.8
70.41582	3.4
71.04981	1.0
72.08161	2.2
74.02407	1.2
81.03409	1.5
84.04511	2.6
84.08134	7.7
84.08505	0.8
85.02883	2.1
86.09703	4.2
87.10042	1.3
88.03996	2.1
91.05479	1.3
95.04975	1.0
97.02888	1.4
99.00822	2.5
102.05582	1.2
103.05481	1.1
107.04931	1.2
110.07162	1.1
114.05549	1.0
116.04981	86.4
118.06576	1.3
119.04947	0.9
121.02934	1.0
123.04422	7.7
124.07591	1.4
127.03931	1.6
128.04991	1.7
129.10193	1.1
130.06538	6.5
131.04889	0.9
134.06015	0.9
135.04414	0.9
137.02339	2.4
139.03914	3.4
140.05003	0.9
142.06541	1.4
143.03438	2.3
144.04451	60.6
144.08110	1.1
145.05208	2.8
146.06058	4.7
147.04414	3.6
147.51512	0.8
149.02344	4.9
149.04755	2.2
151.03868	1.4
152.07100	0.8
153.01834	6.2
155.03432	3.0
156.04446	2.5
158.06041	7.4
160.07587	13.1
162.05504	2.1
162.39725	0.8
170.06021	19.0
171.05580	1.7
172.03944	92.4
173.04547	1.4
173.07135	10.4
174.05513	3.1
177.04219	4.7
185.09241	1.1
187.08678	26.5
187.10390	1.6
189.06618	11.2
190.05002	48.2
199.05046	14.4
201.06607	6.4
202.12688	1.3
213.06885	1.1
215.08171	26.7
231.06590	2.6
241.06136	7.7
241.15401	1.2
245.05624	4.0
245.09227	2.2
250.70935	1.0
259.06894	4.1
287.06512	6.5
287.09961	6.2
287.13470	1.4
305.07733	100.0
305.11322	11.6
305.15079	2.6
306.07953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73461	0.7
54.84866	0.7
55.05495	0.8
56.04792	1.0
56.05042	14.5
56.96558	0.9
57.03427	3.0
58.06605	5.0
59.27708	0.7
60.05653	1.8
68.05022	4.0
69.03420	2.7
70.06597	19.2
71.04983	2.3
71.48557	1.2
71.48927	0.9
72.08153	1.7
72.93769	1.2
73.02890	1.2
74.02433	1.2
74.06065	1.7
81.03410	6.3
82.06561	2.3
83.04992	0.9
84.04501	3.3
84.08146	4.3
84.11947	0.8
85.02906	3.7
85.07668	3.6
86.03684	1.9
86.05596	1.1
86.06076	17.3
86.09709	0.8
88.03986	1.7
95.04992	0.8
96.08113	1.5
97.02876	1.5
98.09684	1.7
100.03984	5.8
100.05257	1.1
102.00924	1.1
102.05553	7.4
102.94839	1.0
109.02876	4.2
110.03280	0.8
111.04404	0.8
111.09213	1.5
112.08736	0.9
113.07114	0.9
114.05541	54.4
114.10268	1.2
116.07084	2.6
119.01919	1.4
123.04434	2.0
124.04750	0.8
124.07628	6.6
127.03935	1.6
127.08600	1.1
128.07086	3.6
128.96330	1.2
129.06609	4.2
130.04999	2.8
132.95848	1.1
137.10655	1.1
139.08643	2.0
140.07117	1.2
141.01184	2.6
141.05515	0.9
141.10229	10.1
142.08659	7.3
145.03517	1.2
145.09721	1.1
146.03551	1.3
151.03899	1.8
151.08643	1.8
152.04272	1.9
157.09731	5.5
158.09259	1.3
160.95319	0.7
168.06641	1.0
168.11330	2.9
169.09753	1.1
175.04680	0.8
175.11938	4.9
185.09233	100.0
186.07689	5.3
188.56137	1.5
188.98438	1.8
196.10854	4.6
197.56679	2.4
198.06468	1.1
199.06303	0.8
203.10249	2.4
206.57190	3.2
207.05127	1.0
207.07025	1.8
214.11891	2.3
215.10246	0.9
215.57698	1.6
216.05659	1.1
216.07617	2.4
216.98143	1.0
231.98499	0.8
236.06892	1.0
240.13455	5.2
258.14606	2.4
268.12869	1.7
280.99448	1.2
286.13992	45.3
287.13983	1.1
303.61215	2.8
304.05380	1.2
304.10059	6.1
304.15015	7.6
305.08392	6.4
305.12051	5.5
322.10541	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74303	1.4
53.03936	2.8
53.40738	1.5
55.01880	3.0
55.05519	2.5
56.05036	2.6
57.03429	4.8
58.06593	3.9
60.04517	8.6
61.02925	5.9
69.03442	15.9
69.07071	46.2
69.42628	12.7
70.06583	5.5
71.08640	18.5
72.08126	1.8
73.02931	2.7
81.03409	9.0
84.04502	4.6
84.08156	2.7
84.56525	1.4
85.02908	67.0
86.02448	8.2
86.09697	3.7
91.03922	1.9
94.06570	1.8
95.05018	2.1
96.04449	1.8
96.08134	4.5
97.02894	49.7
97.06528	4.7
98.21584	3.1
99.04464	3.9
103.03941	6.2
105.03352	2.3
105.93604	1.5
109.02890	12.0
114.09161	19.1
117.07862	1.8
120.05276	2.3
122.03240	1.5
123.04433	18.3
124.04750	12.4
127.03930	16.2
130.06526	2.0
135.04417	2.1
137.02359	4.9
138.02655	1.8
138.09161	4.9
139.03899	6.1
140.04254	4.6
142.08641	100.0
145.04953	5.8
146.06027	2.0
147.04407	7.2
148.04745	7.8
151.03914	24.6
152.04254	16.8
153.01802	3.9
154.02208	3.1
155.03413	2.8
156.10170	3.9
158.06071	1.7
162.06313	2.3
163.03963	2.6
164.04285	2.3
165.01910	2.0
165.05457	3.2
166.05830	4.5
174.06375	1.8
178.90955	1.5
181.04979	1.5
182.05333	1.9
183.05501	3.7
184.09700	87.5
185.09247	2.4
193.04921	2.2
194.05373	2.4
201.06635	5.4
208.06895	2.2
208.09720	16.8
220.09508	3.4
230.05339	4.8
238.10696	3.0
242.09254	5.4
250.10854	9.4
258.04874	3.5
275.05240	1.8
286.11801	2.2
304.01849	3.4
304.05328	61.6
304.08981	26.5
304.12262	2.2
304.13928	2.4
304.16870	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01883	0.9
55.05506	0.7
56.05027	1.9
56.96564	0.5
57.03426	1.2
58.06598	1.5
61.02917	1.2
67.05514	1.0
68.05006	1.3
68.08943	0.5
69.03432	4.0
69.07057	1.3
70.06598	7.5
71.05000	0.6
71.48896	0.6
72.08150	2.1
73.02918	1.4
74.06093	1.1
79.05489	5.8
80.05024	1.2
81.03414	1.8
81.05794	3.7
81.07065	5.4
82.02914	0.8
82.06569	2.3
83.04963	0.7
83.89966	0.5
84.04511	2.1
84.08147	2.8
85.02914	7.8
86.06064	1.6
86.09709	18.6
88.04002	0.8
90.94839	0.5
91.05489	0.9
94.06559	1.7
95.04967	1.6
95.06091	1.0
96.04475	2.7
96.08126	8.7
97.02882	3.6
97.06512	0.7
98.06071	0.9
99.04447	0.9
102.05550	1.2
106.06589	0.6
107.04947	0.6
109.02898	1.0
109.05250	1.0
110.06038	7.7
110.07172	1.1
112.07607	1.4
112.08680	0.6
114.05526	3.9
119.04950	0.8
120.06596	1.1
121.02914	0.7
121.06505	0.6
122.06023	1.5
123.04446	2.4
124.07595	100.0
127.03924	2.1
129.06654	0.6
129.10278	0.9
130.05026	0.7
130.06525	1.4
135.04411	0.7
136.07539	0.9
137.06004	0.9
138.05530	0.6
138.09160	0.8
140.07063	5.2
141.06664	0.5
141.10197	0.8
142.08636	31.6
143.11798	9.2
144.06535	0.6
144.95801	0.6
145.04994	0.8
146.06026	0.8
147.04385	0.8
148.04836	0.6
151.03905	2.1
152.04265	2.3
154.08600	0.5
157.13373	1.9
158.06035	2.7
158.15384	0.9
160.07652	0.8
160.99190	0.5
164.07076	0.5
165.05487	0.8
166.08609	0.7
167.07039	0.5
171.11337	1.6
173.07175	1.0
175.11978	1.0
185.09244	7.9
185.12840	1.2
187.14418	2.2
201.12401	0.6
208.09686	0.7
215.08104	0.5
215.13979	0.9
250.10678	1.0
268.11847	1.4
286.08685	0.5
286.13528	4.4
287.13266	0.6
304.05179	1.5
304.08926	3.3
304.13617	2.1
304.16885	0.7
305.11569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95311	0.9
53.03948	1.6
55.01868	2.6
57.03439	5.1
58.06599	1.7
60.04523	6.6
61.02920	4.0
61.80362	0.9
68.99826	1.2
69.03432	16.1
69.07072	49.2
70.06594	3.7
71.04995	1.3
71.08630	19.1
71.40147	1.4
73.02906	2.2
74.06085	1.1
81.03426	8.7
83.08628	2.3
84.04507	4.1
84.08119	1.7
85.02909	70.5
86.02430	6.6
86.06086	2.1
86.09718	2.4
91.03956	2.2
91.05485	1.1
94.40609	1.1
96.04491	1.7
96.08150	5.4
97.02898	43.9
97.06516	7.0
99.04468	3.9
99.23607	1.2
103.03956	5.7
104.47936	1.0
109.02882	11.9
110.02387	1.6
114.09171	17.4
119.04996	1.3
123.04433	8.1
124.04826	3.4
124.07584	1.6
127.03929	14.6
130.06541	1.3
137.02373	1.5
138.09183	4.4
138.83806	1.0
139.03860	2.2
140.04227	1.6
142.08643	100.0
145.04996	6.6
145.07594	1.2
147.04425	3.4
148.04756	4.6
149.41881	1.1
151.03905	9.9
152.04291	6.9
152.10638	1.4
153.01854	2.4
155.06053	1.6
155.70990	1.3
156.10214	3.5
165.05399	1.7
166.08643	1.3
183.05565	3.6
184.09703	73.7
201.06674	5.3
208.09714	18.9
218.09068	1.0
220.09773	2.9
230.05367	1.4
238.10725	2.2
250.10809	10.0
258.04785	1.2
260.10025	1.2
268.11688	1.1
286.08029	2.2
286.13144	1.9
304.05359	24.9
304.09003	9.0
304.13721	2.0
305.15680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95311	0.9
53.03948	1.6
55.01868	2.6
57.03439	5.1
58.06599	1.7
60.04523	6.6
61.02920	4.0
61.80362	0.9
68.99826	1.2
69.03432	16.1
69.07072	49.2
70.06594	3.7
71.04995	1.3
71.08630	19.1
71.40147	1.4
73.02906	2.2
74.06085	1.1
81.03426	8.7
83.08628	2.3
84.04507	4.1
84.08119	1.7
85.02909	70.5
86.02430	6.6
86.06086	2.1
86.09718	2.4
91.03956	2.2
91.05485	1.1
94.40609	1.1
96.04491	1.7
96.08150	5.4
97.02898	43.9
97.06516	7.0
99.04468	3.9
99.23607	1.2
103.03956	5.7
104.47936	1.0
109.02882	11.9
110.02387	1.6
114.09171	17.4
119.04996	1.3
123.04433	8.1
124.04826	3.4
124.07584	1.6
127.03929	14.6
130.06541	1.3
137.02373	1.5
138.09183	4.4
138.83806	1.0
139.03860	2.2
140.04227	1.6
142.08643	100.0
145.04996	6.6
145.07594	1.2
147.04425	3.4
148.04756	4.6
149.41881	1.1
151.03905	9.9
152.04291	6.9
152.10638	1.4
153.01854	2.4
155.06053	1.6
155.70990	1.3
156.10214	3.5
165.05399	1.7
166.08643	1.3
183.05565	3.6
184.09703	73.7
201.06674	5.3
208.09714	18.9
218.09068	1.0
220.09773	2.9
230.05367	1.4
238.10725	2.2
250.10809	10.0
258.04785	1.2
260.10025	1.2
268.11688	1.1
286.08029	2.2
286.13144	1.9
304.05359	24.9
304.09003	9.0
304.13721	2.0
305.15680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02380	0.6
53.03944	1.2
55.01861	1.9
55.05513	4.2
56.05022	2.3
57.03430	1.1
57.07064	0.8
63.60480	0.7
65.03939	1.3
67.01849	2.1
67.05504	6.2
68.99783	2.6
69.03427	1.7
69.07076	4.1
69.73151	0.7
70.06567	0.9
71.04961	0.8
74.02445	4.3
79.05497	4.5
81.03392	1.2
81.06591	0.9
81.07050	12.3
83.04970	1.3
83.08618	0.8
84.08132	1.7
85.06525	1.1
89.03883	1.1
91.05475	5.8
93.03404	0.7
93.07033	8.6
94.06609	0.6
95.04964	2.7
95.08596	8.9
97.02886	2.0
97.06552	1.3
97.10178	1.4
98.21566	1.0
99.08073	1.3
102.05525	3.3
103.05460	0.8
105.07029	8.7
107.04950	2.0
107.08592	7.4
109.02895	1.0
109.06515	0.9
109.10161	6.1
110.07166	0.8
110.46344	0.6
111.00809	0.8
111.08036	0.6
113.06047	0.9
115.05450	1.5
117.03374	3.4
117.05668	0.8
117.06999	2.7
118.06553	5.5
119.04911	1.1
119.08588	8.1
119.87754	0.7
120.08068	1.1
121.02856	1.2
121.06511	1.3
121.10139	5.0
123.04435	8.2
123.08019	1.1
123.11694	1.8
124.07629	1.1
125.05997	1.0
125.09608	1.3
127.03928	0.7
128.06209	0.7
129.07002	2.4
130.06525	21.7
131.04951	1.4
131.08575	3.0
132.08096	4.0
133.10117	5.7
135.04430	2.1
135.08057	1.4
135.11725	3.3
137.02351	2.3
137.05948	2.9
137.13239	0.8
139.03899	2.4
141.01801	1.2
141.06963	1.3
143.07312	13.3
143.08426	1.8
144.08076	44.9
145.02850	6.8
145.10130	4.7
146.06006	14.7
147.04434	3.7
147.08031	1.8
147.11684	5.9
149.05977	1.2
149.09633	1.5
149.13235	2.3
151.03900	11.2
151.07529	1.2
151.11206	0.7
153.01823	28.6
153.05437	1.0
153.06958	1.0
154.06506	13.6
155.07285	1.7
155.08469	0.8
156.08084	6.1
157.08836	2.3
157.10077	1.6
158.09648	100.0
159.09171	1.1
159.11713	3.0
161.05972	1.1
161.09618	1.6
161.13246	2.7
163.03893	2.6
163.11224	0.9
165.01852	1.4
165.05495	1.3
165.06944	1.7
165.12749	0.9
167.07289	2.3
168.08084	44.9
169.07568	1.4
169.08841	6.4
170.05989	1.5
170.09639	8.7
171.02867	3.7
171.11723	0.9
172.07590	2.4
173.05966	1.2
173.13243	1.5
175.14824	2.3
177.05455	10.5
177.08955	0.7
177.12793	0.8
179.03412	2.1
180.08040	0.9
181.04971	1.3
182.09679	1.9
183.08034	1.5
183.10394	1.6
185.10725	2.6
187.12315	1.3
187.14790	1.5
188.07060	26.6
192.10252	0.8
193.04950	0.9
193.12379	0.9
195.02881	0.7
196.07574	3.0
196.11208	1.3
198.07817	3.3
198.12758	1.5
199.14857	0.8
201.05461	1.7
201.12743	0.8
201.16389	0.8
203.14081	0.8
203.17827	0.7
207.04375	0.8
207.06528	0.8
211.07373	1.2
212.14366	15.4
213.10228	5.4
214.08627	38.3
216.10042	0.8
219.06549	2.6
224.14307	1.1
229.04948	2.7
230.15375	6.0
231.11279	63.7
241.09627	0.9
241.17107	0.8
243.10286	1.3
257.04370	1.6
257.15323	0.8
257.22418	0.8
259.10757	7.3
260.05646	0.8
268.13434	1.7
271.09601	1.3
274.04660	0.7
285.04227	0.9
285.08142	2.2
285.12457	1.3
285.15897	6.9
285.22128	2.7
287.05057	0.8
288.05341	1.4
303.04965	34.5
303.08749	19.2
303.12833	1.3
303.16714	5.1
303.23117	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	303.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01870	1.6
55.05510	5.1
56.05028	2.1
57.03438	1.0
57.07066	1.1
65.03931	1.3
67.05501	14.5
68.99785	1.8
69.03429	3.2
69.07070	7.2
70.06589	2.7
70.73963	2.8
71.04981	3.3
74.02450	4.7
79.05491	9.0
81.03405	2.8
81.07056	23.8
83.04979	2.7
83.08617	1.8
84.08134	0.9
85.06531	3.2
86.09702	1.1
91.05487	9.8
93.07048	16.6
93.07629	1.2
95.04964	6.7
95.08611	17.4
97.02895	2.4
97.06525	2.2
97.10143	1.4
99.04479	1.2
99.08099	1.3
102.05531	2.4
103.05463	1.6
105.07032	11.8
107.04955	2.2
107.08599	9.7
108.05787	0.9
109.02888	2.1
109.06518	2.0
109.09485	1.2
109.10165	17.5
110.07182	1.9
111.08109	2.1
115.05450	1.5
117.07040	3.9
118.06535	4.6
119.04945	4.2
119.08578	10.1
120.08115	1.3
121.02840	1.2
121.06492	2.2
121.10146	7.4
122.06059	1.0
123.04432	17.4
123.08096	2.7
123.11721	3.5
125.05981	1.1
125.09602	2.0
128.06192	1.0
129.06993	2.9
130.00529	1.3
130.06538	20.2
131.04901	1.0
131.08527	5.9
132.08095	4.9
133.06499	1.8
133.10139	7.5
135.04393	2.5
135.08031	2.1
135.11707	2.7
136.07584	1.4
137.02350	4.2
137.05966	2.8
137.09662	2.1
139.03912	4.1
141.01817	1.9
141.06956	1.4
142.06541	1.9
143.07304	10.7
143.08560	3.3
144.08087	49.2
145.06546	1.1
145.10106	6.1
146.06024	13.2
147.04407	10.9
147.08038	5.6
147.11716	4.9
148.07552	2.6
149.02292	1.1
149.05945	1.4
149.09607	3.7
149.13254	3.3
151.03911	18.0
151.07472	1.9
151.11208	1.0
152.07126	1.1
153.01830	8.0
153.05450	1.5
153.06960	1.3
154.06514	16.3
155.07237	2.5
155.08528	2.1
156.08099	8.2
157.08945	1.6
157.10167	3.0
158.09657	100.0
159.04408	1.2
159.08031	1.6
159.11693	4.4
161.05994	2.2
161.09605	2.4
161.13264	2.8
163.03857	3.2
163.11246	1.8
163.14819	1.0
165.01842	1.3
165.05475	3.4
165.06949	2.1
165.09116	1.8
165.12825	1.1
167.07230	2.3
168.08083	45.7
169.06441	1.2
169.08887	5.5
169.10161	1.5
170.06020	2.0
170.09630	6.6
171.11754	1.5
172.07596	2.4
173.05916	1.8
173.13260	3.6
175.11160	2.5
175.14912	1.6
176.10551	1.3
177.05464	2.6
177.12811	1.0
179.06984	1.0
181.04947	3.4
182.09656	1.7
183.08072	1.5
183.10420	1.9
185.10698	1.9
185.13274	1.3
187.12320	1.1
187.14871	2.7
188.07074	22.1
188.12128	1.0
189.12859	1.3
191.14349	1.1
192.10315	1.3
193.04991	2.7
196.07619	2.9
198.12766	2.7
199.14677	1.2
201.05354	1.3
201.12717	1.1
203.14403	1.1
207.06619	1.6
211.07610	2.7
212.14345	16.3
214.08638	39.2
215.14336	1.2
219.06551	3.7
219.17438	1.3
226.12448	1.3
228.14680	1.3
229.04985	3.5
229.15723	1.0
230.15326	4.8
231.11279	57.7
240.12520	2.0
243.10263	1.4
243.17419	1.1
247.17029	1.5
257.04391	2.8
257.12939	1.1
257.15683	1.0
257.22736	1.4
267.21124	2.5
268.13309	1.9
271.09781	1.9
285.04175	1.0
285.07748	2.0
285.12231	4.5
285.15958	7.9
285.22113	4.5
285.92111	4.5
286.14243	1.1
303.04971	39.0
303.08594	13.4
303.13159	3.6
303.16931	19.7
303.23117	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	303.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01857	2.6
55.05503	3.7
55.52051	0.9
65.03935	5.8
67.05511	5.9
67.89738	0.8
68.99779	2.1
69.03414	1.9
69.07071	4.2
70.06596	1.2
71.04980	1.4
71.49162	1.0
77.03903	1.0
79.05479	6.3
81.03407	2.7
81.07064	10.1
81.97675	0.8
83.04985	1.9
83.08600	1.9
85.06547	1.2
86.09710	1.6
91.05485	7.9
92.05000	3.8
93.03445	1.4
93.07052	8.2
95.04989	4.6
95.08617	11.1
97.02879	1.4
97.06525	2.2
97.10170	1.2
99.04414	1.0
103.05449	2.4
105.07038	9.3
107.04936	2.0
107.08591	9.9
109.02877	3.1
109.06535	1.7
109.10161	7.1
110.09718	1.1
111.00802	1.2
111.04440	1.2
111.08124	0.9
113.69024	1.0
115.05471	2.1
117.07014	1.6
119.04993	4.3
119.05674	0.8
119.08580	7.6
120.04499	1.1
120.08104	7.1
121.02838	1.7
121.06512	2.2
121.10144	5.8
123.03585	1.7
123.04436	28.8
123.06802	0.9
123.08087	1.3
123.11699	2.3
127.03944	1.6
129.06929	0.9
131.04924	2.3
131.08562	3.5
133.06465	1.2
133.10135	6.8
135.04410	2.9
135.08076	2.0
135.11676	4.0
137.02339	7.7
137.06010	5.5
137.09679	1.2
138.05515	24.6
138.09149	10.1
139.03917	7.3
141.01790	1.3
141.07010	1.6
143.04938	1.5
143.08504	1.7
145.06508	1.4
145.10120	4.2
147.04398	8.9
147.08035	1.8
147.11705	5.9
148.03864	1.6
149.05931	2.0
149.13292	1.3
151.03900	26.1
151.07553	3.5
151.79938	0.9
153.01826	9.7
153.05452	2.7
153.06956	2.8
155.04857	1.1
155.08498	1.3
156.08359	1.0
157.10176	1.2
159.07953	1.2
159.11693	3.7
161.05974	4.5
161.13260	3.8
163.03932	4.1
163.05139	1.1
163.07538	1.5
163.11151	1.7
165.01823	2.5
165.05518	5.3
165.07027	3.5
166.05013	38.3
168.05699	1.8
171.11710	1.0
173.05978	3.1
173.13245	2.0
175.03781	1.0
175.14809	2.2
177.05438	2.5
178.04997	3.8
179.07066	1.3
181.04947	3.2
181.06435	1.8
181.08641	1.0
183.02867	1.2
183.08083	3.3
185.13332	1.0
187.14781	1.2
188.10732	1.3
189.05487	1.7
193.04980	3.7
196.10017	2.3
197.06044	2.2
198.09129	1.0
199.14908	1.4
200.09572	1.4
201.05515	5.1
201.13928	1.1
202.80894	1.0
203.17961	1.5
207.06548	2.4
211.07503	4.6
211.12303	3.0
211.14680	1.4
212.10727	3.9
214.12350	3.2
215.07153	1.1
215.10718	1.0
217.08762	1.4
219.06615	1.5
227.14246	1.1
229.04948	7.6
229.13509	4.2
229.15552	1.0
230.11739	2.1
232.13266	2.5
239.06966	1.5
239.11789	7.7
242.11707	2.6
243.10379	2.1
256.08359	1.0
257.04456	4.9
257.09286	2.6
257.12866	16.9
257.15393	0.7
259.11960	1.8
260.12784	5.0
267.11371	4.9
271.09735	5.1
272.11560	13.7
274.04907	1.1
274.09488	8.0
275.05569	2.4
275.14063	5.7
285.03857	2.7
285.07523	2.4
285.12344	31.5
285.22153	4.1
286.10492	1.3
303.05005	72.5
303.08688	15.1
303.13394	100.0
303.23041	14.7
304.05167	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02376	0.7
53.03955	1.8
55.01873	4.8
65.03934	1.6
67.05499	2.8
68.99794	1.4
69.03423	2.2
70.06576	0.9
70.73586	1.3
72.21330	0.6
72.66602	0.6
73.06554	0.8
79.05499	1.9
81.03425	1.8
83.01313	0.7
84.08151	0.7
85.02912	2.1
86.09128	0.6
86.09696	1.5
91.05499	3.7
93.03410	1.3
95.04977	6.0
95.58217	0.6
97.02927	2.0
98.20876	0.8
102.27877	0.6
105.03410	3.0
107.04981	1.7
109.02887	4.1
110.07178	1.2
111.04453	1.9
111.63847	0.6
115.05462	0.9
119.04936	11.6
119.31154	0.6
121.02889	1.1
123.04430	71.9
123.42620	0.6
127.03941	1.8
133.02858	0.7
135.04410	6.3
137.02391	1.2
137.05981	1.0
139.03902	22.5
141.05495	0.6
141.07344	0.9
143.04939	2.2
147.04411	32.3
151.03906	100.0
153.05487	5.0
156.07727	0.9
159.04565	0.7
161.05977	7.8
163.03894	8.1
165.05492	15.0
169.06512	1.1
173.06009	6.7
175.03944	1.6
175.07486	0.9
177.05470	1.1
179.03421	1.3
179.07002	3.4
181.04964	10.7
183.08247	1.1
187.07491	0.9
189.05484	2.0
193.04982	7.6
197.05931	1.3
199.07536	1.0
201.05411	1.0
207.06490	4.8
207.15060	0.7
215.07106	2.4
217.08600	2.0
239.07108	1.2
243.06546	1.8
257.08096	0.8
275.87894	0.7
285.07547	6.6
303.05301	2.3
303.08612	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	303.086
Annotation	Disporopsin
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	1.3
55.05505	1.8
57.03436	0.5
59.05008	0.5
65.03944	1.0
67.01866	5.4
67.05512	4.2
68.99787	4.2
69.03425	2.8
69.07062	1.8
70.06594	0.9
70.07755	2.1
71.04994	0.7
72.08147	0.5
74.02458	0.5
79.05479	3.2
80.68440	0.4
81.03408	1.5
81.07058	6.1
83.04970	1.0
83.08605	0.8
84.08154	1.3
85.02890	0.6
85.06532	0.9
86.09731	0.7
89.03902	4.1
91.05488	4.0
92.06593	0.4
93.03397	1.3
93.07043	3.8
95.04966	1.8
95.08611	4.7
97.02908	3.6
97.06523	0.8
97.10156	0.7
97.50592	0.5
98.21487	0.9
98.97568	1.2
99.08067	0.6
103.05450	1.0
105.03405	0.7
105.07030	6.3
107.04932	0.4
107.08601	3.9
108.29372	0.4
109.02901	1.1
109.06515	1.2
109.10174	3.2
110.07205	0.5
111.00813	1.7
111.04443	1.2
111.08072	0.6
115.05433	0.7
116.98605	0.7
117.03379	13.1
117.06996	1.8
119.04947	2.1
119.08594	5.2
120.08055	0.9
121.02875	1.1
121.06500	0.5
121.10126	2.7
122.03624	0.6
123.03581	0.8
123.04431	9.2
123.08095	1.1
123.11740	1.2
125.02354	1.0
125.06007	1.2
125.09617	0.6
127.03915	1.0
127.34486	0.4
129.07024	0.8
130.06546	2.2
131.04935	0.7
131.08562	1.6
133.06445	0.5
133.10146	3.8
134.03671	1.1
135.04413	1.8
135.07970	0.5
135.11671	2.2
137.02336	3.4
137.05977	4.9
137.09616	0.9
139.03914	2.4
139.04796	0.4
141.01875	0.7
143.07344	1.2
143.08606	1.2
144.08081	3.8
145.02844	22.2
145.10138	2.6
146.05997	1.5
147.04369	3.7
147.08115	0.7
147.11699	3.0
149.02448	0.5
149.05975	4.9
149.13280	1.3
151.03914	11.9
151.07536	3.4
153.01830	100.0
154.06448	1.1
156.08069	1.1
157.10168	0.7
158.09647	10.5
159.06715	0.5
159.11659	2.1
161.06009	1.1
161.09595	0.8
161.13246	1.8
162.03127	0.6
163.03897	2.8
165.01871	1.5
165.05551	1.1
165.06993	1.1
167.07320	0.5
168.05711	0.5
168.08087	5.4
169.08829	1.0
170.09651	1.0
171.02898	17.2
171.08369	0.4
171.11736	0.7
173.05986	1.5
173.13263	1.7
175.07576	0.5
175.14816	0.8
177.05469	35.2
177.12708	0.5
179.03409	7.0
181.04982	0.7
181.06512	0.7
183.02876	1.0
183.04382	0.8
183.07993	0.8
187.03836	0.8
187.14844	1.0
188.07027	2.3
191.06909	0.5
193.05002	1.0
193.15892	0.9
199.14830	0.9
201.05437	2.1
211.14778	0.5
212.14340	1.6
214.08633	3.3
215.09331	0.6
217.08669	0.5
219.06535	6.6
228.04312	0.6
229.04993	3.5
231.11299	5.8
243.10172	0.6
257.04407	1.5
260.05795	1.6
261.07617	0.7
271.09549	1.0
285.04068	0.8
285.07919	1.7
285.12320	1.1
285.15768	0.9
285.18860	0.8
285.22260	1.5
288.05310	2.3
303.04993	29.9
303.08606	54.6
303.16357	1.4
303.19836	0.8
303.23135	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	303.0864
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.03938	1.3
55.01881	3.2
65.03942	2.0
66.14420	0.6
66.92463	0.8
67.05490	2.5
68.99799	1.0
69.03427	1.1
69.31987	0.6
70.95287	1.3
77.03925	1.0
79.05490	1.8
81.03402	1.4
84.08056	0.6
85.02901	1.1
86.09653	0.6
91.05490	2.9
93.03421	0.7
94.27524	0.7
95.04984	4.5
97.02921	1.5
103.05453	0.7
105.03400	2.4
105.04530	0.7
107.04940	1.2
109.02903	2.4
111.04465	1.5
119.04959	9.8
120.08098	0.6
121.02852	0.9
123.04439	56.8
124.04731	0.6
127.03947	1.2
133.06528	0.9
135.04388	5.1
137.02332	1.0
137.05981	1.1
139.03909	18.2
142.98723	0.6
143.04970	1.5
147.04420	28.4
151.03915	100.0
153.05501	3.0
153.06796	0.6
161.05992	6.9
163.03922	5.9
165.05510	12.1
167.07074	4.5
169.06522	0.9
173.06009	4.6
175.03957	1.2
175.07506	1.2
177.05513	1.2
179.03423	1.3
179.07048	2.0
181.04977	8.9
189.05458	2.3
193.04980	6.6
197.06071	1.5
207.06563	4.8
211.07556	0.6
215.07053	1.1
217.08595	2.6
221.72678	0.6
239.06903	0.6
243.06564	1.2
257.08115	0.8
261.07629	1.1
267.06403	0.7
270.17386	0.7
285.07623	5.7
303.05588	1.6
303.08640	44.7
304.08807	0.7
312.97232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.03945	1.3
53.59304	0.5
55.01870	4.4
59.83548	0.6
60.36914	0.6
65.03953	1.5
67.05510	2.1
68.99799	2.4
69.03426	1.1
70.06590	0.8
70.94994	1.5
72.08109	0.6
77.03956	1.1
79.05503	1.5
81.03417	1.4
84.08132	0.8
85.02892	0.9
86.09716	0.8
91.05475	3.6
93.03381	1.2
95.04972	4.8
97.02902	1.6
104.40858	0.6
105.03391	2.3
107.04964	1.6
109.02885	3.9
111.04449	2.4
115.05475	1.1
119.04937	10.1
121.02841	1.0
123.04429	59.0
125.02356	0.7
135.04433	4.6
137.02351	1.6
137.05988	1.4
139.03903	19.1
140.72783	0.6
141.06926	0.6
143.04936	1.6
147.04408	28.1
149.05949	1.3
151.03899	100.0
153.05453	3.3
153.06659	0.5
159.04472	0.7
161.06032	5.7
163.03920	6.3
165.01826	1.0
165.05484	12.8
165.06841	0.8
167.07118	0.6
169.06474	0.7
173.05995	5.8
175.03943	1.0
177.05353	0.8
179.03441	0.9
179.07039	2.4
181.04938	7.5
185.05811	0.7
187.07475	0.7
189.05432	2.3
193.04938	7.3
197.06029	1.1
201.05412	1.1
207.06525	3.9
211.07576	0.9
215.06976	1.7
217.08571	1.9
219.06544	0.6
229.37402	0.6
239.07025	1.4
243.06557	1.4
261.07556	0.7
262.89056	0.6
267.06473	0.7
285.07614	6.2
285.12283	1.2
303.04950	9.1
303.08545	48.6
304.08759	0.6
317.13715	0.8
318.60397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03941	0.3
53.85148	0.2
55.01874	1.5
65.03939	1.1
67.01851	0.5
67.05495	0.8
68.99442	0.3
68.99791	2.7
69.03417	0.5
69.17843	0.2
70.06577	0.6
71.04125	0.2
72.08144	0.5
77.03928	0.4
79.01858	0.2
79.05474	0.5
81.03423	1.6
82.62077	0.2
83.01306	0.3
84.08134	0.6
85.02895	0.5
86.09706	1.4
87.10054	0.2
89.03892	0.2
91.05492	0.9
92.05841	0.2
93.03425	0.9
95.04977	1.8
97.02900	0.5
97.22086	0.2
99.04478	0.2
103.05481	0.3
105.03397	0.8
105.07018	0.3
107.04954	0.7
109.02872	1.7
111.00814	1.4
111.04439	0.6
117.07017	0.3
118.22271	0.2
119.04939	2.6
120.08144	0.2
121.02884	2.5
123.04435	15.3
124.04786	0.2
127.03937	1.4
129.07007	0.2
129.10254	0.2
131.04913	0.5
132.25006	0.2
133.02826	0.2
133.06532	0.4
135.04422	1.7
137.02354	8.5
137.03424	0.6
137.05963	0.7
139.03905	4.7
140.05215	0.2
143.04903	0.8
145.02846	0.2
145.06485	0.6
147.03238	0.3
147.04420	6.6
149.02335	1.0
149.06049	0.3
151.03912	26.3
153.01836	9.9
153.05432	0.8
155.04881	1.1
157.06471	0.3
159.04427	0.4
161.05965	2.2
163.03920	3.4
165.01859	3.8
165.05515	2.9
165.06918	0.3
166.02597	0.4
169.06438	0.2
171.04553	0.3
173.05991	2.8
175.03943	0.4
175.07510	0.3
177.01852	0.2
177.05472	0.7
179.03423	0.7
179.07040	0.7
181.04984	2.0
182.08398	0.2
183.02910	1.6
183.04463	1.2
183.08334	0.2
187.03886	0.9
187.07478	0.3
189.05458	0.5
191.03474	0.4
191.07007	0.4
193.04959	1.8
193.06509	0.2
195.02856	0.3
197.06027	0.3
201.05482	4.2
201.07224	0.3
203.03342	0.2
205.04988	0.5
207.02797	0.2
207.06535	1.2
207.08452	0.3
211.03940	0.4
211.07565	0.4
213.05489	0.3
215.03465	0.4
215.07057	0.4
217.05040	0.2
217.08603	0.6
219.03012	0.2
219.06564	0.6
228.04260	0.6
229.04977	8.3
232.03496	0.2
233.04448	0.2
239.03494	0.3
239.07077	0.2
243.06563	0.3
246.05215	0.2
247.06070	1.2
257.04446	5.4
258.05075	0.2
261.03992	0.2
267.06525	0.3
274.04773	1.4
275.05484	0.4
281.60739	0.2
285.03979	2.4
285.07651	1.3
303.05054	100.0
303.08643	11.3
304.05411	1.7
306.17529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01865	0.5
65.03921	0.8
67.01860	0.3
67.05503	0.7
68.29693	0.2
68.99788	2.7
69.03418	0.7
69.07061	0.3
69.15558	1.1
69.15991	1.3
70.06579	0.6
70.36427	0.2
72.08138	0.3
79.05479	0.5
81.03411	1.0
81.07042	0.6
84.04483	0.2
84.08115	0.3
85.02886	0.3
86.09698	0.5
91.05482	0.8
93.03397	0.8
95.04981	1.5
95.08576	0.3
97.02843	0.4
98.20812	0.4
103.05466	0.4
105.03408	0.3
105.07024	0.4
107.04947	0.6
109.02891	1.6
109.10119	0.3
109.35310	0.2
110.03653	0.2
111.00815	2.3
115.05449	0.4
117.07028	0.5
119.04928	0.7
120.08083	0.4
121.02854	2.6
121.06488	0.3
122.06029	0.4
123.04436	3.7
127.03926	0.6
128.06215	0.3
129.06960	0.3
131.04910	0.8
133.02832	0.2
133.06407	0.3
135.04408	0.9
136.07597	0.4
137.02350	8.3
137.03384	0.6
137.05910	0.4
139.03891	1.0
140.07008	0.3
145.06479	0.9
146.06018	0.6
147.04433	1.8
149.02328	0.8
149.05930	0.3
149.09615	0.3
151.03905	4.3
151.07455	0.2
153.01828	10.9
155.04893	1.2
157.06569	0.4
159.04398	0.4
161.05956	1.4
162.05516	0.8
163.03882	2.2
165.01842	4.1
165.05540	0.6
166.02574	0.5
173.05981	2.4
174.37006	0.2
177.05417	0.3
179.03395	0.6
181.04871	0.4
183.02884	1.9
183.04437	1.0
187.03847	1.2
191.03400	0.4
191.06996	0.3
193.05000	0.6
195.02914	0.5
195.09071	0.2
201.05441	5.5
201.07207	0.4
205.05020	0.5
207.02812	0.3
211.03883	0.3
215.03377	0.3
217.08499	0.3
219.03047	0.4
219.06551	1.2
228.04144	0.9
229.04962	10.3
232.03809	0.2
239.03397	0.3
246.05273	0.3
247.05978	1.4
256.73926	0.3
257.04453	4.8
274.04742	1.4
275.05472	0.7
285.04025	2.1
285.07269	0.4
285.12244	0.4
303.04987	100.0
304.05304	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04745	0.2
53.03942	0.2
55.01871	0.5
55.11773	0.2
65.03925	0.6
67.01859	0.3
67.05490	0.5
68.99783	2.5
69.03401	0.3
69.51065	0.6
69.51495	0.5
70.06599	0.2
81.03408	0.9
81.07056	0.2
82.58382	0.1
90.38687	0.1
91.05472	0.2
93.03393	0.6
95.01276	0.2
95.04988	0.8
97.02896	0.3
97.19140	0.2
97.73085	0.1
103.05479	0.3
105.07065	0.2
109.02872	1.0
111.00809	2.2
115.05452	0.4
117.07039	0.4
119.04865	0.2
121.02121	0.2
121.02880	2.6
123.04443	1.1
127.03905	0.5
131.04892	0.5
132.06862	0.2
133.02867	0.2
135.04414	0.4
137.02351	8.9
137.03412	0.7
139.03891	0.2
145.06456	0.6
146.06012	0.3
147.04395	0.2
149.02354	0.9
151.03885	0.9
153.01826	11.5
155.04906	1.2
159.04436	0.3
161.05994	0.7
163.03874	1.3
165.01837	4.6
166.02594	0.5
173.02411	0.2
173.05997	1.9
177.01820	0.4
177.05536	0.4
179.03397	0.5
183.02881	1.8
183.04431	1.2
185.06065	0.2
187.03896	1.1
188.07106	0.2
191.03461	0.4
191.07056	0.3
195.02931	0.7
201.05476	4.7
202.42868	0.2
205.05013	0.3
207.02910	0.2
211.03937	0.4
213.05368	0.2
215.03441	0.2
219.03075	0.2
219.06445	0.5
228.04179	0.8
229.04956	10.0
230.05444	0.2
233.04514	0.2
239.03345	0.5
242.87648	0.2
245.04456	0.4
247.06001	1.2
257.04453	5.3
274.04785	1.3
275.05405	0.3
285.03882	2.1
285.88000	0.4
303.04980	100.0
304.05316	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	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.80177	0.2
55.01863	0.4
55.05506	0.5
57.03434	0.3
65.03941	0.6
65.14465	0.2
67.01861	0.4
67.05518	1.2
68.99798	2.5
69.03421	0.7
69.07056	0.3
69.83173	1.0
73.02912	0.3
77.65938	0.2
79.05511	0.9
81.03406	0.8
81.07057	1.5
83.04987	0.2
83.08616	0.3
84.08073	0.2
85.02910	0.3
85.06528	0.3
89.06023	0.2
91.05480	1.2
93.03399	0.7
93.07030	1.0
95.04956	1.4
95.08604	1.0
97.02899	0.5
97.06519	0.4
98.97591	0.2
100.11248	0.5
103.05488	0.4
105.03413	0.4
105.07020	0.8
105.94849	0.2
107.01352	0.2
107.04959	0.5
107.08584	0.9
109.02866	1.1
109.06528	0.2
109.10166	0.7
110.07173	0.2
110.16306	0.2
111.00813	2.3
111.04433	0.3
111.08049	0.2
115.05491	0.5
117.07050	0.5
119.04939	0.6
119.08569	1.0
121.02869	2.3
121.10129	0.5
123.03591	0.2
123.04443	2.8
127.03924	1.0
129.07019	0.4
131.04930	0.4
131.08577	0.5
133.06459	0.3
133.08611	0.2
133.10118	0.5
135.04402	0.7
135.11694	0.3
137.02350	9.3
137.03424	0.8
137.06009	0.4
139.03912	0.8
143.08496	0.2
145.02869	0.4
145.06500	0.8
145.10168	0.7
147.04413	1.3
147.11641	1.2
149.02377	0.9
149.06035	0.3
151.03896	3.2
151.07530	0.3
153.01825	9.6
155.04898	1.1
155.08635	0.2
157.06474	0.2
157.10124	0.4
159.04453	0.3
159.08092	0.2
161.05980	1.0
163.03880	1.7
165.01849	4.2
165.05493	0.3
165.12874	0.3
166.02672	0.5
168.05698	0.2
169.06436	0.2
173.05991	1.8
173.13266	0.2
175.11241	0.2
177.01880	0.2
177.05443	0.4
179.03432	0.5
179.08574	0.4
181.05011	0.2
183.02884	1.4
183.04407	1.0
183.08040	0.3
187.03860	0.9
191.03416	0.4
193.04961	0.3
195.02876	0.5
197.05873	0.3
201.05472	4.2
205.04991	0.5
207.02849	0.3
211.03874	0.4
211.07527	0.3
211.14737	0.3
213.05498	0.4
215.03424	0.3
217.04904	0.3
217.08630	0.2
219.02956	0.3
219.06566	0.7
225.05466	0.3
228.04207	0.6
229.04971	8.8
229.14404	0.4
239.03505	0.4
247.06052	1.4
250.79141	0.2
253.05019	0.3
257.04465	5.5
263.19186	0.2
271.09842	0.3
274.04688	1.2
275.05487	0.4
285.03922	2.2
285.07605	1.7
285.12198	0.5
285.22195	0.3
298.21701	0.2
303.04996	100.0
303.23083	0.9
304.05359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82117	0.4
56.96563	0.6
69.66748	2.2
69.93589	0.4
74.62740	0.4
77.68348	0.4
78.78613	0.4
78.96222	0.4
82.99854	0.6
98.97583	4.8
101.00888	3.2
116.98615	2.2
119.01922	3.8
132.77434	0.4
134.99753	0.6
140.98857	1.1
158.99908	3.2
177.00955	9.8
178.01076	0.6
182.99884	1.0
184.74454	0.5
201.00941	4.0
217.04108	1.9
219.02017	16.7
220.02130	1.0
221.01892	0.9
225.00874	2.6
236.99657	0.5
243.02008	13.1
244.02188	0.6
261.03070	100.0
262.03235	6.2
263.03064	1.2
269.00616	0.4
279.00568	1.4
282.99814	0.7
284.04642	1.1
284.99902	2.4
301.00995	1.0
302.97626	0.6
303.00864	2.8
303.04922	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.02381	0.1
53.03933	0.2
55.01870	0.4
58.05555	0.1
65.03936	0.7
67.01867	0.4
67.05489	0.3
68.99784	2.6
69.03416	0.2
70.06589	0.1
70.85458	0.1
70.85793	0.1
71.01337	0.1
77.03944	0.1
79.01835	0.1
79.05484	0.2
81.03411	0.9
81.07002	0.2
91.05474	0.3
93.03408	0.9
95.04959	1.0
97.02886	0.2
103.05467	0.2
105.03397	0.3
105.07052	0.2
107.01339	0.1
107.04930	0.2
109.02890	1.2
110.03650	0.1
111.00792	2.4
111.04461	0.1
115.05443	0.3
117.06989	0.6
119.04977	0.1
121.02864	2.3
123.04428	1.2
127.03925	0.5
128.06195	0.2
129.07039	0.1
131.04901	0.6
133.02843	0.1
133.06514	0.2
135.04405	0.7
137.02339	8.3
137.03397	0.5
137.05933	0.1
139.03877	0.2
143.04909	0.1
145.02846	0.2
145.06490	0.7
146.06012	0.1
147.04388	0.3
149.02379	1.0
150.03198	0.1
151.03917	0.6
153.01823	11.9
154.02116	0.1
155.04909	1.2
155.06041	0.1
157.06514	0.2
159.04428	0.3
161.02324	0.1
161.05984	0.9
163.03899	1.5
163.07613	0.1
165.01833	4.3
166.02606	0.6
167.03326	0.2
170.15802	0.1
173.02313	0.2
173.05989	1.7
177.01859	0.2
177.05461	0.4
179.03395	0.4
183.02876	1.6
183.04431	1.1
184.05042	0.1
185.05992	0.2
187.03876	1.1
188.07155	0.1
191.03410	0.5
191.07051	0.2
193.05013	0.1
195.02838	0.6
200.04613	0.1
201.05457	4.9
205.04944	0.5
207.02881	0.4
211.03854	0.5
213.05495	0.3
215.03374	0.2
217.05051	0.1
219.02887	0.3
219.06499	0.7
221.04361	0.1
228.04214	0.7
229.04958	10.1
230.05360	0.2
232.03639	0.3
233.04462	0.1
239.03476	0.5
245.04466	0.2
247.06004	1.5
256.03738	0.1
257.04431	5.6
258.04639	0.1
267.03036	0.1
274.04724	1.6
275.05396	0.4
285.03943	2.5
286.04520	0.1
302.04480	0.1
303.04971	100.0
304.05319	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
54.55662	1.2
55.01882	1.8
57.03426	3.6
61.02906	2.8
65.03931	5.0
67.05505	37.2
69.03432	17.2
69.07067	13.5
70.06588	7.8
71.03876	1.9
72.08141	4.9
72.22078	1.3
73.02913	2.3
73.68363	1.3
79.05486	1.4
81.03423	6.3
84.04525	2.0
84.08148	11.3
85.02907	47.7
85.07175	1.2
86.09708	14.6
91.05474	1.6
94.06580	2.3
95.04965	54.8
96.08136	1.6
97.02892	39.5
99.04441	2.7
100.07593	6.5
103.03930	3.9
107.04903	1.6
109.02882	11.0
110.06018	1.9
111.04474	1.6
112.07604	37.0
113.05999	3.6
115.03991	1.1
117.03374	2.7
119.04954	1.8
119.08569	4.4
122.06042	2.1
123.04429	11.5
124.07591	4.3
127.03921	7.9
128.07079	14.2
128.10698	3.1
129.10182	2.3
130.08641	3.7
132.04459	1.2
134.06049	1.3
136.07574	3.9
137.80458	1.1
138.09122	1.8
139.03885	5.1
140.04245	2.5
140.07065	100.0
145.02808	4.2
145.04942	3.8
147.04396	4.1
147.11311	6.2
150.49709	1.0
150.80373	1.1
151.03917	12.5
152.07021	2.8
154.08614	8.5
157.43199	1.2
161.06004	1.3
163.03922	1.6
164.07115	1.6
165.05537	1.3
177.05463	8.5
178.08626	2.1
181.04936	1.4
182.08131	70.0
193.04958	1.6
206.08147	16.3
216.10185	3.3
218.08162	1.2
227.14285	4.1
236.09102	2.5
245.29237	1.3
248.09219	9.4
256.10681	1.6
272.10211	4.8
274.71246	1.3
282.99429	1.2
284.06351	1.5
284.10651	1.1
302.07193	1.5
302.11697	5.9
302.17450	4.0
302.20154	1.8
303.05466	1.7
303.08621	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	302.15
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01856	1.9
55.71149	0.6
58.33844	0.5
68.05031	0.9
70.06595	37.1
71.49050	0.7
72.08150	1.5
75.24177	0.5
76.77239	0.5
84.04485	0.8
84.08131	1.3
85.02899	0.9
86.09707	2.8
91.05492	0.7
96.08118	0.8
104.78020	0.5
114.05534	22.9
115.05457	3.9
116.07099	18.3
117.05776	3.3
117.06989	0.9
118.06538	1.6
119.08565	2.9
120.08150	0.7
125.07121	5.0
125.07957	0.7
129.10260	1.2
130.06528	20.2
132.08098	50.7
133.08372	0.6
139.03914	1.1
140.04225	0.7
140.83755	0.5
142.06540	7.6
144.08084	15.6
151.03915	1.5
158.08385	0.6
159.09183	100.0
160.07587	4.4
160.09489	0.8
170.06017	24.1
171.07645	4.8
172.07588	4.3
175.01135	0.6
188.07034	0.7
216.10214	1.3
227.14352	1.4
242.13730	2.1
243.11267	0.9
256.11688	0.6
257.12839	4.5
284.10922	0.6
285.12344	52.8
286.12662	0.7
302.14746	5.4
302.17996	1.2
302.21249	0.7
303.05075	0.8
303.13843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01875	3.7
55.05505	4.4
56.05000	3.0
56.17813	2.6
57.03430	6.6
61.02921	6.6
61.75087	3.4
65.03944	3.5
67.05489	11.0
68.99751	4.4
69.03442	14.8
69.07056	6.7
70.06585	16.7
70.94363	6.9
71.04971	3.3
72.08150	22.3
73.02908	2.9
77.10007	2.8
79.05477	10.8
81.03404	11.3
81.07047	8.6
84.04471	4.2
84.08126	11.9
85.02908	98.4
86.09711	71.3
88.03960	3.0
88.07623	2.9
91.05472	5.2
94.06522	3.2
95.04952	12.2
97.02885	47.5
97.06532	3.3
99.04445	3.4
103.03957	7.3
107.04933	2.8
108.08123	20.8
109.02903	17.7
110.06041	3.5
118.08624	3.8
118.32243	2.8
119.04941	5.0
119.08523	2.7
120.08091	11.7
122.06015	10.3
123.04430	31.7
125.05997	6.1
126.05509	7.7
126.09120	3.9
127.03922	22.1
129.10211	5.0
130.06549	3.7
135.04364	4.2
136.07578	25.0
137.02307	4.6
139.03914	13.5
140.04218	3.3
140.07077	45.7
145.04951	10.7
147.04376	19.6
150.09084	4.3
151.03917	42.7
152.04202	4.4
152.07054	22.6
154.08661	8.1
157.13348	11.8
161.06044	3.3
163.03929	5.7
164.07056	26.4
165.05461	4.5
166.08612	4.5
178.08658	21.8
181.04959	5.5
182.08134	100.0
185.12831	9.8
185.16472	9.7
189.12349	5.5
199.18121	3.4
206.08124	40.5
218.08028	5.1
222.44934	2.7
239.87271	3.1
248.09187	11.9
302.14981	4.1
302.21393	3.9
303.04956	41.7
303.08603	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	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.2
57.03431	1.4
57.07065	4.0
67.05507	9.9
67.74596	1.1
69.07063	9.6
69.49968	8.2
79.05491	3.6
81.07056	9.0
83.08625	3.9
91.05461	5.9
93.07049	5.9
95.04990	2.0
95.08602	6.0
97.10168	6.4
103.05489	1.4
105.06986	5.9
107.08592	5.2
107.77234	1.1
109.06519	2.6
109.10168	8.6
111.11778	1.3
115.05460	2.0
117.07037	7.7
119.08595	10.2
121.06505	1.1
121.10157	3.0
123.04408	1.6
123.08092	1.5
123.11733	2.6
128.06230	1.3
129.07004	12.7
131.04936	3.5
131.08588	4.2
132.05737	3.2
133.10138	3.2
135.08057	2.5
135.11700	2.4
137.09645	5.0
142.07791	1.6
143.04897	2.8
143.08568	4.7
144.05746	1.5
145.06503	12.6
145.10092	3.0
146.07274	1.9
147.04417	1.4
147.11703	1.8
149.05988	9.3
149.13237	1.4
156.09285	1.5
157.06508	13.1
157.10147	3.4
159.08043	3.6
159.11707	1.5
161.05971	6.2
161.13234	3.1
163.07550	20.8
165.09117	7.5
171.08058	5.1
171.11646	2.7
173.09700	1.4
175.07533	16.4
177.09131	5.7
179.10651	2.8
180.20738	1.1
183.08134	1.2
185.09610	5.5
185.13284	1.4
189.05502	1.4
189.09117	8.5
191.10663	19.5
191.14316	5.5
193.12157	1.5
199.11203	2.7
201.09123	1.5
202.09892	3.3
203.10677	13.9
205.12242	95.8
213.12762	1.4
215.10579	1.8
217.12244	100.0
219.13780	7.7
231.13800	14.9
233.15208	1.5
241.15836	1.5
243.13907	2.6
245.13106	2.3
245.15404	29.7
259.16995	4.6
283.20538	1.6
301.14456	4.5
301.21619	32.9
301.25278	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01864	3.8
55.05510	8.8
56.05037	2.5
56.33743	1.7
57.03438	2.8
58.06604	3.5
61.02920	3.3
67.05499	4.5
69.03419	5.1
70.06595	18.5
70.18959	5.4
70.19355	4.0
72.08158	100.0
78.85572	1.7
79.05496	3.9
79.85120	1.6
81.03406	4.3
81.07075	4.9
82.06611	1.8
83.05050	2.0
84.04501	3.1
84.08158	12.2
85.02907	38.0
85.88279	1.7
86.09708	40.1
91.05481	5.2
95.04974	5.7
95.06108	1.9
95.44448	2.0
95.81813	1.8
96.08162	1.9
97.02892	17.0
98.06074	2.2
103.03943	2.7
105.07021	2.2
108.08115	5.6
109.02882	5.3
112.07558	2.8
118.82561	1.7
119.04929	3.1
119.08561	2.2
120.08098	3.6
122.06032	3.9
123.04436	14.1
124.07604	2.3
125.05962	3.0
126.05536	6.2
126.09191	3.0
127.03917	6.1
129.10240	5.7
130.06522	4.0
132.10220	10.9
134.06067	3.0
135.04396	2.2
136.07584	7.8
139.03922	14.7
140.04250	5.5
140.07077	20.9
143.11801	34.7
145.04945	3.0
147.04402	5.3
150.03111	2.2
150.09113	3.2
151.03891	20.9
152.04224	5.6
152.07048	11.5
153.01855	2.3
154.08495	2.6
157.07613	2.1
157.13367	4.1
163.03957	3.5
164.07059	8.7
171.11324	24.0
177.05571	2.1
178.08640	8.0
182.08127	41.2
182.09604	3.4
203.13918	10.2
206.08107	17.4
242.05228	2.9
248.09276	2.5
270.09052	3.3
302.04242	3.3
302.07321	5.3
302.12131	4.2
302.15259	2.8
302.21774	3.9
303.04999	9.0
303.08771	7.0
303.13110	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	301.2161
Annotation	CHEBI:68875
Peak:m/z	Relative Intensity
55.05516	3.2
55.78106	0.2
57.07064	0.3
57.45772	0.2
59.34021	0.2
67.05497	0.8
69.07069	3.6
69.26293	1.5
69.26700	0.5
81.07066	1.6
83.08617	2.8
85.06539	0.3
91.05444	0.5
93.07047	0.9
95.04989	0.2
95.08624	1.2
105.07021	0.5
107.04954	0.8
107.08572	0.4
109.10184	0.6
117.06956	0.3
119.08641	0.5
121.02852	0.9
121.06458	0.3
121.10123	0.9
123.11716	4.6
125.68291	0.3
131.08611	0.5
133.06488	0.8
133.10136	0.5
145.06488	1.0
145.10095	0.4
147.08066	2.2
149.09607	0.7
157.06529	1.4
159.08029	1.4
161.05945	0.4
161.09599	1.3
163.07538	8.5
163.11203	0.7
167.08524	0.2
167.65976	0.2
170.07297	0.3
171.08052	6.9
173.09636	1.1
175.07495	0.4
175.11095	0.6
177.09155	0.3
181.10144	0.4
185.09650	3.2
187.11226	0.9
189.09129	0.5
189.12688	0.5
191.10696	0.7
197.09520	0.4
198.10410	0.6
199.11220	2.8
201.12738	0.7
203.10658	0.8
205.12231	4.6
213.12755	7.4
215.14319	1.3
217.12212	0.6
225.12814	0.4
227.14368	1.3
240.15057	0.3
241.15849	1.4
245.15617	0.3
259.16956	10.0
283.20767	0.3
301.21613	100.0
302.21881	1.5
302.30475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.01870	12.7
55.05512	9.4
57.03438	25.3
59.56026	3.4
67.05507	63.4
69.03422	3.8
69.07059	13.0
70.06591	14.7
71.05000	11.5
72.08168	7.4
79.05069	6.5
79.05492	68.8
81.03419	6.9
81.07053	50.7
83.04989	10.7
84.04520	9.8
84.08141	10.0
84.44376	3.2
85.02882	4.7
85.06546	6.8
86.09703	13.9
91.05482	47.9
93.07050	52.1
95.04981	23.9
95.08618	10.1
95.59158	4.3
97.06528	26.4
99.04444	4.3
101.63588	3.8
103.03928	3.4
105.07026	22.5
107.04964	100.0
107.08611	30.7
109.06564	9.5
109.10126	4.1
111.04426	5.9
117.07006	22.6
119.08569	27.0
121.06458	5.9
121.10149	51.0
123.63843	3.5
125.06007	5.7
129.05400	4.7
129.06984	8.9
131.04968	6.0
131.08562	29.1
135.04391	8.0
135.11685	19.1
137.02278	6.4
139.03903	13.1
143.28755	3.7
144.08202	3.8
145.04721	3.6
145.06505	8.6
145.10118	56.7
146.05951	7.0
147.08051	6.2
149.09625	17.3
155.08563	12.7
160.07581	3.9
163.03908	7.3
163.11192	42.7
165.01811	6.6
165.07014	3.8
173.09615	53.8
181.12216	6.5
187.03876	3.5
191.03383	17.4
191.10660	66.4
209.11656	17.3
227.12833	8.6
255.06598	5.2
265.14249	7.6
273.08096	4.1
283.10507	4.0
283.15317	19.3
301.03876	5.3
301.07025	20.1
301.11160	8.6
301.16321	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	301.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13065	1.0
53.03935	1.4
55.01849	1.7
55.05507	5.3
56.05025	1.7
57.07079	12.5
58.06586	2.3
60.04529	7.6
61.04840	1.5
67.05502	8.8
69.03403	2.0
69.07054	4.2
69.34365	9.0
70.06592	16.2
71.05004	1.2
71.08611	3.8
75.24099	1.0
79.05486	5.9
81.07058	8.5
83.04965	2.6
83.08627	2.1
85.06548	2.2
85.10140	1.2
86.06066	2.0
88.07632	15.5
91.05474	9.1
93.07037	10.3
95.04959	5.2
95.08611	8.9
97.06519	2.1
98.21510	2.0
100.07596	3.2
102.09161	4.0
105.07035	16.1
106.04889	1.1
106.08665	9.9
107.04941	1.0
107.08592	9.0
109.06525	7.8
109.10145	9.7
111.08070	2.1
117.07019	5.7
119.08576	16.1
121.06494	2.5
121.10139	9.1
123.08078	1.4
123.11655	1.4
128.06232	1.5
129.06993	2.3
130.07773	1.2
131.08572	14.6
133.10126	11.6
135.08049	5.1
135.11659	3.4
137.09615	1.5
142.07753	1.9
143.08575	7.7
144.09306	2.0
145.10120	12.8
146.07281	2.7
147.08058	3.7
147.11682	4.8
149.09621	1.4
149.13243	2.5
155.98051	1.0
157.10138	6.1
158.10912	4.5
159.08022	2.2
159.11713	5.4
161.09633	16.4
171.11676	4.1
173.13260	27.5
175.11143	1.2
175.14780	4.1
179.08548	1.9
181.10048	1.1
183.11673	3.1
185.09613	1.3
185.13280	3.0
186.49178	1.1
187.14841	1.8
189.12628	1.2
191.14284	6.7
195.11649	1.9
197.13260	1.3
199.14769	3.5
201.12857	1.5
201.16428	2.0
209.13353	5.0
213.16481	1.5
217.15826	1.2
223.14792	1.5
227.14319	2.5
227.85211	1.2
265.19528	2.0
283.20670	5.8
283.28247	14.5
283.76791	1.3
284.29480	7.2
301.07019	1.6
301.21664	13.8
301.24847	2.0
301.26028	1.8
301.29282	15.3
301.32556	2.0
302.30527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	1.2
55.01858	0.6
55.05515	2.3
56.04793	0.6
56.05039	7.0
56.68580	0.4
57.03425	0.7
57.81583	0.4
58.06588	0.7
65.03939	0.5
67.05497	1.5
67.05837	0.4
68.05035	3.8
69.03415	0.5
69.07052	0.9
70.02934	0.8
70.06594	10.0
70.41489	0.4
70.41815	0.8
71.04986	1.5
72.04511	1.1
72.20549	0.4
74.02429	0.7
78.03406	0.3
79.05488	1.6
80.05022	6.3
81.07072	2.5
83.08584	0.9
84.04510	0.6
84.08121	1.2
85.06527	0.4
91.05471	2.7
93.07045	2.2
95.04965	1.0
95.08615	2.2
96.04456	1.8
98.06061	4.4
98.09701	0.5
98.20714	0.4
98.21284	0.6
99.00829	0.4
99.71947	0.3
100.03988	6.8
102.05546	7.9
105.03374	1.2
105.07038	2.1
106.06519	0.5
107.04960	0.8
107.08575	1.5
109.10172	1.2
110.06033	0.4
110.09676	0.7
111.04435	0.7
114.05536	7.5
115.05469	0.8
117.05747	1.2
117.07023	0.8
118.06546	5.4
119.04943	0.6
119.08585	2.1
120.04445	0.6
121.06567	0.6
121.10148	1.3
122.09663	1.0
123.11706	0.5
124.03944	1.0
129.07001	0.7
130.06531	17.1
131.07327	0.5
131.08557	1.2
132.04431	1.4
132.08095	13.1
133.10118	1.3
134.05986	0.9
135.11664	0.8
142.05026	1.9
142.06531	0.8
143.07281	2.2
143.08521	0.6
144.08089	8.9
145.10123	1.3
146.06015	9.3
147.11679	0.9
149.05894	0.5
149.09560	0.5
152.06178	0.7
153.06989	1.3
154.06514	0.8
155.07326	0.5
155.08513	0.5
156.08113	3.3
156.10220	0.9
157.07693	0.7
157.08876	1.9
157.10088	0.7
158.04794	0.8
158.06018	8.7
158.09641	5.9
159.06841	0.8
159.09250	0.6
159.11728	1.0
160.07571	1.5
160.11221	4.9
163.11145	0.9
165.07025	0.9
167.07361	3.6
167.08603	0.9
168.08092	5.1
168.10196	0.5
169.06406	0.5
169.07617	2.9
169.08865	1.2
169.10115	0.5
170.06058	0.9
170.07314	0.5
170.09650	1.2
171.06802	1.7
171.11748	0.4
172.07584	2.8
172.11206	5.5
173.09642	0.5
173.13205	0.6
174.09146	0.6
174.12817	1.4
175.08705	0.9
180.08090	2.0
181.06429	1.8
181.08905	1.2
182.08310	0.6
182.09677	1.7
183.06761	1.0
183.09216	1.8
184.07616	1.2
184.09856	0.8
184.11250	7.4
185.07072	0.7
185.08456	0.8
185.10803	1.3
186.07584	0.6
186.09166	8.6
186.12753	4.7
187.14856	0.6
188.07079	6.2
188.10718	6.9
191.03372	0.4
194.09624	0.6
195.09224	4.8
196.07640	0.5
196.09851	1.0
196.11363	4.5
197.13295	0.6
198.06760	0.6
198.12770	2.1
199.14899	0.4
200.10718	6.0
201.16371	0.5
202.12274	1.6
207.10387	0.5
208.11217	0.9
209.05876	0.5
209.10843	0.8
210.12982	2.2
211.07385	0.6
211.12410	0.5
212.10721	11.8
212.14217	0.6
213.08923	0.7
214.08795	0.5
214.12276	10.6
215.14398	0.6
221.12009	1.1
222.12769	2.0
223.07541	0.4
226.06244	1.0
227.06996	0.7
227.15524	1.8
228.13861	1.4
229.09805	1.8
229.13358	3.1
230.11719	0.9
231.11224	0.6
237.13846	0.9
238.12244	0.6
239.15443	4.9
240.10156	1.0
241.08664	0.9
255.10982	0.4
255.14952	9.7
255.17464	0.8
255.21103	0.5
256.13379	0.6
257.16537	2.7
258.05231	0.9
258.11331	0.5
266.11752	4.7
269.08176	0.7
283.14389	2.8
283.20557	0.8
284.13062	0.5
286.04797	0.8
301.07001	2.2
301.10870	4.5
301.15475	100.0
301.21432	4.5
302.15759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05454	0.9
57.03406	0.4
57.07020	0.4
59.78541	0.3
67.05445	1.5
69.03403	0.4
69.07011	0.8
70.06554	0.6
70.79724	0.3
71.04951	0.8
71.16112	0.5
78.04652	0.3
79.05424	1.1
81.07073	1.6
83.08578	0.7
91.05476	2.1
93.06968	1.1
95.04950	0.5
95.08614	1.7
97.06498	0.6
98.21207	0.5
100.03923	0.3
105.07021	1.7
107.04901	0.8
107.08524	1.2
109.10091	1.1
111.08029	0.3
117.06963	0.7
119.04917	0.5
119.08521	1.0
121.06496	0.7
121.10103	0.9
129.06880	0.4
130.06502	0.5
131.08559	0.7
133.10078	0.8
134.34096	0.4
135.11658	0.5
137.05946	0.7
139.03902	0.4
141.06949	0.3
144.08145	0.3
145.10042	1.0
146.05971	0.4
147.04367	0.4
147.11603	0.5
149.05945	0.4
149.09595	0.4
151.03932	0.7
152.06142	0.9
153.01813	1.8
153.07028	1.7
155.08409	0.4
157.06454	0.3
157.10095	0.5
159.11632	0.6
161.09587	0.4
163.11163	1.0
165.06958	1.4
167.08484	0.3
169.06448	0.6
170.07277	0.5
177.05479	0.5
180.05560	0.3
181.06474	2.1
183.08049	0.7
187.07474	0.6
195.08002	0.6
196.05177	0.4
197.05957	0.8
198.06755	1.8
208.05103	0.3
209.05954	0.7
211.07571	0.4
213.09062	0.8
215.07025	0.6
223.07504	0.6
226.06294	2.3
227.07091	0.5
227.18007	0.4
229.04955	2.2
240.07764	0.4
241.08566	2.1
251.07219	0.6
255.21053	0.3
257.04559	1.0
258.05255	44.1
259.05856	0.8
269.08084	0.9
283.20581	0.6
286.04733	56.0
287.05145	0.9
301.07114	100.0
301.10626	10.2
301.14694	2.0
301.21243	1.6
302.07376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Peltochalcone
Peak:m/z	Relative Intensity
53.00305	0.3
53.03915	1.1
55.01871	3.0
55.05489	0.5
65.03920	0.5
67.05489	1.5
68.99779	2.8
69.03424	1.8
70.06568	0.4
70.82847	0.8
71.01327	0.4
77.03873	0.5
79.05492	4.7
81.03419	2.3
81.07007	1.1
89.03897	0.3
91.05479	2.0
93.03396	2.6
93.07001	0.6
95.04974	2.3
95.08563	0.9
99.00812	0.5
103.05447	0.7
105.04510	0.4
105.07007	0.6
107.01280	0.4
107.04961	6.7
107.08540	0.5
109.02824	1.0
109.10140	0.4
111.04401	0.7
117.03340	1.0
119.04908	0.8
119.08559	0.5
121.02833	1.0
121.06470	0.5
121.10109	0.3
123.04421	1.3
127.03884	0.6
128.06242	0.4
129.06993	0.8
130.06509	0.7
131.04909	1.5
133.06456	0.3
135.04416	13.3
137.02347	33.8
137.03413	2.8
139.03865	0.8
141.01720	0.6
144.08141	0.4
145.02881	1.8
145.06471	0.4
145.10077	0.4
147.04453	0.4
149.05971	1.2
153.06940	0.5
157.06442	0.8
159.04388	0.6
161.05928	0.8
163.03905	24.0
165.01862	4.3
165.05486	13.3
165.06862	0.6
171.04430	2.2
173.05954	0.8
179.03410	0.5
181.06444	0.7
183.02907	1.5
185.05940	1.6
187.03906	3.7
189.05496	0.8
191.03389	100.0
192.03716	1.1
195.04283	0.5
197.05992	0.3
198.06757	0.7
199.03917	0.9
200.10629	0.4
203.07085	0.6
210.13023	0.3
213.05484	3.6
213.08949	0.4
217.05006	3.4
226.06357	0.5
239.15469	0.7
241.04942	3.2
241.08656	0.3
255.06587	0.3
255.11266	0.9
259.06021	17.2
260.06516	0.3
283.06100	0.4
283.11057	0.3
283.20615	0.4
286.04794	0.6
301.07126	17.6
301.10788	2.9
301.15381	3.4
301.21259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Peltochalcone
Peak:m/z	Relative Intensity
51.02380	0.3
53.03939	0.6
55.01875	3.4
55.05506	0.5
56.05025	0.4
56.71902	0.3
65.03924	0.7
67.01857	0.4
67.05505	1.4
68.99784	2.9
69.03429	2.3
69.07064	0.5
70.06568	0.5
70.16304	1.2
77.03921	0.6
79.01852	0.3
79.05074	0.5
79.05496	5.9
80.05006	0.9
81.03413	1.5
81.07070	2.0
89.03909	0.9
91.05466	1.4
93.03391	1.0
93.07040	0.7
95.04966	2.4
95.08565	0.4
98.06054	0.4
103.05467	0.7
105.04553	0.4
105.07034	0.5
107.01322	0.6
107.04951	6.6
107.08566	0.3
109.02881	0.8
109.10123	0.4
110.73487	0.3
111.04481	0.3
114.05532	0.4
114.71388	0.2
115.05509	0.5
117.03365	0.8
119.04906	0.7
121.02850	1.0
123.04434	1.0
127.03890	0.5
129.07013	0.8
130.06575	1.9
131.04927	1.6
131.08545	0.4
133.06467	0.3
133.10136	0.3
134.03712	0.3
135.04419	14.8
137.02350	26.5
137.03416	2.5
138.02634	0.3
139.03918	1.3
141.01813	0.8
141.06972	0.3
143.07358	0.4
144.08070	0.7
145.02843	2.5
145.06567	0.4
145.10123	0.6
146.05997	0.9
147.04382	0.3
149.05971	0.9
151.03917	0.5
152.06200	0.3
153.06985	0.8
156.08186	0.4
157.06480	1.1
157.10159	0.4
158.06055	0.6
158.09570	0.4
159.04384	0.8
160.07558	0.3
161.05972	0.8
163.03906	25.3
165.01846	3.7
165.05484	15.5
165.06830	0.4
167.07338	0.6
167.08641	0.3
168.08075	1.1
169.07631	1.0
171.04402	0.9
173.06029	0.3
177.05464	0.6
180.08038	0.4
181.06422	0.7
181.08850	0.6
183.02896	1.1
183.04385	0.3
184.11209	0.8
185.05946	2.1
186.07681	0.3
186.09135	0.4
187.03909	3.2
188.07111	0.3
189.05457	1.3
191.03391	100.0
192.03764	0.7
195.09190	0.5
196.11191	0.7
197.05977	0.4
198.06764	0.3
199.03963	0.7
203.06973	0.5
210.12845	0.4
212.10651	0.4
213.05440	4.3
217.04993	3.0
226.06429	0.3
229.13457	0.4
239.15399	0.9
241.04927	3.4
241.08647	0.8
255.06560	0.4
255.14957	0.6
257.12927	0.4
257.16339	0.3
258.05270	1.2
259.06021	16.9
272.10751	0.3
283.06122	0.8
283.14374	0.8
286.04764	1.6
301.07056	14.7
301.10980	3.3
301.15292	7.0
301.21448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1805
Annotation	Indicine
Peak:m/z	Relative Intensity
54.10826	2.5
55.01866	5.1
55.05504	12.0
55.78897	2.6
56.05036	3.8
56.05849	2.9
58.69970	3.2
59.09141	2.5
62.85582	2.6
64.43851	2.7
67.05508	26.0
68.78780	2.8
69.07062	12.4
70.06577	6.4
70.94626	3.0
71.04990	6.4
71.49358	3.6
72.08167	3.9
79.05489	20.0
81.07056	68.2
83.04951	6.7
83.08620	8.9
84.08140	2.9
85.06555	4.1
86.09724	4.5
90.05556	100.0
90.70448	2.7
91.05469	18.7
92.05774	3.7
93.07040	15.0
95.08591	15.8
97.06527	3.5
105.07026	33.1
106.07323	3.3
107.08580	8.8
109.06498	5.4
109.10146	6.2
119.08574	21.0
121.10146	18.5
123.11709	20.9
127.07564	3.4
131.08545	4.0
134.10402	4.4
147.11694	55.5
162.09941	3.1
165.12772	28.1
181.06546	3.3
183.13878	4.9
190.09422	3.3
200.35281	2.9
219.13805	8.6
226.11575	3.4
229.14243	14.3
236.16454	39.4
254.17514	50.2
257.08228	3.8
263.53357	3.5
282.17053	18.6
285.07584	8.9
300.06122	6.6
300.09811	13.2
300.15387	17.1
300.20432	4.8
301.10669	7.4
301.15363	15.9
308.04816	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	300.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01875	2.9
55.05507	1.5
56.05038	2.7
57.03424	0.6
58.99585	5.8
67.05502	3.9
68.05027	0.5
69.07069	1.3
70.06594	2.7
71.04984	0.5
71.35776	0.8
72.08137	1.5
76.02213	1.4
79.05501	3.9
81.07072	4.6
82.06587	0.9
84.08135	0.8
85.00648	0.9
85.01128	10.3
86.00656	28.6
86.99046	1.5
87.02695	12.6
88.02168	0.7
88.03982	1.5
91.05485	1.3
93.07032	1.7
95.04958	0.5
95.08598	3.3
98.09115	0.7
98.09701	8.6
100.02254	0.6
102.03722	0.7
105.00093	1.1
105.07032	1.5
106.07269	0.5
107.04948	0.9
107.08593	0.6
108.08197	0.6
109.10153	2.6
110.09648	0.8
113.04237	7.3
119.08609	0.5
122.09670	0.7
130.06795	0.9
131.01619	1.6
132.01155	47.4
133.10098	0.8
136.06223	1.2
137.09471	0.5
138.05495	0.6
139.03891	0.5
151.14847	1.4
156.08430	5.1
159.04759	32.9
176.07401	1.1
179.14352	2.0
181.06468	0.7
185.06294	1.9
191.03293	0.5
202.08972	100.0
203.09315	0.9
239.06898	0.7
254.15869	1.3
266.46854	0.5
271.05917	0.6
282.15222	0.9
285.07703	1.1
286.91345	0.6
300.05920	1.7
300.09662	1.1
300.16345	5.6
301.07004	1.3
301.11426	1.7
301.15411	1.2
301.21695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Przewalskin D
Peak:m/z	Relative Intensity
53.03920	1.1
55.05514	32.3
57.03408	0.7
60.04510	1.5
67.05479	2.0
69.07057	1.4
71.04958	0.6
79.05466	0.8
81.07064	3.0
83.08620	30.4
91.05460	2.0
93.07034	1.4
95.08607	1.5
97.06504	0.7
99.00806	1.2
105.07014	1.5
107.08566	0.7
109.10107	1.0
113.24598	0.6
129.07037	0.6
131.08545	2.2
133.10107	2.1
137.06520	0.7
141.06972	1.0
144.05714	1.1
145.10153	0.8
153.07042	0.6
155.08537	1.1
157.10193	0.7
159.08073	4.0
161.09645	1.0
171.08034	1.1
173.09624	1.1
173.13304	0.9
175.07527	1.1
179.10677	0.6
183.08037	1.7
183.11740	0.8
186.06799	0.9
187.07545	45.9
189.09167	1.0
195.08130	0.7
197.09587	1.0
198.14230	0.6
199.07564	0.9
200.08385	1.5
201.09106	6.8
201.12753	0.8
211.11108	0.9
213.09055	2.2
214.09781	1.3
215.10692	0.7
217.12343	0.8
229.12239	100.0
230.12657	0.7
239.14267	1.5
243.13823	9.8
256.14655	1.3
257.15384	15.9
281.19043	1.0
281.26624	0.7
290.66608	0.6
299.05408	2.9
299.20065	37.1
299.27301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.46626	0.9
55.05516	15.1
57.03420	1.3
57.07076	5.7
59.63124	1.0
67.05505	25.7
69.06693	1.0
69.07066	19.9
69.73156	4.6
69.73577	1.6
71.08612	1.8
79.05501	10.6
79.48106	1.0
81.07052	40.0
83.04951	1.9
83.08606	9.0
85.10161	1.5
91.05476	10.4
93.07044	24.4
93.50910	1.0
95.04992	1.2
95.08608	65.6
97.10156	9.1
98.20757	1.3
105.07029	24.1
107.08588	31.4
109.10160	41.3
111.04427	1.3
111.11689	2.0
117.07014	2.0
119.08579	25.0
121.06495	1.1
121.09335	1.7
121.10141	23.1
123.08099	1.1
123.11710	17.2
131.08594	6.1
131.09418	1.0
133.10133	21.4
135.08017	1.4
135.11676	16.0
137.13263	8.5
143.08502	1.4
145.10091	8.6
147.11684	25.0
149.13263	15.6
151.07426	1.1
151.11166	1.2
151.14870	1.4
157.10077	2.0
159.11700	10.0
161.13257	27.9
163.14818	8.6
171.11845	1.7
173.13249	5.0
175.14838	11.3
177.16385	8.2
185.13249	1.1
187.14818	4.7
189.16406	17.0
191.17935	9.4
201.16362	9.7
203.17944	19.5
205.19389	1.5
215.17966	12.1
217.19547	12.6
225.16397	1.0
229.19490	7.0
243.21017	5.9
257.22604	4.3
281.22638	1.8
299.05447	5.0
299.15009	2.4
299.20056	2.7
299.23654	4.6
299.27316	100.0
299.34680	2.7
300.27817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.00305	2.8
53.03944	2.8
53.47941	2.0
55.05512	12.1
55.26298	2.4
57.03443	5.3
57.07083	3.0
59.39204	2.3
67.05517	17.6
67.88422	2.0
69.07072	5.8
71.04951	2.3
71.48773	2.8
71.49130	2.6
72.45034	1.9
76.87605	2.0
77.94393	2.3
78.01445	2.0
79.05496	13.0
81.03409	3.8
81.07047	16.2
83.04971	4.3
83.08604	8.8
84.56218	2.0
85.87611	2.1
87.89793	2.0
91.05476	45.6
93.07035	15.7
95.04961	4.4
95.08624	10.7
95.75247	2.0
97.02882	3.8
97.06420	2.3
99.00814	10.6
99.04412	2.5
105.07027	29.6
107.04997	2.7
107.08591	12.5
109.02892	3.1
109.06564	4.3
109.10168	7.6
111.08099	3.2
115.05450	3.9
116.06242	6.6
117.07013	4.9
119.04947	6.8
119.08585	23.2
121.06484	7.4
121.10123	6.8
123.08176	3.2
123.11694	2.4
125.09658	4.6
126.12801	2.2
127.03847	2.2
128.06236	2.3
128.46184	2.1
129.07001	9.3
131.08575	42.6
133.06522	2.4
133.10147	27.3
135.08081	4.5
136.06172	3.0
137.05948	2.1
141.07011	2.4
142.07776	2.7
143.08545	9.3
145.10092	7.9
147.08109	2.9
147.11732	3.2
149.09630	5.7
151.07582	2.5
151.11205	4.7
156.09285	3.3
157.10133	7.7
158.20633	2.6
159.08055	100.0
159.11687	5.3
161.09639	11.2
165.01823	2.7
169.10091	3.0
171.08047	3.4
171.11702	6.8
175.06267	1.9
175.83478	2.3
179.10687	6.8
182.10873	2.5
183.11821	3.2
185.13297	3.4
187.11197	2.6
189.09079	4.6
189.12773	6.4
195.11604	3.9
197.11676	2.3
197.13283	4.9
199.11166	8.0
202.29646	2.2
206.10791	3.1
207.10023	3.3
211.14745	2.9
225.11044	4.5
225.12949	3.7
253.15894	2.4
263.17947	4.0
273.57773	2.2
281.19009	24.6
286.60962	2.4
297.03873	2.5
299.05603	24.0
299.09268	8.7
299.15170	10.6
299.20068	49.3
299.23450	2.1
322.96194	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	16.8
53.03935	7.5
55.01876	10.4
55.05511	48.7
57.03439	30.7
57.07077	2.1
59.04989	7.6
61.02922	2.0
63.67616	1.8
65.03927	3.5
67.05504	35.6
68.99789	4.6
69.03427	9.2
69.07063	11.7
70.06576	6.5
71.01347	5.8
71.05004	9.4
71.50456	2.2
72.08149	2.9
73.02905	4.5
73.43990	1.8
79.05492	25.0
81.03413	17.7
81.07059	54.5
83.04971	11.0
83.08618	27.5
84.04488	1.7
84.08138	5.3
85.02893	6.3
85.06529	6.1
86.09694	6.0
91.04904	2.8
91.05481	53.2
93.07040	40.2
95.04981	15.1
95.08608	24.3
97.02886	12.1
97.06522	12.9
97.10172	5.3
99.00817	59.1
99.04422	2.5
103.05479	4.3
105.07039	45.9
107.04962	29.4
107.08590	21.8
109.02877	31.7
109.06502	10.7
109.10157	15.9
111.04426	7.0
111.08098	10.9
113.05990	2.1
114.09238	2.0
115.03909	9.1
115.05444	3.5
117.07004	9.1
119.04939	3.9
119.08578	29.2
121.02848	3.2
121.06494	17.4
121.10143	8.5
123.04459	9.3
123.08044	6.7
123.11711	8.9
127.03909	6.4
127.88920	1.8
128.06213	4.8
128.07088	2.3
129.05518	2.3
129.06944	2.9
130.06480	3.1
131.04860	3.6
131.08553	8.0
133.06441	4.9
133.10132	80.1
135.04404	2.9
135.08083	4.8
135.11691	7.9
136.06171	4.0
137.02333	7.7
137.03333	1.8
137.05862	9.1
137.09567	4.7
137.13261	5.6
139.07547	9.9
141.01799	4.7
141.06970	2.5
143.08559	14.3
145.06494	3.0
145.10141	3.5
147.04430	2.6
147.08052	5.5
147.11748	4.1
149.09618	3.2
151.07495	2.0
151.11185	24.9
153.06953	2.7
153.12784	2.8
157.10100	3.0
161.06003	2.9
161.09608	51.3
163.11153	3.4
165.01823	26.0
165.09120	5.1
165.12740	4.6
167.14352	3.2
170.06023	3.8
171.08089	7.7
175.07536	3.8
179.09010	3.3
179.10660	30.2
183.02864	9.5
187.03946	2.3
189.09094	33.8
193.04958	3.0
197.11742	12.6
199.14796	2.4
203.03374	2.5
203.10732	1.7
207.08379	3.3
207.10104	13.8
225.11215	35.4
237.11057	2.6
243.12231	5.7
245.15414	1.9
253.05113	1.8
263.16489	3.7
267.12183	12.7
271.06104	3.7
281.17599	5.9
297.03998	5.2
299.05545	100.0
299.09271	9.6
299.14951	68.2
299.18396	4.0
300.06036	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	13.7
53.03939	5.3
55.01861	9.3
55.05236	2.4
55.05511	46.5
57.03437	30.8
57.07056	3.1
59.04990	7.4
61.90231	2.1
62.29390	2.1
65.03939	3.7
67.05503	39.7
68.99767	2.1
69.03427	5.1
69.07059	7.2
71.01347	4.0
71.04974	6.2
71.49267	2.4
71.49638	3.6
73.02908	2.8
76.05608	2.0
79.05156	2.2
79.05502	26.4
81.03432	12.4
81.07050	50.2
83.04967	7.0
83.08623	24.7
85.06537	8.5
91.05479	67.0
93.07040	32.9
95.04978	12.4
95.05486	2.4
95.08617	14.4
97.02901	9.6
97.06529	8.9
97.10135	4.1
99.00819	56.6
103.05476	3.7
105.07034	53.6
107.04936	11.3
107.08599	18.7
109.02875	23.5
109.06509	8.5
109.10134	19.6
111.04443	4.4
111.08067	5.4
115.03923	6.4
117.07012	8.8
117.53775	2.0
119.04952	4.7
119.08575	26.3
121.06508	13.8
123.04401	5.0
123.08024	3.1
123.11710	7.1
127.03918	7.3
128.06229	4.2
129.06944	2.3
131.08566	6.6
133.06479	4.3
133.10121	100.0
135.08047	3.4
135.11737	2.6
137.02271	2.3
137.05965	5.1
137.09645	2.8
139.07533	5.0
140.13626	2.0
143.08551	12.9
145.06471	4.9
145.10124	4.3
147.08000	4.3
149.09593	3.8
151.11172	28.8
152.55792	2.1
161.09619	54.8
165.01901	4.9
165.09216	3.3
169.10194	2.2
171.08032	8.5
171.11668	2.9
179.04979	2.3
179.10658	30.1
187.11183	2.4
189.09094	28.2
197.11728	9.9
197.13336	2.3
203.10730	2.1
207.10141	11.3
213.05479	2.0
225.11189	31.1
226.05370	2.2
243.12288	6.9
275.04132	2.5
297.03781	3.1
299.05539	24.5
299.08847	3.4
299.11749	4.0
299.14880	68.8
299.20117	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	21.8
53.03956	6.4
55.01866	10.5
55.05514	72.4
57.03439	40.3
57.07062	7.8
58.09615	2.8
59.04987	8.1
67.05185	3.6
67.05508	43.5
69.03417	7.4
69.07058	12.7
69.44870	2.7
71.01340	6.4
71.04974	4.6
71.49542	4.5
73.02910	2.6
73.81069	2.6
77.74220	3.1
79.05499	29.7
81.03439	14.8
81.03835	3.0
81.07058	63.3
83.04977	8.9
83.08619	41.8
85.06542	5.0
88.41123	2.6
91.05482	60.2
93.07050	51.9
95.04964	12.6
95.08615	27.6
97.02879	11.1
97.06522	8.6
97.10184	5.8
99.00819	72.9
99.01787	3.7
99.04407	2.8
103.05458	6.2
105.07028	60.1
107.04945	18.5
107.08585	29.6
109.02886	33.5
109.06512	6.0
109.10164	26.7
111.04456	5.0
111.08081	12.2
113.06023	4.3
115.03929	9.4
115.05423	3.3
117.07022	10.4
119.04928	2.8
119.08583	60.6
121.02844	2.5
121.06483	22.8
121.10135	6.6
123.04441	5.8
123.11743	13.3
127.03920	7.3
128.06229	4.4
129.07010	4.2
131.08534	12.0
133.06493	4.8
133.10133	100.0
135.08061	4.5
135.11707	7.9
136.06204	3.0
137.06015	4.6
137.09592	3.9
139.07536	9.7
139.95894	2.9
143.08540	16.6
145.10098	8.4
147.11621	7.6
151.11166	38.1
159.11696	5.0
161.09636	66.3
161.13216	6.4
163.03879	2.8
165.09116	3.6
165.27957	2.9
167.38994	3.0
169.10187	3.0
171.08069	11.1
173.13188	3.8
173.51408	2.9
175.14833	3.4
179.10698	38.2
185.13223	3.4
189.09117	35.5
189.16292	3.9
197.11728	14.9
207.10100	16.1
208.46176	3.1
225.11206	47.5
243.12126	4.5
281.22681	2.7
299.05502	8.8
299.14880	87.3
299.20053	23.0
299.23627	15.9
299.27225	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46590	1.8
52.48731	1.8
52.82684	2.0
53.00087	1.7
53.00306	19.9
53.03952	8.5
55.01872	10.5
55.05511	57.4
57.03437	36.4
57.07048	3.1
59.05005	10.3
65.03944	2.6
67.05505	35.1
69.03417	5.2
69.07049	7.5
71.01348	6.4
71.04967	3.5
77.03983	1.8
79.05491	24.3
81.03432	12.5
81.06594	2.9
81.07054	52.8
83.04972	10.0
83.08618	35.8
85.02891	2.1
85.06538	3.9
91.04904	3.3
91.05479	60.2
93.06487	3.5
93.07041	45.6
95.04971	11.8
95.08604	13.8
97.02888	14.0
97.06530	8.2
97.10168	2.4
98.21497	5.2
99.00819	73.9
99.04438	2.6
103.05446	5.1
105.07034	51.3
106.40797	2.0
107.04954	17.6
107.08602	22.3
109.02881	33.4
109.06500	9.1
109.10158	16.5
111.04409	5.4
111.08065	9.4
115.03906	8.0
117.07023	7.2
119.04965	2.9
119.08587	37.5
121.02879	2.6
121.06501	19.6
121.10188	2.1
123.04385	5.1
123.08068	3.9
123.11678	6.5
127.03905	7.4
128.06232	4.0
129.07089	1.7
131.08543	3.4
133.06473	4.5
133.10130	100.0
135.08035	5.5
135.11650	2.5
137.06018	3.7
137.09578	4.8
137.25119	2.1
138.04733	1.9
139.07541	11.1
143.08559	11.0
145.06468	4.1
145.10172	4.4
147.04437	1.8
147.08055	4.4
151.07500	1.8
151.11191	32.7
161.09615	53.1
161.13161	2.4
165.09166	3.2
168.77655	1.9
171.08037	11.6
179.10654	37.8
189.09106	36.2
197.11729	12.2
207.10199	11.9
225.11220	45.8
225.16087	2.0
243.12207	6.0
249.26628	1.8
299.05524	3.1
299.14874	67.3
299.20007	3.7
299.23608	4.5
314.45236	2.0
316.81479	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	18.2
53.03932	5.8
55.01878	11.4
55.05512	59.8
57.03439	39.3
57.07082	2.2
59.05004	8.9
61.69473	1.2
65.03930	2.3
67.05507	29.2
67.29111	1.4
69.03427	7.2
69.07052	5.0
71.01340	6.1
71.04980	3.0
73.02922	2.6
74.47645	1.2
79.05493	25.0
81.03408	12.2
81.07057	48.7
83.04996	6.5
83.08154	2.1
83.08620	32.7
85.02917	1.8
85.06526	4.5
87.04456	1.4
91.04911	3.1
91.05482	60.2
93.07043	43.2
95.04446	1.5
95.04971	12.0
95.08624	12.8
97.02893	14.4
97.06540	8.5
97.10144	3.6
98.20702	2.0
99.00819	67.1
99.04445	2.5
99.08029	2.1
101.02363	1.4
103.05461	5.0
105.07035	48.0
107.04957	15.6
107.08602	17.6
109.02882	32.0
109.06538	8.5
109.10150	12.7
111.04414	5.3
111.08087	13.0
113.06018	3.2
115.03919	7.6
117.07020	9.7
119.05003	2.3
119.08588	27.1
121.02885	1.9
121.06496	21.5
121.10103	2.2
123.04449	4.7
123.08065	3.7
123.11715	6.9
127.03926	7.1
128.06203	5.2
131.08546	4.8
133.06506	3.6
133.10132	100.0
135.08109	2.6
135.11690	4.2
136.26135	1.3
137.05977	4.4
137.09625	4.0
139.07533	11.9
141.05463	1.8
143.08571	13.8
145.06471	3.0
145.10129	2.7
146.07274	1.4
147.04520	1.6
147.08031	1.9
151.11177	34.7
153.07001	2.0
161.09621	58.5
163.11183	2.8
165.09152	3.8
166.72075	1.3
171.08047	12.8
171.41461	1.3
179.10670	40.6
189.09126	39.0
189.10754	0.9
197.11752	14.9
207.10129	15.4
225.11218	49.5
243.12317	5.7
299.14893	78.2
299.23804	2.7
299.27097	1.8
300.15210	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	15.3
53.03947	7.4
55.01873	9.8
55.05515	59.9
57.03439	43.4
57.07069	1.6
59.05005	8.4
60.04517	1.5
65.03919	2.4
67.05508	35.6
69.03414	5.1
69.07062	7.4
69.55181	5.2
69.55591	2.8
71.01350	6.5
71.04982	2.1
73.02919	2.0
79.05074	2.1
79.05498	27.8
81.03430	11.9
81.07059	52.8
83.04993	7.3
83.08156	2.3
83.08622	32.5
85.06531	4.1
87.28154	1.2
91.05487	54.4
93.07046	41.9
95.04978	11.7
95.08618	12.4
97.02906	14.9
97.06517	8.8
97.10171	2.9
99.00822	67.6
99.04450	3.9
99.08096	2.3
101.02374	2.4
102.61289	1.4
103.05491	5.7
105.04556	1.5
105.07037	45.0
107.04967	17.0
107.08599	19.2
109.02884	30.9
109.06525	7.5
109.10161	14.1
111.04440	4.9
111.08072	8.8
113.06015	2.9
115.03940	8.7
117.07023	9.2
119.04944	2.5
119.08582	31.1
121.02915	2.0
121.06520	25.0
121.10120	1.9
123.04420	5.5
123.08099	1.8
123.11687	6.8
127.03903	8.0
128.06224	4.6
129.07016	1.3
131.08542	4.6
133.06488	4.2
133.10135	100.0
135.08026	4.6
135.11673	3.8
137.05980	4.8
137.09552	3.3
139.07570	9.3
141.05496	1.2
143.08557	13.2
145.06488	2.4
145.10121	2.7
147.08038	3.5
151.11177	38.1
153.06972	1.9
161.09631	59.5
163.11111	2.3
165.09116	3.8
171.08055	12.9
177.09161	1.3
179.10686	39.4
189.07428	2.1
189.09126	39.4
196.54526	1.4
197.11749	14.3
207.10164	16.3
225.11244	44.6
243.12242	6.2
244.51044	1.4
252.16714	1.2
258.64993	1.2
281.13776	1.4
299.14896	87.4
299.20285	2.5
299.23694	3.2
299.27335	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02071	1.1
53.00089	1.4
53.00311	17.3
53.03943	7.1
55.01875	10.4
55.05514	55.9
57.03442	39.9
57.07063	2.4
59.05008	9.9
65.03926	1.7
67.05508	36.5
69.03414	5.4
69.07071	9.0
71.01350	6.7
71.04969	2.9
71.08613	2.2
71.50290	1.6
73.02923	2.4
79.05081	2.0
79.05499	27.8
81.03428	14.3
81.07057	54.7
83.04974	10.9
83.08156	2.3
83.08620	32.9
85.02913	1.9
85.06525	5.0
91.05481	60.1
93.03392	1.5
93.07045	45.3
95.04967	11.5
95.08601	12.4
95.72733	1.4
97.02889	18.8
97.06530	9.4
97.10149	4.9
99.00819	74.0
99.04491	1.8
99.08081	2.5
99.46811	1.3
101.02383	2.4
103.05457	4.5
105.07031	56.2
107.04958	15.7
107.08588	25.3
109.02885	33.7
109.06505	7.3
109.10177	13.2
111.04439	4.6
111.08074	13.5
113.06030	1.9
115.03941	10.9
115.05515	2.1
117.07004	9.7
119.04917	2.5
119.07794	2.3
119.08590	25.0
121.02876	1.2
121.06506	21.9
121.10135	2.8
123.04402	3.1
123.08032	3.5
123.11718	9.5
127.03912	6.8
128.06209	4.4
129.07021	4.1
131.08524	5.2
133.06485	5.1
133.10135	100.0
135.08052	3.5
135.11690	4.3
137.05988	4.1
137.09581	3.7
137.80757	1.3
139.07530	9.8
139.58563	1.2
143.08551	16.9
145.06429	2.2
145.10120	2.7
147.08055	4.6
147.11641	1.6
151.11180	37.8
153.06979	1.5
161.05963	1.6
161.09622	64.2
162.09978	1.5
163.11246	1.6
165.09111	3.5
171.08049	10.6
179.09126	2.2
179.10677	41.3
189.09106	40.3
197.11734	14.8
200.66595	1.5
207.10185	12.1
225.11224	53.2
243.12242	7.2
255.95621	1.4
271.15469	1.6
281.13657	1.4
299.05679	2.9
299.14890	87.3
299.20129	3.1
299.23773	5.0
299.27338	3.5
323.73816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	16.9
53.03943	7.3
55.01872	11.7
55.05512	62.6
57.03158	2.3
57.03436	37.1
57.07077	2.8
59.05007	8.8
67.05504	34.0
69.03410	3.7
69.07067	8.2
69.19192	15.0
71.01345	6.1
71.04980	2.7
71.08647	1.7
73.02895	2.5
77.03923	1.8
79.05068	2.5
79.05494	24.8
80.64793	1.6
81.03416	14.4
81.06592	2.9
81.07055	50.6
83.04984	9.1
83.08151	3.2
83.08619	35.8
85.06557	4.4
91.05479	66.7
93.06490	2.9
93.07043	44.7
95.04964	10.7
95.08604	13.1
97.02892	14.2
97.06528	7.1
97.10158	2.6
99.00818	75.7
99.01473	3.6
99.04475	2.4
103.05458	5.0
105.07030	51.3
107.04962	14.0
107.08600	19.4
107.47667	1.7
109.02885	36.8
109.06500	7.5
109.10154	15.1
111.04453	5.1
111.08085	10.4
113.05988	3.3
115.03915	7.2
115.05457	2.5
117.07014	10.1
119.04928	3.0
119.08578	31.9
121.06496	24.7
121.10144	1.7
123.04422	6.0
123.08089	4.5
123.11713	7.5
127.03914	8.0
128.06226	5.6
129.06992	2.1
131.08565	3.2
133.06488	5.1
133.10130	100.0
135.08047	4.1
135.11674	3.6
137.05972	5.6
137.09604	4.0
139.07532	11.4
143.08562	14.6
145.06482	3.3
145.10107	3.5
146.07262	2.3
147.08035	4.0
151.07593	2.2
151.11180	37.9
153.07022	2.4
161.09616	59.9
163.11165	2.7
165.09160	4.4
169.10228	1.9
171.08058	13.1
172.22569	1.6
173.13274	2.0
179.10666	38.5
187.42775	1.4
189.09105	35.8
197.11710	15.2
207.10121	15.9
225.11205	44.3
243.12326	5.9
283.08823	1.6
299.05597	5.8
299.14890	82.8
299.20175	5.0
299.23505	2.9
299.27063	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01640	1.3
53.00306	19.5
53.03947	8.3
55.01868	14.7
55.05511	63.2
57.03160	2.0
57.03438	39.9
57.07067	3.9
59.05018	8.0
61.65198	1.5
63.40336	1.4
65.03936	3.8
67.05179	2.5
67.05505	32.7
69.03411	5.9
69.07067	8.2
69.85287	8.8
71.01340	5.7
71.04973	2.4
71.08591	1.7
73.02888	1.8
73.47993	1.7
74.54927	1.6
79.05070	2.1
79.05498	24.3
80.80116	1.8
81.03416	13.7
81.07055	49.7
83.04970	6.9
83.08147	2.6
83.08624	34.5
85.06520	3.7
91.05480	55.2
93.06490	2.8
93.07049	40.6
95.04969	10.3
95.08598	11.7
97.02881	13.6
97.06521	9.1
97.10143	4.9
98.20656	1.7
99.00816	72.8
99.04463	1.8
99.08140	2.3
103.05460	5.1
105.07034	44.6
106.11613	1.5
107.04953	15.9
107.08595	18.8
109.02888	31.6
109.06544	8.3
109.10183	12.8
111.04447	4.1
111.08064	10.8
111.43658	1.6
113.06007	2.7
115.03918	9.3
117.07028	8.3
119.04910	2.2
119.08591	26.8
121.02856	2.2
121.06507	20.2
121.10150	1.7
123.04432	6.1
123.08100	3.2
123.11704	7.1
127.03914	5.7
128.06226	6.0
129.07072	2.5
131.08551	5.7
133.06508	3.6
133.10135	100.0
135.08081	4.4
135.11722	3.8
137.06001	6.0
137.09637	4.1
139.07521	9.8
143.08568	14.8
145.06454	2.4
145.10164	3.0
147.08028	3.0
151.11195	33.5
153.06987	1.7
161.09616	58.2
162.39786	1.6
163.11209	3.1
165.09219	3.5
171.08069	10.1
179.10683	38.0
189.09108	37.1
197.11682	12.7
207.10179	11.7
225.11198	48.9
243.12100	7.8
297.03723	1.8
299.05603	2.6
299.14893	93.9
299.20117	2.8
299.23709	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99578	2.3
53.00308	14.7
53.03933	9.9
55.01867	10.5
55.05514	53.2
57.03436	39.5
57.07081	4.3
59.04990	6.5
65.04642	2.1
67.05503	40.2
69.03450	5.4
69.07064	12.0
69.40501	17.2
71.01336	6.7
79.05495	27.5
81.03410	14.2
81.07058	54.5
83.04987	7.3
83.08622	30.1
85.06523	5.2
91.05483	62.0
93.07045	47.9
95.04963	14.1
95.08603	20.8
97.02889	15.5
97.06516	9.7
97.10183	4.0
99.00815	57.8
99.04436	3.4
101.02392	2.4
103.05450	5.9
105.07027	51.5
107.04970	19.2
107.08592	20.5
109.02890	46.4
109.06533	10.0
109.10159	17.6
111.04433	6.0
111.08102	12.4
115.03925	5.3
117.07011	8.9
119.04939	5.1
119.08595	27.9
121.06496	16.3
121.10175	5.1
123.04445	7.2
123.08076	5.7
123.11666	9.5
125.09710	2.5
127.03912	3.9
128.06192	6.5
129.07002	3.6
131.08582	9.0
133.06448	6.8
133.10136	100.0
135.08051	2.7
135.11656	4.3
136.06219	5.6
137.02312	3.1
137.06009	6.7
137.09634	4.2
139.07536	8.5
143.08559	18.1
145.06500	3.4
145.10139	4.9
147.04434	4.0
147.08046	3.9
151.11198	31.0
159.08076	3.0
161.06013	3.1
161.09627	68.0
165.01842	7.3
171.08037	14.7
171.11766	2.7
173.09624	3.8
179.10686	28.9
185.13197	3.2
189.09094	45.5
197.11737	10.2
207.10144	16.7
225.11230	57.9
243.12247	6.5
267.09253	2.6
281.13666	3.4
299.05615	33.3
299.09268	5.4
299.14944	81.5
299.20013	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	299.054
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.02367	0.1
53.03951	0.1
55.01874	3.7
59.05006	0.3
62.54711	0.1
65.03938	0.2
67.01868	0.2
68.99786	1.8
69.03443	0.5
69.46426	0.3
69.46834	0.1
70.06595	0.1
79.01855	1.0
79.05492	0.1
81.02934	0.1
81.03419	1.2
84.08093	0.1
85.02893	0.1
89.03929	0.2
91.05496	0.2
92.99770	0.5
93.06979	0.1
95.04958	0.1
97.02901	0.8
98.20769	0.1
99.00812	0.9
107.04951	0.1
109.02876	0.4
111.00797	0.1
117.03377	0.2
121.02873	0.1
123.00786	2.7
127.03934	0.1
135.04419	2.8
135.49236	0.1
136.06157	0.1
137.02348	9.5
137.03401	0.6
139.03920	0.1
141.01828	6.9
147.00771	0.1
147.04367	0.1
155.03386	0.2
161.06009	0.1
163.03929	0.4
165.01839	47.8
166.02184	0.2
169.06439	0.1
175.03967	0.1
183.02892	13.0
184.03418	0.1
201.05431	0.1
203.03442	0.4
221.04442	0.1
243.06441	0.1
253.04776	0.1
257.04294	0.1
271.05923	0.5
281.04294	0.1
297.03946	0.1
299.05499	100.0
300.05951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98121	0.9
59.04766	0.9
59.05007	11.8
59.12771	0.8
69.03423	1.0
69.07035	0.9
70.06593	2.8
71.29328	1.7
72.08159	1.2
75.78246	0.9
79.40290	0.8
81.07016	0.9
84.04471	0.8
84.08130	2.4
86.09698	3.5
87.04473	2.3
89.06029	100.0
91.05473	1.4
94.06553	0.9
95.08554	1.1
99.51667	0.7
103.07576	2.2
105.07045	1.3
107.07066	1.4
120.08114	2.3
133.08600	50.4
135.08083	1.0
136.06128	1.5
137.05969	1.1
151.09650	4.7
177.11200	7.0
195.12262	3.1
239.14886	17.0
251.07161	1.1
297.07526	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.22293	0.2
57.62300	0.2
61.01154	5.5
63.86537	0.2
69.03423	0.6
69.78255	0.9
75.02701	2.5
75.06140	0.2
84.08140	0.2
86.09682	0.4
94.04053	0.4
95.87664	0.2
97.02901	1.7
103.02173	0.4
119.03580	1.1
123.12743	0.2
126.43014	0.2
136.06187	100.0
137.04578	0.3
140.04727	0.2
145.03195	1.6
154.39517	0.2
159.37434	0.2
163.04254	1.3
165.64203	0.2
189.04442	0.2
287.22488	0.2
298.09738	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
53.03952	0.9
55.01883	0.4
55.05516	9.6
56.05038	4.8
57.03452	0.9
57.07083	4.6
58.02961	0.7
58.06609	0.7
60.04529	100.0
61.38694	0.3
65.03946	0.7
67.05508	17.3
68.05030	1.9
69.03427	0.8
69.06696	0.6
69.07072	11.5
70.02957	0.4
70.06597	2.3
70.55945	0.9
71.05006	1.0
71.08640	2.6
72.04521	6.0
73.02924	0.9
74.06077	1.8
79.05497	8.2
79.05914	0.6
80.05031	2.4
81.03412	0.7
81.07060	16.6
82.06609	3.0
83.04997	1.0
83.08627	7.5
84.04512	1.1
84.08161	1.1
85.06573	0.5
85.10198	1.5
86.06083	1.5
88.03982	0.4
90.05585	1.8
91.05495	5.5
93.07049	8.1
94.06599	2.0
95.04974	0.8
95.07354	0.5
95.08615	14.0
96.08115	1.7
97.06528	1.8
97.10184	3.3
98.06041	1.4
100.07646	1.4
102.05550	0.4
105.07022	3.7
107.08595	3.7
108.08133	1.1
109.10168	5.2
110.09716	0.8
111.08103	0.7
111.11732	0.8
112.07629	2.1
114.09128	0.5
116.07108	2.7
119.08586	3.1
121.10165	3.5
122.09675	1.2
123.11700	2.0
125.09613	0.4
126.09195	1.1
130.08638	1.2
133.10146	3.3
135.11688	2.0
136.06212	1.6
136.11290	0.4
137.13277	1.0
140.10701	0.5
147.11742	1.0
149.13255	0.6
154.12210	0.5
155.14262	0.4
161.13257	0.5
219.21034	0.8
233.22552	1.0
234.22383	0.5
236.23726	0.6
237.22203	0.6
241.08386	0.4
243.47246	0.4
245.22758	1.1
247.28836	0.4
250.25349	2.8
251.23744	1.1
252.26924	0.7
260.23688	0.5
262.25336	4.1
263.23633	1.3
268.26404	4.3
280.23843	0.4
280.26355	20.6
298.27426	81.1
299.27744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2585
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.03928	4.0
53.08128	1.2
55.01871	2.7
55.05522	13.0
56.05022	3.8
57.07077	9.4
58.02959	7.0
60.04529	34.9
67.05506	37.2
69.07066	15.4
69.44281	2.7
69.44692	7.5
70.02929	2.1
70.06586	1.5
71.04995	12.6
71.08620	4.2
72.04520	39.1
79.05071	2.0
79.05499	24.5
80.06191	1.1
81.03398	2.0
81.06595	2.0
81.07059	35.9
82.06577	2.6
83.04979	3.4
83.08628	8.9
83.19002	1.2
85.02895	1.4
85.10178	2.1
90.05481	1.3
91.05481	13.6
93.06490	2.1
93.07043	29.5
94.06566	2.9
95.04996	2.3
95.08603	28.8
96.08122	2.1
97.02896	1.9
97.06538	7.0
97.10159	4.9
98.06044	1.1
98.20741	1.3
99.04440	4.4
105.07023	8.0
107.08587	15.5
109.10167	11.1
111.08082	6.0
111.11716	2.2
117.06998	6.9
119.08604	7.3
120.08090	2.3
121.06543	1.8
121.10153	26.5
123.08060	2.2
123.11727	6.1
125.09570	1.3
131.08585	10.4
133.06494	7.5
133.10144	4.6
134.06831	8.4
135.08047	2.4
135.11697	15.5
137.09610	1.3
137.13217	4.1
138.09152	1.6
141.91953	1.3
145.10136	5.0
147.11716	1.4
149.09572	3.2
149.13261	3.1
159.11690	2.1
161.13203	1.8
163.14798	2.1
177.16365	2.0
182.19081	1.5
194.10561	1.5
217.19528	1.4
219.21049	8.3
233.22774	2.6
234.22163	1.7
237.22122	10.9
243.21149	6.6
250.25305	7.8
260.23776	5.2
261.22162	5.0
266.25003	1.7
278.24817	24.3
279.22995	2.4
296.25854	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	297.108
Annotation	Aspartyltyrosine
Peak:m/z	Relative Intensity
53.03947	1.0
54.85949	0.9
57.03440	4.2
61.02936	1.8
69.03424	6.0
70.02956	7.9
70.06577	2.6
71.01360	1.1
71.04980	4.0
71.48650	1.3
73.02934	1.1
74.02431	1.6
81.03387	1.4
84.04484	2.0
84.08134	2.7
84.94631	0.8
85.02892	3.5
85.04028	15.1
88.03489	1.6
88.03998	20.5
89.06038	16.5
91.05476	10.8
95.04956	3.8
98.02418	1.9
99.00807	1.0
99.04466	2.5
107.04965	11.7
109.02833	0.9
110.07158	4.9
116.07002	1.2
119.04134	1.2
119.04950	22.8
120.08160	1.1
121.02831	1.6
121.06476	1.6
123.04435	23.2
133.07632	9.7
135.06705	3.7
136.07584	61.1
137.05954	2.8
137.07884	0.9
145.06552	1.6
145.07611	16.4
146.06029	7.5
147.04428	8.8
156.07664	2.3
160.07608	2.6
163.08676	65.5
165.05475	33.8
172.00591	0.9
182.08141	34.5
188.07072	4.1
191.08197	2.6
198.05513	5.5
200.75212	1.0
205.09758	1.2
206.08080	2.7
216.06560	13.8
233.09151	4.3
234.07628	1.5
237.08727	5.8
251.07463	1.5
251.10268	28.6
262.07104	13.3
279.06778	1.2
279.09738	3.9
279.13367	3.4
283.03015	1.2
297.10815	6.5
297.14438	100.0
299.06180	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	296.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97509	0.9
56.05040	1.5
57.02032	0.9
60.04531	1.2
70.02952	2.7
70.06595	2.3
70.87728	2.8
72.04502	4.4
73.02909	3.5
77.60253	0.9
79.05482	4.8
87.00815	4.0
87.04479	7.9
88.03980	1.8
89.02393	52.0
91.05477	13.9
93.07046	1.9
100.04000	2.7
101.04767	6.5
103.05460	16.4
105.07028	12.8
107.04956	4.7
113.02389	4.0
115.05458	1.3
117.05760	3.4
117.07015	15.9
118.06557	8.0
119.07307	2.6
119.08575	1.9
120.08101	16.6
128.06210	3.0
129.07014	12.2
130.06520	1.7
131.03403	43.7
131.04901	8.7
131.07285	3.1
144.08113	3.2
146.09647	73.0
163.60324	1.0
164.10719	34.9
165.11209	0.9
166.08638	2.8
167.66185	0.9
174.09178	5.3
191.21136	1.0
192.10191	100.0
210.11279	7.5
232.09685	1.8
240.83818	1.1
250.10744	36.1
278.10220	2.3
296.11307	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	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
52.71936	0.5
55.01862	0.4
55.05496	1.9
55.05734	0.4
57.07074	7.9
60.04508	1.9
62.28527	0.5
63.50971	0.5
67.05502	4.2
68.05014	1.1
69.03405	0.6
69.07072	2.2
70.06593	11.5
70.09679	1.8
70.10040	0.5
71.04979	0.6
71.08639	8.1
72.04501	1.1
79.05527	2.3
80.05009	0.9
81.07053	6.3
82.06531	0.8
83.08614	1.1
85.10180	5.5
91.05473	1.0
93.07042	1.6
94.06573	1.3
95.08611	6.7
95.34743	0.5
96.04472	0.6
96.08132	11.2
97.06544	0.5
105.08863	0.6
106.06564	5.3
107.08570	0.9
109.10114	0.7
114.05558	0.8
114.09164	3.5
120.08099	1.5
121.10135	1.3
123.11680	0.5
124.07590	3.6
126.23485	0.6
133.10139	0.8
137.13251	0.9
140.07091	0.6
142.08635	35.5
155.14288	1.1
232.20517	2.7
250.21663	28.7
296.22208	100.0
297.22522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01861	0.5
55.05503	1.1
56.05043	0.3
57.03426	0.9
61.02909	0.7
65.03909	0.6
67.05504	0.6
68.99792	0.4
69.03417	0.5
69.07059	1.0
69.80200	1.0
69.80604	0.7
70.02946	1.1
70.06578	1.2
70.06920	0.3
72.08157	0.4
73.02903	0.9
76.98656	0.3
79.05490	4.1
80.05006	0.9
81.03416	1.3
81.05801	4.6
81.07055	2.8
81.50848	0.3
83.04971	0.6
84.04493	0.5
84.08150	1.5
85.02917	2.2
86.09703	1.4
87.04500	0.5
88.03991	3.9
89.52130	0.3
91.05476	2.2
93.07035	0.5
94.06570	4.6
95.04961	1.1
95.08612	0.6
96.04534	0.3
96.08131	16.5
97.02876	1.0
97.76847	0.3
98.97580	0.5
99.00802	0.5
101.23615	0.3
104.03473	1.2
105.07033	0.4
106.06556	3.4
107.04949	0.9
107.08599	0.5
108.08115	0.4
109.02882	0.5
109.06522	0.7
109.10136	0.4
112.07610	3.6
113.07681	0.3
115.03931	0.5
119.04936	4.1
119.08604	0.4
120.04459	1.2
120.08090	2.5
121.02877	2.8
124.07591	100.0
126.09099	0.8
127.03936	0.6
129.10327	0.3
130.76170	0.3
132.04460	0.7
133.04970	0.6
135.04382	0.7
135.07986	0.4
136.07584	1.2
138.09151	0.4
145.02840	1.3
146.06013	9.2
147.04419	2.2
149.02336	2.8
152.07143	0.8
154.08676	2.5
165.07120	0.4
165.80460	0.3
167.03409	1.6
172.09665	3.7
174.03984	1.5
174.05525	3.5
177.01836	5.2
177.05466	0.4
192.06578	0.4
202.03462	1.2
221.05936	0.5
232.13377	0.8
252.10152	0.4
259.14459	3.6
260.12964	1.6
267.06540	4.0
277.08188	0.3
277.15503	3.8
295.06027	45.3
295.09326	1.6
295.16577	3.4
296.06314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56468	0.6
53.03938	0.7
55.01876	2.0
65.03941	1.0
67.05512	2.0
67.68616	0.5
69.03442	1.7
69.07073	1.0
70.51720	1.6
71.05013	0.9
79.05496	5.5
81.07055	2.5
83.04974	0.5
84.08176	0.7
85.02897	1.4
85.06561	1.1
91.05483	7.6
92.31248	0.5
93.07063	1.9
94.04177	0.5
94.06553	0.8
95.04991	1.1
95.08049	0.5
95.08615	2.4
97.02889	1.0
98.21423	0.7
99.08115	0.5
103.05476	38.1
104.06295	0.5
105.04503	0.7
105.07034	21.7
107.04961	7.0
107.08603	1.2
108.05753	1.2
109.06511	1.2
109.10177	0.7
115.05462	4.3
117.07040	4.8
119.04942	2.2
119.08595	1.5
120.05698	1.3
121.02890	0.5
121.06523	14.0
121.10142	0.6
122.03609	0.7
123.04432	4.4
123.08065	3.0
128.06209	0.8
129.07001	1.2
130.06535	1.5
131.04933	41.1
131.08563	0.7
132.05617	0.6
132.08145	1.0
133.06500	66.6
135.04451	4.4
135.08057	31.1
136.05220	1.6
137.05984	18.2
141.07036	0.9
143.04926	1.9
144.05711	1.1
144.08122	1.0
145.06494	20.8
146.05989	3.1
147.04349	0.7
147.08049	7.0
149.02359	0.5
149.05997	3.8
149.09634	0.5
151.07547	21.7
155.06065	2.1
156.08081	1.5
157.06502	5.9
159.08034	0.9
159.09187	2.4
160.05231	1.4
161.05971	1.7
163.07549	100.0
164.07889	0.7
167.07315	0.8
168.08092	4.1
170.07285	0.6
171.08029	2.4
174.05528	0.7
175.07559	5.0
187.07556	2.3
188.08279	0.9
193.06264	0.6
202.07797	1.1
203.08485	0.8
207.07961	0.7
207.11794	0.8
217.10234	0.8
219.08026	1.4
220.08856	3.1
231.08015	0.7
232.11253	1.2
234.09038	0.7
235.07603	0.8
235.11253	5.8
245.09595	3.1
247.07549	0.7
248.08342	1.5
252.07726	0.9
252.10202	12.3
257.47061	0.6
260.10730	0.7
262.08701	0.8
263.10852	9.5
264.10938	0.6
265.08609	1.0
266.11740	5.5
267.10431	0.5
267.13824	0.8
276.10135	0.5
277.21527	0.8
278.08765	1.1
278.11777	22.3
280.10956	0.9
295.06165	5.6
295.10135	1.0
295.13281	23.3
295.22592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
50.07687	0.3
53.03934	0.4
56.05026	1.0
57.03437	6.8
58.06602	15.3
62.43453	0.4
66.03868	0.4
67.09532	0.4
68.68343	0.4
69.03419	0.4
69.07072	0.4
70.06598	0.8
71.49508	0.4
72.08163	0.7
73.02893	0.4
74.02444	8.5
79.05514	0.8
84.04512	3.5
84.08144	1.1
84.54298	0.4
85.02886	0.9
86.09689	1.0
88.03978	1.6
91.05482	1.3
93.07047	1.2
94.06579	1.8
97.02872	0.6
100.77595	0.3
102.05547	5.8
103.05469	5.0
104.03444	0.5
107.04931	1.1
110.06049	0.6
118.40907	0.4
118.67499	0.4
119.04958	0.6
119.98868	0.4
120.08106	100.0
121.08445	0.9
126.52201	0.4
130.05063	1.7
130.06548	2.5
131.04904	2.4
136.07570	2.1
145.45596	0.4
146.06033	5.7
147.04388	0.9
148.04774	1.0
149.05991	1.5
150.07745	14.5
158.09685	1.0
160.11220	1.9
166.08640	31.2
168.57774	0.3
174.04025	0.7
174.05527	1.3
176.07101	0.7
181.05656	0.4
184.10002	0.6
187.12354	0.4
202.03569	0.9
203.11865	2.6
204.10188	0.4
216.12479	0.8
217.13451	0.5
221.05981	0.8
227.11813	1.2
231.11311	1.1
232.09724	1.5
245.12807	2.6
249.12343	20.9
263.13922	1.3
277.11893	1.2
295.05942	3.3
295.12897	7.0
295.16541	4.4
314.85510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.05040	2.0
57.75102	0.3
69.03423	0.5
69.07052	0.8
69.80885	1.8
70.06589	1.7
72.08144	1.8
79.05492	1.3
81.07047	0.4
81.31478	0.3
84.04507	30.4
84.08147	2.6
85.02894	0.8
86.09715	4.3
87.04478	0.4
87.10049	0.6
90.86243	0.3
91.05470	1.2
93.07038	1.2
94.04058	0.9
97.02892	0.7
102.05533	1.4
103.05477	7.9
107.04959	3.2
110.07169	0.4
112.05049	0.5
115.05414	0.4
116.07059	0.4
120.08109	100.0
121.02869	0.5
121.06493	0.5
121.08453	0.8
123.04420	0.6
123.06676	0.9
124.99100	0.4
129.10231	0.7
130.05017	6.3
130.08704	0.4
131.04929	4.6
135.04433	0.4
136.07570	1.1
137.02301	0.4
138.09184	0.6
141.06990	0.5
143.00188	0.5
145.02814	0.8
147.04382	0.7
147.11206	0.4
148.03943	1.0
149.05977	2.6
150.07755	34.6
163.03954	1.7
165.07004	6.7
166.08647	35.8
169.06483	0.6
186.09140	6.9
192.05679	0.4
193.06491	3.4
195.02760	0.5
197.06010	0.7
203.04916	0.5
204.10330	0.4
205.06502	1.0
211.07571	1.0
214.10916	0.4
221.05983	40.9
222.06378	1.0
231.04416	0.6
232.09717	4.9
233.12903	0.3
238.06355	0.4
239.07039	3.3
245.12793	1.1
249.05478	22.1
249.12396	0.5
250.06131	1.2
263.13922	0.7
267.06497	2.8
271.05978	1.6
277.04965	6.7
277.11691	0.6
277.14981	0.4
278.10248	4.1
278.13239	0.6
281.04349	0.3
295.06015	49.8
295.12817	4.6
295.16589	3.0
296.06216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72319	0.2
57.07073	1.3
67.05510	0.4
67.17535	0.2
71.08626	1.1
79.05491	0.7
81.07054	1.0
91.05456	0.8
94.04190	2.1
95.08607	0.3
107.04993	0.3
109.06515	0.6
109.62291	0.2
122.03650	7.6
126.39523	0.2
127.16824	0.3
132.27177	0.2
137.05978	100.0
138.06310	0.4
141.12749	2.1
143.09135	0.2
158.15414	1.3
170.15298	0.3
186.98787	0.3
191.84343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
55.05512	0.5
56.05039	0.8
57.03440	0.5
57.04554	0.5
57.30721	0.3
63.80975	0.3
69.03437	0.9
69.07077	0.9
70.06593	3.7
71.03777	0.7
72.08154	2.9
73.02921	0.9
76.19768	0.3
79.05498	1.5
81.03412	0.5
83.06089	0.3
84.04502	7.1
84.08153	3.5
85.02890	1.6
85.08464	0.4
86.09711	4.0
87.10025	0.7
88.03968	0.4
89.03972	0.3
90.04333	0.3
91.05463	0.5
93.07075	0.4
94.04070	2.8
94.06562	0.6
95.08599	0.4
96.04488	0.4
96.05577	0.4
97.02876	0.9
97.06547	0.3
98.97591	0.4
102.05528	0.7
103.05459	0.6
106.06546	0.8
107.04961	5.2
109.02865	0.7
110.06061	0.3
115.01535	0.3
115.03926	0.4
116.07101	0.7
118.06538	0.4
119.04924	0.9
120.08095	4.1
121.02903	0.3
121.05099	0.5
123.04426	1.9
123.06676	1.9
123.07957	0.4
124.07580	0.6
124.99185	0.4
125.02379	0.4
126.97253	0.3
127.03938	0.5
129.10258	1.3
130.05003	2.7
130.08655	0.4
131.04921	1.1
133.05072	1.1
135.04384	0.8
135.05354	0.6
136.07603	0.7
137.05907	0.4
138.09129	1.2
143.00174	0.5
145.02899	0.7
146.06007	0.4
147.04401	0.8
147.11378	0.4
148.03934	0.5
148.06094	0.3
148.11305	0.3
149.06003	2.3
150.07753	100.0
151.08041	0.5
154.08672	0.4
161.06004	0.5
163.03909	4.2
165.06989	1.3
166.08675	2.3
174.11536	1.3
175.12315	1.3
177.01775	0.6
186.09125	0.5
189.13925	0.6
191.11902	0.3
193.06483	0.6
195.02911	0.9
204.10291	0.4
207.06483	0.4
217.13380	1.4
221.05994	7.9
232.09727	0.6
232.11893	0.4
233.12856	0.3
239.06947	0.8
245.12856	1.5
249.02829	0.8
249.05370	4.3
263.13943	1.2
267.03940	0.8
267.06537	0.7
277.04941	1.3
277.15399	0.7
285.07349	0.4
295.06000	13.8
295.11700	1.8
295.16464	6.3
307.70541	0.4
315.23987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01870	0.3
57.07074	0.7
66.04729	0.3
67.05499	0.6
70.78832	0.7
71.08656	0.3
79.05485	0.8
81.07052	1.9
88.07612	0.3
91.05482	0.7
94.04189	2.2
106.54414	0.2
107.04920	0.3
109.06532	0.5
122.03648	7.0
123.11720	1.9
137.05977	100.0
138.06322	0.6
153.05394	0.2
158.15424	1.3
170.15413	2.1
210.12073	0.5
238.11522	0.6
270.02280	0.2
276.20090	0.2
290.99945	0.2
294.20770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1699
Annotation	Sieboldine A
Peak:m/z	Relative Intensity
53.03939	2.5
55.05500	6.3
57.03429	10.0
59.36800	2.1
67.05495	4.8
70.06577	2.3
71.49966	3.8
78.15340	2.3
79.05470	3.2
81.03409	3.0
81.07068	5.5
91.05489	5.9
93.07045	8.3
94.06548	5.4
95.08599	3.2
102.09531	2.1
105.07028	2.2
106.06538	3.9
107.07322	3.1
107.08578	3.5
118.06564	5.0
118.07394	2.5
119.07330	2.6
119.08560	2.7
120.08106	10.0
131.07349	2.6
131.08546	2.1
132.08075	6.6
133.10219	3.1
134.06020	3.7
134.09651	18.5
135.10428	2.7
138.09154	4.3
144.08052	4.1
146.09637	7.8
148.11243	13.3
150.09146	9.9
152.07050	4.3
158.09631	4.3
159.10460	4.4
160.11317	3.2
162.09146	3.7
164.07031	3.0
172.11165	2.9
173.12059	2.9
174.12811	9.1
176.10741	10.0
176.14406	3.1
178.12204	4.4
180.10126	4.1
188.14322	5.4
192.13857	9.6
194.11823	12.7
202.12332	2.2
204.13811	14.1
206.11723	4.7
208.09702	8.6
220.13383	4.9
222.11244	24.7
230.15506	5.8
232.13310	7.1
238.14421	6.4
240.09970	2.1
248.16441	30.3
250.14453	15.4
250.18068	6.1
252.12283	6.8
258.14966	2.8
276.15927	11.0
294.17026	100.0
294.20615	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	294.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05510	0.3
56.05017	0.4
57.03432	0.3
65.03936	0.8
69.03432	0.5
69.07063	0.9
70.06580	0.8
71.50195	0.4
71.50558	0.3
72.08149	1.8
73.02918	0.6
80.21799	0.3
83.96140	0.3
84.04510	1.8
84.08142	2.5
85.02896	0.9
86.09703	3.7
91.05482	11.6
97.02892	0.3
104.05315	0.5
108.08057	0.3
110.06013	0.3
112.07577	0.3
112.83923	0.3
113.32856	0.3
115.03911	0.3
118.06514	0.3
119.04945	27.3
120.08070	0.9
121.06560	0.3
123.04409	0.4
128.07083	0.3
129.10233	0.7
130.04976	1.9
130.06450	0.4
130.08598	0.8
136.07587	0.9
139.03868	0.4
140.07036	0.4
144.06529	0.4
146.06013	1.3
147.04410	100.0
147.11235	0.6
148.04741	0.9
148.07591	0.4
163.03940	0.6
188.06931	0.3
192.06509	0.3
204.06560	0.4
294.05124	0.3
294.09894	0.4
294.14993	0.5
294.17612	0.4
295.06024	0.6
303.38055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05514	22.7
57.03455	1.2
57.07077	13.2
57.73820	0.8
65.03944	1.0
65.39724	0.6
67.05506	45.5
69.03448	1.4
69.07068	41.2
69.97459	3.3
70.06596	0.8
71.04986	2.4
71.08629	5.9
71.95293	0.8
73.06543	0.9
79.05499	15.6
79.31464	0.7
81.03459	0.8
81.07056	100.0
83.04982	2.5
83.08150	1.5
83.08620	20.8
83.09122	1.1
85.06544	9.6
85.10195	2.6
88.77174	0.7
91.05470	5.1
93.07047	23.2
93.80022	0.7
95.04966	2.5
95.08608	75.8
97.06526	3.2
97.10172	15.1
97.76367	0.7
98.21436	1.0
98.97600	2.9
99.08092	6.7
103.05455	0.9
105.07029	4.0
107.04955	1.4
107.08585	18.1
109.06522	2.1
109.10156	47.7
111.08099	3.0
111.11716	5.6
113.09640	1.3
116.98637	1.1
119.08591	2.0
121.06512	0.8
121.10145	13.2
123.04537	1.1
123.08045	1.1
123.11710	35.6
125.09641	2.1
125.13271	1.2
129.07010	0.7
131.08617	1.0
133.10155	1.5
134.99577	1.0
135.08118	0.9
135.11707	11.6
137.05884	0.8
137.13257	8.7
139.03993	0.9
139.11206	1.4
145.10091	1.7
147.11707	1.2
149.02325	2.0
149.09622	1.0
149.13264	12.3
151.14859	6.0
153.12721	4.9
159.11671	1.3
163.11238	0.9
163.14822	6.8
165.16409	3.1
173.13266	0.8
177.16393	3.2
179.17941	1.8
191.17955	2.2
193.19603	1.1
201.09378	0.7
201.12863	0.8
205.19583	1.8
209.18965	1.3
219.21051	2.0
233.15352	2.2
250.06264	0.9
257.18994	1.0
269.05478	0.9
275.20041	2.0
275.27359	6.9
293.08136	1.6
293.11530	1.3
293.21301	1.2
293.28351	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03940	1.1
53.39748	0.4
54.18301	0.4
55.01883	0.7
55.05509	21.7
56.96564	0.6
57.03415	0.6
57.07075	11.0
65.03938	1.9
67.05504	47.1
69.03432	0.5
69.07066	33.4
71.04984	0.9
71.08630	4.4
73.06554	2.0
79.05491	15.4
81.03400	0.9
81.07054	100.0
83.04976	2.2
83.08615	20.5
85.06541	6.9
85.10184	2.0
91.05486	4.5
93.07040	20.6
95.04955	1.5
95.08604	70.9
97.06537	2.4
97.10164	13.2
98.97572	1.2
99.08077	3.1
105.07023	2.9
107.04939	0.6
107.08589	16.4
107.09309	0.8
109.06509	1.1
109.10151	53.6
111.08065	1.6
111.11710	6.9
113.09727	0.9
117.07003	0.9
119.08578	1.6
121.06505	0.8
121.10141	10.3
123.08042	0.6
123.11703	40.7
125.09578	0.8
125.13248	1.7
129.44482	0.5
131.08592	1.3
131.74541	0.6
133.10123	1.7
135.11684	13.0
137.09619	0.6
137.13252	8.4
139.11185	1.4
145.10135	1.3
147.11697	0.7
149.02365	0.8
149.09627	0.9
149.13251	11.8
151.14798	4.1
153.12770	6.3
163.11131	0.7
163.14812	5.3
165.16371	2.3
173.09518	0.6
177.16370	3.8
179.17926	2.0
184.26170	0.5
191.17921	2.7
193.19568	0.8
205.06422	0.6
205.19559	1.6
209.18974	1.7
219.21074	2.5
223.20673	0.6
257.18851	0.8
269.05176	0.6
275.20184	3.1
275.27267	5.8
289.35016	0.5
293.07974	1.2
293.21240	1.9
293.28360	27.3
294.08908	0.5
311.06647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.45514	4.3
51.95824	4.5
52.79295	4.3
53.03954	24.3
55.01871	22.3
55.05520	27.7
57.07082	10.6
57.51822	4.4
67.05508	83.8
69.07062	44.2
70.55899	6.4
70.56242	8.5
71.05010	5.4
71.14209	4.8
79.05501	70.9
81.03423	43.2
81.07057	98.9
83.04966	14.8
83.08601	13.5
85.06524	6.4
86.46835	4.6
91.04923	5.3
91.05478	70.3
93.07055	60.0
95.01318	6.3
95.04993	30.2
95.08604	61.9
97.06537	31.5
100.61227	5.1
104.59985	4.3
105.07031	75.0
107.04979	37.2
107.08609	29.6
109.06512	12.9
109.10158	18.9
111.08135	5.1
117.07022	19.3
119.08583	60.9
121.06536	9.3
121.10129	18.0
123.04403	5.9
123.08073	16.9
123.11740	6.0
131.08548	26.0
133.10132	61.3
135.08112	10.6
135.11681	18.2
137.09653	9.6
143.08530	5.2
145.10136	25.7
147.11711	24.1
149.09612	15.5
149.13239	9.6
151.11174	10.4
157.10027	5.1
159.11699	19.4
161.13228	6.9
163.11082	7.4
165.09131	15.5
169.10130	5.3
173.13284	6.5
177.12721	7.8
179.14326	13.6
183.11674	5.8
187.11256	6.8
229.19543	7.4
237.11252	11.1
247.20615	9.8
257.18988	12.9
275.20096	100.0
282.52866	4.5
293.21216	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	8.1
55.01858	17.9
55.05509	37.7
55.96406	3.8
57.03427	14.8
57.07080	28.2
65.03932	6.6
67.05508	65.3
69.07066	34.1
71.04997	8.1
72.76639	4.1
79.05489	47.9
81.03413	12.6
81.06593	5.4
81.07056	72.6
83.04976	22.1
83.08599	14.4
85.06538	11.5
91.05489	43.4
93.07045	46.8
95.04996	23.4
95.08607	62.5
97.02892	5.7
97.06528	16.1
97.10177	6.8
98.97589	3.8
99.04462	7.2
105.07022	30.9
107.04929	12.2
107.08591	38.7
109.06519	24.5
109.10152	38.6
111.04423	32.2
111.08086	8.2
116.98598	5.6
117.07007	15.0
119.08572	25.7
121.06514	8.5
121.10143	17.4
123.08069	15.2
123.11697	5.7
125.05995	4.4
125.09598	5.6
131.08571	19.2
133.10149	28.4
135.08047	7.3
135.11688	12.1
137.09625	22.1
139.03876	6.4
145.10132	16.3
147.11710	10.1
149.09615	17.1
149.13297	8.5
151.11179	9.9
153.05478	9.1
153.12744	6.6
159.11674	11.3
163.03804	4.6
163.11186	12.3
165.09056	4.4
165.12785	4.4
167.10681	6.1
171.11725	5.1
173.13257	7.6
181.04980	6.9
191.10663	5.0
201.16289	4.4
209.11734	18.8
219.17438	79.8
237.11226	43.4
244.09412	4.7
247.20522	14.1
257.18988	12.0
265.21719	6.3
275.20084	57.4
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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	2.0
55.01869	4.4
55.05513	16.1
57.03430	1.8
57.07069	2.8
59.05474	1.3
65.03931	1.7
67.05505	26.9
69.07072	25.1
69.14546	10.1
69.14954	3.1
71.05006	2.7
79.05491	17.4
80.57407	1.2
80.88272	1.2
81.06588	2.3
81.07062	32.3
83.04994	8.5
83.08605	6.4
85.06516	1.3
91.05488	18.0
93.07051	22.6
95.04968	7.0
95.08612	22.4
97.06533	4.8
105.07037	23.2
107.04955	5.6
107.08608	15.0
109.06513	9.3
109.10160	10.6
111.08096	2.2
117.07028	7.2
119.08595	14.2
121.06532	9.9
121.10130	8.9
123.08076	5.2
123.11696	3.5
125.09691	2.2
129.07021	2.0
130.52516	1.3
131.08580	15.3
133.06458	3.2
133.10129	17.8
135.08063	4.2
135.11743	3.6
137.09624	2.6
145.10129	11.4
147.08026	3.0
147.11703	10.5
149.09650	4.6
149.13283	3.9
151.11247	6.6
155.08553	2.0
157.10132	2.0
159.11720	4.1
161.09677	2.6
161.13283	1.9
163.11227	4.4
164.25464	1.2
164.26807	1.2
171.11685	2.8
173.09662	2.6
173.13319	5.9
175.11252	2.2
175.14761	2.5
177.12750	2.1
183.11673	2.2
187.11270	1.8
191.14290	3.2
197.13376	1.5
201.12697	2.9
207.13863	3.5
213.16479	1.5
215.18030	2.5
219.13849	3.7
225.88065	1.3
229.19389	1.8
239.18011	3.4
247.20602	4.6
257.19009	16.3
275.20074	100.0
280.75745	1.4
293.21075	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	7.9
55.01868	8.8
55.05517	24.3
56.96557	3.1
57.03440	5.2
57.07071	8.4
60.40078	2.8
67.05509	45.6
67.29272	3.1
69.03432	4.1
69.07066	27.2
69.89932	2.3
71.04971	6.1
71.49613	3.5
79.05497	34.2
81.03397	8.3
81.06593	4.9
81.07063	100.0
82.43968	2.2
83.04980	8.0
83.08629	11.8
85.06552	4.6
91.04983	3.3
91.05490	36.0
93.07049	26.0
95.04972	24.7
95.08617	31.4
96.10804	2.4
97.06527	7.3
97.10200	3.6
98.97588	6.1
105.07029	31.9
107.04934	8.6
107.08595	21.7
109.06517	26.1
109.10165	19.7
111.08085	6.5
116.98622	3.2
117.07013	8.9
119.08591	33.9
121.06502	6.3
121.10145	19.8
123.08067	18.3
123.11706	7.1
129.06973	3.6
131.08559	15.5
133.10162	21.8
135.08044	8.3
135.11697	8.2
137.05969	12.2
137.09612	8.6
139.03926	4.3
141.08961	2.4
143.08572	4.6
145.10139	10.6
147.11661	22.0
149.09616	13.7
149.13269	2.9
151.11189	5.9
153.05542	4.0
157.10211	3.7
159.11736	12.1
161.09703	3.3
161.13202	3.7
163.11169	9.3
165.12802	2.7
171.11916	2.7
173.09610	3.9
173.13300	6.5
175.11172	3.5
177.12708	2.9
181.04890	3.7
183.11685	3.4
187.14886	2.6
189.11006	2.6
191.10715	6.2
197.13283	3.3
201.12723	3.1
209.11720	9.1
223.72682	2.9
233.44992	2.3
237.11218	10.0
237.14879	2.9
247.20578	3.7
257.18994	8.4
269.05399	3.1
275.16779	4.9
275.20056	56.0
293.05518	3.1
293.17929	5.4
293.21085	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	3.3
55.01866	8.5
55.05506	16.4
56.96551	2.5
57.03438	4.4
57.07067	11.1
60.40654	2.1
63.12859	2.1
67.05508	55.6
69.03425	2.7
69.07072	35.9
69.94147	7.8
71.04982	5.1
72.19660	1.9
79.05072	3.6
79.05494	40.3
81.03410	6.7
81.07059	100.0
83.04951	5.8
83.08624	8.8
85.06525	3.9
91.05482	34.5
93.07043	34.0
95.04980	21.8
95.08608	31.2
97.06532	6.8
97.10164	3.9
98.20787	2.3
98.97592	4.8
103.05509	3.3
105.07044	35.6
107.04958	11.7
107.08595	24.8
109.06507	24.8
109.10142	24.6
111.04424	3.0
111.08103	5.6
116.98627	2.5
117.07030	7.9
119.08578	37.6
121.06477	5.2
121.10147	13.8
123.08066	10.6
123.11709	5.8
125.05981	2.6
125.09659	3.3
126.99522	2.2
129.01048	2.2
129.07002	2.5
131.08562	12.1
133.06410	2.2
133.10129	26.1
135.08047	6.9
135.11684	5.4
137.09610	10.2
141.01059	4.0
143.08546	3.9
145.10144	9.7
147.08107	3.2
147.11705	13.6
149.09627	7.7
149.13191	2.7
151.11154	12.0
155.08597	2.9
157.10107	4.1
159.08047	2.8
159.11681	6.6
161.09621	2.4
161.13301	2.9
163.11198	7.7
163.14774	2.0
165.09138	2.2
165.12782	3.0
173.13223	4.3
181.12224	2.4
191.10677	4.0
194.93965	2.5
197.07294	8.6
209.11693	3.0
229.29250	2.2
237.11159	5.1
239.17809	2.6
245.77913	2.2
247.20622	8.9
257.18964	8.4
269.05383	3.9
275.20041	55.3
275.22827	4.0
276.07001	2.2
293.21082	40.4
294.10004	2.6
308.55099	2.3
311.06567	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	7.4
55.01871	14.9
55.05511	34.8
57.03435	2.4
57.07060	5.7
60.32959	1.6
65.03933	3.5
67.05503	58.4
69.03416	4.3
69.07070	33.8
70.06567	3.6
71.04971	7.0
71.08622	2.2
71.49710	2.1
71.50115	2.7
79.05492	49.1
81.03439	8.5
81.07056	100.0
83.04968	6.7
83.08611	18.8
84.08141	1.9
85.06535	6.6
91.05473	38.2
93.06489	3.0
93.07047	50.1
95.04979	18.5
95.08611	57.9
97.06529	15.8
97.10162	14.7
98.97567	5.5
99.08090	3.4
103.05463	2.3
105.07028	44.4
107.04971	13.9
107.08591	41.0
109.06518	19.6
109.10158	28.5
111.08067	7.4
111.11738	1.9
113.41795	1.6
115.05444	1.9
117.07016	11.8
118.93300	1.7
119.08591	28.7
119.45947	1.6
121.06521	8.2
121.10136	23.9
123.08070	8.4
123.11714	13.4
125.09650	10.8
129.07011	4.7
130.07732	2.2
131.08583	17.4
133.06520	3.9
133.10127	26.9
135.08043	10.5
135.11697	13.8
137.09599	8.3
137.13239	5.3
139.11208	2.3
140.04233	1.9
141.04311	2.3
143.27556	1.8
145.06415	2.1
145.10143	15.3
147.08022	2.3
147.11674	21.8
149.02374	2.2
149.09618	20.9
149.13257	7.7
151.11209	9.5
155.08559	3.0
157.10118	4.9
159.11690	11.5
161.09612	1.9
161.13245	7.1
163.11180	13.3
163.14769	2.7
165.09048	6.8
165.12627	2.2
167.10703	1.8
167.43187	1.6
169.10124	4.4
169.69548	1.5
171.11671	5.6
173.09622	2.5
173.13234	6.6
175.11200	4.4
177.12709	4.4
187.11209	2.9
187.14893	3.1
189.11171	2.8
189.12735	2.0
191.14297	2.1
197.13295	2.8
199.14752	1.7
213.16331	2.5
215.14384	3.0
215.18028	2.6
219.13846	2.3
229.19460	6.1
239.17973	4.9
247.20691	8.6
257.19016	14.7
269.05438	3.4
275.20053	96.2
293.08365	2.8
293.17831	2.7
293.21130	37.8
293.24683	2.9
293.28180	6.1
311.06674	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	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03939	1.2
55.05511	22.4
57.07054	0.8
65.03935	1.6
67.05497	3.6
69.07048	1.6
71.04986	0.5
71.49700	0.6
73.06554	9.5
78.84028	0.4
79.05500	0.9
81.07059	3.9
83.04971	0.9
83.08608	0.6
84.04479	0.6
84.08149	0.6
85.02823	0.6
85.06511	1.1
86.09697	1.3
91.05478	4.0
93.03378	0.6
93.07042	3.0
95.04975	0.6
95.08606	3.6
97.02878	0.5
97.10159	0.6
98.97606	0.7
99.04471	0.5
99.08081	0.6
105.07015	1.3
107.04994	0.6
107.08618	2.4
109.02800	0.4
109.06497	0.6
109.10170	3.1
111.04472	0.4
111.11724	0.5
117.07028	0.4
119.08569	1.6
120.08109	0.6
121.02859	6.0
121.03927	1.0
121.10117	1.4
125.09667	0.5
129.07016	3.4
131.08606	2.8
133.10130	0.8
135.08081	0.5
135.11678	0.8
137.09601	1.3
139.03914	0.5
143.04909	1.7
145.06532	0.4
147.08122	0.5
147.11693	1.0
149.02342	100.0
149.09612	0.7
149.13171	0.5
150.02652	0.6
150.05501	0.5
151.11218	0.6
152.13329	0.4
157.06474	1.1
159.11678	0.7
161.05991	5.9
161.58014	0.4
167.03403	0.5
175.07544	20.1
177.16609	0.4
185.05977	1.0
203.07033	22.8
221.08160	1.2
275.12756	3.1
275.23767	1.0
293.08127	1.0
293.13037	4.0
293.22018	1.5
293.24796	1.4
311.06693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46602	3.8
55.01871	5.7
61.02922	31.2
69.03404	4.1
69.47271	13.5
69.47693	15.0
70.06560	5.5
72.08161	3.9
73.02894	5.3
79.05515	4.3
81.03380	4.8
81.07048	16.4
85.02893	4.5
91.03951	16.0
93.07043	8.1
98.20791	9.0
102.78151	4.1
105.07053	4.8
109.06505	12.0
111.07388	5.8
111.08087	82.1
119.03374	6.1
123.04431	16.6
123.08050	4.9
124.04717	10.4
137.05975	12.7
139.03914	24.4
140.04239	19.0
151.07655	4.8
155.07001	4.7
165.09085	9.3
195.10092	5.1
211.09639	58.7
229.10716	35.6
239.09111	15.2
257.10205	100.0
259.77524	4.7
292.09433	4.6
292.19098	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	292.1544
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.01865	0.6
55.05492	1.6
63.58662	0.3
67.05505	2.2
69.07075	2.2
70.06574	1.4
70.07410	0.5
71.50018	0.8
72.08118	0.5
79.05484	2.7
79.74423	0.4
80.05830	0.6
81.03426	0.5
81.07059	4.7
82.07381	1.3
83.08619	0.9
84.08147	0.9
85.02924	0.4
85.06516	0.8
86.09698	1.0
91.05473	1.3
92.05798	0.6
93.07057	2.4
94.07384	0.9
95.08600	4.3
96.08946	2.4
97.10174	0.4
99.00806	0.7
105.07005	1.1
106.07399	0.5
107.08582	1.6
108.08932	0.7
109.10188	3.0
110.10465	1.2
111.08068	0.6
113.61409	0.4
117.05714	0.5
118.06544	6.1
119.04965	0.7
119.08575	0.6
120.08085	1.0
120.08865	0.5
121.10155	1.4
122.10486	0.9
123.04430	5.1
123.11724	0.8
124.04751	3.9
124.12042	0.8
130.06520	0.8
131.07275	0.4
132.08081	3.2
133.08861	0.7
134.09595	0.7
135.04372	0.5
135.11691	1.3
136.11990	1.0
137.05940	1.2
139.03897	6.2
140.04231	5.6
144.08083	1.9
146.09644	2.1
147.04390	1.2
147.11659	0.5
148.04739	1.7
149.13335	0.5
150.13588	0.7
158.09630	0.9
160.11217	0.8
161.05977	0.7
162.06366	0.5
163.14726	0.5
165.05490	0.5
166.05846	0.6
172.11162	0.7
175.08662	4.9
176.14330	13.3
177.14735	0.9
178.16745	0.5
188.07016	2.4
190.08627	8.1
202.08669	1.1
202.15897	12.4
203.16336	0.5
204.10204	3.4
205.10936	0.6
208.06859	0.8
216.10257	0.8
218.11700	2.7
233.14078	0.5
234.07634	4.2
246.14865	12.8
248.09154	3.0
248.16400	5.4
249.10007	0.9
250.10805	0.4
262.10773	2.1
274.14249	2.1
274.26318	0.6
275.14774	0.5
292.15408	100.0
292.27167	4.3
293.12854	4.2
293.15897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03935	1.1
55.01871	2.6
55.05511	8.0
56.73433	0.3
57.03421	0.4
57.09694	0.3
59.04965	0.4
65.03936	0.9
65.74162	0.3
66.74403	0.3
67.05506	4.5
68.99802	0.4
69.03412	1.3
69.07079	2.9
70.75151	0.7
71.04968	1.0
71.67866	0.3
74.59628	0.3
77.03970	0.3
79.05027	0.4
79.05487	7.4
81.03417	1.2
81.07053	7.0
83.04976	1.5
83.08620	3.2
85.28819	0.3
88.99424	0.3
91.05486	7.4
92.06249	0.4
93.03334	0.4
93.07041	6.2
94.04189	0.6
95.04974	3.2
95.08614	2.6
97.06529	0.6
97.10163	4.0
103.05490	0.4
105.04545	0.4
105.07029	7.7
107.04961	3.0
107.08584	3.5
109.06524	0.9
109.10138	1.1
111.04400	0.4
115.05434	0.7
116.06232	0.5
117.07008	3.3
119.04935	2.3
119.08580	5.6
120.05721	0.6
121.06516	1.5
121.10150	1.1
123.04422	5.4
123.08067	1.1
123.11593	0.3
123.42725	0.3
125.09624	2.3
129.07002	1.8
130.07799	0.9
131.08571	2.7
133.06487	4.2
133.10129	0.8
134.07233	0.7
135.08046	1.5
135.11717	0.6
137.28078	0.4
139.03900	8.4
141.06877	0.3
143.08536	1.5
145.10126	3.3
147.04445	1.8
147.08064	3.6
147.11685	0.3
149.09607	1.3
157.10101	1.0
159.08006	0.4
159.11668	0.8
161.05980	0.9
161.09583	1.2
162.10384	1.6
163.11147	1.3
165.05478	1.0
165.09164	0.3
171.11671	0.3
173.13222	0.4
175.11206	1.1
179.06976	0.4
187.11168	0.4
189.11275	0.7
199.11339	0.3
207.06599	0.4
223.13365	1.0
245.18857	0.3
249.14789	2.0
249.18733	0.4
261.14865	0.5
262.15744	0.3
270.66708	0.3
273.18472	3.6
291.19531	100.0
292.19873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03952	1.0
55.01872	1.0
55.05511	3.2
57.07065	2.4
59.04987	2.4
65.03930	1.1
67.05519	3.8
69.03431	1.6
69.07076	1.2
69.47845	4.0
71.04990	1.0
76.91267	0.7
79.05479	2.5
80.64307	0.6
81.07050	6.2
83.04971	1.6
83.08601	1.8
85.06548	1.0
91.05466	4.2
93.07045	10.5
95.04964	3.4
95.08612	9.9
97.06503	1.0
98.20861	1.0
105.07030	7.3
107.04951	1.1
107.08592	3.5
107.27551	0.6
108.05720	1.3
109.06498	3.3
109.10149	1.5
111.08085	39.8
117.07008	1.4
119.04951	1.2
119.08590	4.8
121.06485	2.2
121.10139	4.2
122.07303	1.9
123.04443	7.2
123.08065	31.8
123.11699	1.0
129.07028	1.1
131.08575	3.5
133.06474	2.5
133.10135	4.9
135.08076	3.9
135.11693	3.0
137.09622	1.8
139.03899	11.7
141.05515	0.9
143.08577	2.1
145.10141	3.2
147.04433	2.7
147.08046	1.7
147.11684	2.9
149.09607	3.0
151.07542	100.0
156.09383	1.0
157.10127	2.3
159.08072	1.2
159.11685	1.4
161.06010	1.2
161.09612	3.1
161.13280	1.8
163.11169	3.6
165.05470	1.9
165.09077	0.8
171.11684	2.9
173.09544	0.8
173.13226	1.3
174.10419	1.7
175.11188	2.0
177.09113	2.9
179.10666	4.4
181.12230	1.8
189.12740	25.1
191.10635	1.5
192.11502	3.5
197.11732	15.1
197.13452	1.0
199.11273	0.8
200.13243	0.7
205.12169	0.8
205.30531	0.6
207.13805	66.1
211.14764	0.7
213.16406	1.6
215.14412	1.5
217.12209	3.9
235.13377	1.8
255.17450	1.8
261.49698	0.7
273.18649	3.5
291.08844	1.0
291.19553	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	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.90543	0.8
53.03941	1.2
54.89459	0.9
55.01863	1.7
55.05495	4.5
57.07063	4.4
59.04997	2.5
67.05494	3.8
69.03410	2.4
69.07061	2.4
70.06586	4.2
70.64684	3.3
71.04974	1.9
71.06919	1.3
79.05486	5.3
81.07053	7.8
81.24615	0.9
83.04964	1.9
83.08610	3.5
84.51902	1.0
85.02876	0.9
85.06535	1.6
88.07622	4.3
89.07371	1.0
89.07896	1.1
91.05473	3.9
91.80900	0.9
93.07045	9.1
95.04962	5.5
95.08612	15.6
97.06521	3.8
97.86561	0.9
102.09170	2.8
103.09505	1.7
105.07031	10.1
107.04961	6.1
107.08585	6.6
109.06522	5.9
109.10137	2.7
111.08079	24.5
115.05434	1.5
117.07009	2.7
119.04932	2.6
119.08564	8.9
121.06560	2.1
121.10151	6.6
122.07236	1.5
123.04419	14.3
123.07211	2.2
123.08073	35.2
123.11691	1.1
125.09618	1.6
128.42111	1.1
129.07010	2.0
131.08546	4.4
133.06479	3.2
133.10139	6.6
135.08035	5.9
135.11676	3.9
137.09612	4.5
139.03909	18.3
141.05537	1.5
142.07750	1.4
143.08598	2.2
145.10112	12.4
147.04472	4.7
147.08051	3.2
147.11710	4.9
149.09630	4.2
151.07541	100.0
153.09196	1.6
155.10654	2.2
157.10120	4.3
159.08046	1.2
159.11700	4.8
161.05962	2.7
161.09595	4.0
161.13264	2.5
163.11166	2.7
165.05466	2.7
171.11710	4.0
173.09615	1.6
173.11975	1.0
173.13206	4.9
174.10428	2.3
175.11203	4.3
177.09068	1.4
177.12686	1.3
179.10690	5.5
187.11226	3.2
187.14890	1.8
189.12733	27.0
191.14330	5.1
192.11441	4.3
197.11708	14.8
197.13269	1.7
203.14319	2.2
207.06506	2.3
207.13805	69.3
213.16360	2.4
215.14276	4.2
217.12260	1.8
229.23608	11.1
231.17419	1.9
233.15372	12.1
235.13342	2.0
255.17393	3.5
271.14084	1.1
273.18579	7.4
291.08591	1.5
291.19553	43.1
291.27176	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	3.9
55.01871	4.7
55.05507	19.3
57.07063	5.8
59.04986	1.4
60.13579	1.0
60.61264	1.0
65.00384	1.2
65.03943	3.6
67.05504	19.4
68.99796	1.8
69.03420	6.9
69.07066	29.0
70.44243	4.5
71.04996	3.8
71.08633	2.1
76.87749	1.4
79.05496	21.9
81.03406	4.2
81.07054	47.4
83.04989	4.9
83.08620	13.4
85.02880	1.2
85.06533	2.0
85.10183	1.7
91.05480	18.1
93.03410	1.4
93.07043	38.1
94.25990	1.3
95.04982	7.5
95.08607	32.5
97.06522	5.2
97.10165	7.3
98.98460	1.7
99.04480	1.5
99.08095	1.6
105.07031	23.3
107.04953	3.9
107.08585	28.6
109.02868	1.8
109.06516	20.3
109.10154	20.9
111.04443	4.7
111.08078	5.6
111.11710	5.3
115.05475	2.8
117.07008	2.0
119.04938	7.8
119.08582	15.3
121.06525	3.4
121.10140	41.4
123.04425	64.5
123.08050	6.1
123.11694	11.6
125.09625	8.5
129.06952	1.7
131.08546	6.9
133.06499	3.2
133.10133	9.1
135.08063	7.7
135.11679	13.3
137.09644	2.8
137.13246	3.3
139.03900	100.0
139.11157	2.5
141.06956	1.5
143.04929	3.2
143.08562	3.1
145.10143	3.3
147.04405	25.3
147.08046	1.7
147.11685	10.3
149.09599	12.3
149.13257	8.7
151.03899	2.6
151.07553	6.2
151.11198	1.7
153.12694	1.2
156.09294	1.2
157.06438	1.4
157.10107	4.2
159.11699	1.9
161.05992	8.4
161.09674	1.9
161.13277	5.5
161.14511	1.3
163.03960	1.5
163.11180	1.9
163.14864	2.3
165.05466	14.4
165.12741	2.1
167.01482	1.1
167.10678	59.2
171.11557	2.5
173.13287	7.4
174.25710	1.2
175.11211	5.0
175.14825	3.1
177.05501	1.9
179.07016	2.7
185.13208	1.6
187.14790	2.3
189.05449	1.6
189.09039	1.4
189.12712	2.2
189.16391	1.9
191.10730	7.5
191.14304	3.5
197.13327	1.5
207.06641	6.0
207.13722	2.1
207.84497	1.2
215.14346	3.9
217.08569	1.7
217.12224	1.7
217.19519	2.2
227.14333	1.5
231.17546	1.6
233.15361	11.6
245.08014	1.7
249.18570	1.4
273.18475	6.9
273.25732	5.8
291.08426	7.9
291.16077	2.2
291.19565	16.1
291.23279	2.4
291.26767	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	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01874	1.8
55.05513	10.4
57.03422	1.6
57.07058	2.1
59.04988	3.1
67.05500	6.3
68.99777	1.4
69.03447	2.4
69.07070	1.7
69.14423	9.6
69.14833	2.4
70.06580	1.0
71.04979	3.5
79.05484	7.3
81.03413	1.6
81.07059	8.3
83.04967	2.8
83.08627	7.5
85.02873	1.0
86.67311	1.1
91.05476	6.1
93.07052	11.5
95.04980	6.3
95.08613	17.9
97.06520	4.8
105.07029	8.0
107.04958	9.5
107.08589	9.2
109.06504	5.0
109.10150	3.2
111.04442	1.5
111.08087	40.3
113.06018	1.6
113.09653	1.5
119.04933	2.3
119.08591	8.6
121.06510	3.0
121.10153	6.6
123.04436	23.2
123.08079	33.1
123.11691	2.2
125.09647	2.2
129.07033	1.7
131.08572	4.6
133.06477	4.0
133.10136	6.0
135.08095	6.0
135.11731	2.7
137.09660	2.5
139.03902	38.7
145.10071	5.9
147.04434	8.1
147.08090	3.6
147.11652	5.8
149.09651	6.0
151.07550	100.0
155.10632	2.0
156.09325	1.3
157.10120	3.8
158.10808	1.2
159.08031	1.4
161.05998	2.4
161.09628	3.8
163.03909	1.1
163.11200	3.2
165.05476	4.0
165.09155	1.6
171.11606	2.1
173.09622	1.4
173.13228	5.3
174.10353	1.7
175.11180	4.0
177.09154	2.4
179.07074	1.8
179.10649	4.9
181.12251	2.4
189.05473	1.4
189.12738	25.5
191.10681	1.4
191.14320	9.6
192.11497	3.4
197.11732	14.7
197.13332	1.8
205.12134	1.2
207.06577	2.5
207.13802	65.9
213.16309	1.7
215.14348	4.0
217.12274	3.9
231.17413	3.2
233.15350	29.7
233.17535	2.2
235.13257	1.4
249.18471	2.1
255.17276	2.2
273.18546	5.3
278.37997	1.5
291.08780	1.4
291.19550	45.9
291.26868	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
56.05041	1.0
58.99583	1.8
59.50932	0.8
60.05650	18.6
60.44493	1.0
68.05023	1.1
69.03416	1.7
70.06594	89.7
70.65100	1.4
71.01353	2.9
71.04996	17.0
72.04446	0.8
72.08154	7.3
73.02923	1.7
73.06505	0.9
74.02441	3.9
74.97632	0.8
75.50619	0.8
80.05014	1.4
81.03404	1.0
84.04517	1.1
84.08156	1.9
85.02908	2.3
86.99033	2.0
88.03981	3.2
88.07643	4.2
89.02406	1.4
89.81195	0.8
91.05529	0.9
95.01318	2.1
95.06094	7.8
96.04462	1.1
97.07643	2.5
98.00633	1.4
98.02414	1.4
98.06075	4.2
98.97547	1.2
99.00826	1.6
99.04454	1.1
100.04034	1.2
101.00871	1.3
102.81680	0.9
103.02454	1.8
110.02397	1.6
112.03941	1.2
112.08736	17.3
113.00841	1.0
113.07132	4.2
114.05527	2.1
114.10283	3.0
115.03738	2.2
115.08699	12.0
116.01665	6.4
116.03467	4.5
116.07097	26.0
119.01937	1.3
119.67702	0.9
123.04412	3.4
123.05488	0.9
124.03963	4.0
124.04835	0.8
127.03856	0.8
127.42306	0.9
128.07095	1.3
129.01659	1.0
130.05000	3.5
130.09738	7.5
131.01904	1.7
132.95819	1.2
134.04497	4.9
139.03935	3.5
140.07059	3.1
140.08188	2.8
141.06587	7.8
142.03229	3.2
142.04984	4.6
142.08647	1.3
143.00212	1.0
144.01065	1.2
145.03464	1.5
150.05473	2.1
157.03470	2.7
157.10867	1.6
158.08037	1.7
158.09230	10.8
159.02652	1.0
159.07664	5.3
162.02274	1.1
168.06618	5.2
170.08157	1.3
173.03015	1.4
175.04523	2.1
175.11906	60.8
184.07214	1.1
185.09204	1.3
186.03085	1.0
186.07602	4.6
195.07645	1.7
196.06042	2.4
201.02431	1.7
203.03911	1.0
210.08737	3.0
211.07101	1.0
213.08710	3.9
214.07091	5.0
217.12903	2.2
221.05212	0.9
228.09795	3.4
229.01801	1.0
231.09810	3.1
232.08151	11.4
238.08208	1.8
245.05914	7.2
245.12410	3.2
246.22731	0.9
249.10718	1.1
253.07709	1.5
256.09341	4.3
273.00574	1.1
273.05112	0.9
273.11172	1.4
274.10223	2.1
291.06729	30.8
291.10364	36.6
291.13025	100.0
292.13074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.1
58.99570	1.1
60.05647	12.2
70.06593	55.0
71.01349	1.7
71.04996	10.9
71.48386	1.1
72.08154	4.9
74.02413	2.9
77.93501	0.9
78.81608	1.0
83.41640	0.9
84.04482	1.6
84.08163	1.8
86.99053	1.2
88.03970	1.2
88.07613	2.5
88.12969	0.9
88.43094	0.8
89.02390	1.3
95.06091	5.8
95.29639	0.9
97.07642	1.8
98.02419	1.4
98.06066	1.4
106.96832	0.9
112.08739	11.1
113.07110	1.9
114.10271	1.2
115.08675	8.4
116.01664	2.0
116.03452	3.1
116.07093	15.4
123.04404	2.3
128.07089	1.3
130.05025	1.4
130.08745	1.7
130.09749	4.9
134.04468	3.9
139.03925	1.8
140.07117	1.9
140.08151	1.0
142.03249	1.5
148.06110	1.2
150.05588	2.4
157.10849	1.1
158.08160	1.1
158.09254	6.0
166.41650	1.0
168.06555	3.3
175.11897	42.2
186.07573	2.8
195.07660	1.3
196.05997	2.7
210.08684	1.9
213.08667	1.1
214.07121	2.6
228.09868	2.4
231.09772	2.0
232.08168	8.5
238.08110	2.9
245.05867	2.4
245.12447	2.3
256.09271	4.3
273.11725	1.8
274.10110	1.5
291.06732	12.2
291.10416	100.0
291.13065	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0976
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
55.05500	3.6
55.27083	1.0
56.05029	1.1
65.03929	1.2
67.05524	1.5
68.39075	1.1
68.99796	2.3
69.03412	1.1
70.06597	2.1
70.65345	2.2
82.06587	2.0
83.04962	1.5
83.08630	1.7
84.77868	0.9
85.06523	1.1
87.00816	1.4
88.04004	1.6
91.05476	1.8
91.58105	1.1
95.05003	1.9
98.09674	1.5
100.02203	1.7
100.07651	1.4
100.11259	4.5
103.05458	1.2
105.06957	1.4
107.04959	4.2
111.04447	3.3
115.05470	6.0
117.05761	2.0
118.06547	12.4
119.04947	3.7
123.04427	33.8
129.07002	2.5
130.06529	100.0
131.04973	1.3
132.08096	37.9
133.06448	0.9
136.62535	1.0
137.06049	1.0
139.03905	52.9
141.11488	1.2
142.06529	13.9
143.04910	1.1
143.07339	1.6
144.08070	6.6
146.06009	20.4
147.04422	10.3
151.03934	1.2
156.02945	1.4
156.08116	4.9
157.07600	5.4
158.06012	2.5
158.08412	5.2
159.09181	90.8
160.07617	4.9
161.05980	4.7
165.05457	7.3
167.06012	2.9
169.07645	2.4
170.06007	34.4
171.09145	1.7
179.07080	1.8
181.07576	2.1
182.06084	1.2
182.15309	2.0
183.09174	7.0
184.07593	19.4
185.07112	38.9
187.08662	3.8
188.07077	39.9
189.05539	1.7
199.08681	2.5
200.07083	8.8
201.10245	14.0
204.66463	2.6
205.09807	1.3
206.86281	1.0
207.06564	3.4
210.14932	2.0
218.66241	2.7
227.08156	48.3
229.09679	2.6
231.07663	3.3
245.09225	74.0
246.09372	1.6
249.07611	1.2
255.07701	3.6
255.81316	1.3
262.12140	2.0
273.08682	7.8
273.12213	1.6
291.08633	2.9
291.13855	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	291.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34849	0.6
55.05529	0.8
58.03841	0.6
58.99578	2.4
60.05655	6.8
68.05004	0.7
69.03413	0.9
70.06595	35.9
71.01365	1.4
71.04996	5.0
71.30188	1.5
72.08141	4.0
74.02422	1.9
79.16364	0.7
80.04996	1.3
81.03380	1.1
84.08142	1.2
85.01401	2.5
85.02901	1.3
86.99043	1.6
88.02216	0.7
88.03963	1.2
88.07615	2.3
89.02425	0.9
92.49758	0.7
95.06084	3.3
96.04455	0.8
97.07647	1.1
98.06046	1.1
103.02451	5.7
105.21202	0.6
112.08739	6.6
113.00848	1.8
113.07137	1.2
114.05596	0.8
115.03683	1.8
115.08684	5.8
116.01673	4.9
116.03439	1.5
116.07093	10.3
121.03481	2.2
123.04426	3.3
124.03967	1.1
129.00346	0.8
129.03972	1.7
130.05055	1.8
130.09763	3.2
131.01894	3.4
134.04475	1.7
139.03905	4.4
140.07060	0.8
140.08102	0.7
141.06601	1.7
142.03209	2.8
142.04977	1.8
144.01163	0.8
145.03404	0.9
147.01358	1.9
147.05115	0.9
152.07153	0.8
155.01863	1.2
157.03490	4.9
158.09253	4.7
159.07683	0.9
162.02229	1.0
165.05466	1.2
168.06557	1.6
173.02991	3.5
175.00914	0.8
175.04527	1.2
175.11913	22.4
175.13422	1.2
186.07608	1.7
188.03619	0.8
196.06033	1.2
201.02423	1.9
210.08694	2.1
213.08684	1.6
214.07109	2.2
216.05109	0.9
219.03413	1.2
229.01901	3.2
231.09723	1.2
232.08182	3.2
238.08241	0.8
245.05904	3.8
245.12451	2.3
253.07738	0.8
254.99730	0.7
256.09344	1.3
273.00940	1.6
273.05206	0.9
273.11658	0.8
274.10187	0.9
291.06784	18.9
291.10449	100.0
291.13104	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	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
65.03941	1.6
67.05505	1.6
68.99799	2.5
69.03413	0.5
70.21500	1.7
77.03940	0.6
79.78279	0.3
83.04990	1.4
85.02913	0.8
91.05477	2.2
93.03424	1.2
95.04956	3.0
95.43948	0.4
98.20811	0.4
105.03381	0.9
107.04945	0.5
111.04453	3.3
115.05454	1.6
119.04946	6.8
123.04436	72.5
124.04804	0.7
127.03915	1.4
133.06482	1.3
137.02359	1.2
137.05989	1.0
139.03911	100.0
140.04224	0.8
143.04942	3.9
147.04422	23.9
149.05952	0.5
151.03937	2.8
153.05418	0.6
161.06001	8.5
163.03929	1.8
163.07579	0.5
165.05499	14.6
169.04936	1.0
173.84723	0.4
177.05479	1.2
179.06981	3.3
181.04997	1.0
189.05536	2.0
205.08707	0.4
207.06543	7.0
249.07642	1.4
273.07587	1.2
281.74557	0.4
291.08722	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01863	1.4
57.44713	0.5
65.03938	1.0
67.05486	1.4
68.99788	1.6
69.85533	2.4
72.11631	0.4
83.04980	1.1
85.02889	0.5
91.05486	2.0
93.03390	0.7
95.04966	2.2
97.02898	0.5
105.06999	0.6
111.04434	2.5
115.05478	0.9
119.04959	5.5
121.02843	0.5
123.04429	66.8
123.32864	0.5
124.60079	0.4
127.03918	0.8
129.54097	0.5
133.06573	0.7
134.16995	0.5
135.04413	0.6
137.02309	0.8
137.05891	0.4
139.03903	100.0
140.04265	0.6
143.04909	1.8
147.04411	19.9
151.03929	2.3
153.05475	0.8
161.05978	7.5
163.03915	2.4
165.05476	15.6
169.04951	1.3
177.05513	0.8
179.07047	2.9
181.04912	0.9
189.05467	2.4
205.08638	0.7
207.06563	6.9
229.27795	0.5
249.07614	1.3
273.07538	1.1
291.08716	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	290.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.4
56.61544	0.1
63.04440	0.1
70.06588	0.3
70.58317	0.5
75.54425	0.2
81.65656	0.1
84.03994	0.4
84.04501	8.2
84.08140	0.2
85.02933	0.2
86.09695	0.4
91.05460	0.3
102.05512	0.3
103.05449	0.2
107.04893	0.2
109.02849	0.2
111.04411	0.4
115.05465	0.4
116.59779	0.2
117.07015	2.1
118.06570	0.2
120.08128	0.2
123.04428	1.5
124.04768	0.3
127.03905	0.3
130.05002	2.9
130.06502	0.3
132.08078	0.5
135.04356	0.4
136.04747	0.4
136.07596	0.2
139.03914	2.0
143.07318	1.2
144.08080	100.0
145.06532	0.2
145.08391	1.4
147.04373	0.5
153.01836	0.6
154.02133	0.4
155.05991	0.3
155.88963	0.2
161.06035	0.2
161.10742	5.0
163.03935	0.2
164.04330	0.3
165.05389	0.3
194.06482	0.2
198.06490	0.1
200.08981	0.2
207.06497	0.2
214.10216	0.2
227.11763	3.2
273.12311	4.4
290.07541	0.7
290.12216	0.2
290.14969	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01871	2.0
55.75215	0.5
65.03946	0.8
67.05499	1.3
68.99793	1.8
69.77383	1.8
81.04003	0.5
83.04988	1.3
85.02926	0.7
91.05478	1.8
93.03413	1.0
95.04953	2.9
105.03368	0.5
105.07024	0.7
107.04970	0.6
108.16781	0.4
111.04455	2.5
111.05133	0.5
115.05482	1.1
119.04946	6.5
123.04430	68.2
127.03927	0.8
133.06451	0.8
137.02417	1.0
137.05981	1.0
139.03903	100.0
140.04280	1.0
143.04919	3.3
147.04411	21.1
147.71692	0.5
149.05936	0.5
151.03920	2.8
151.07478	0.5
151.14865	0.4
153.05467	0.7
161.05980	8.7
161.07268	0.6
163.03925	1.7
165.05482	12.5
169.04979	1.3
177.05547	1.1
179.07060	2.8
181.04971	0.9
188.30360	0.4
189.05453	1.8
207.06541	6.7
249.07588	1.3
250.26544	0.4
273.07617	1.6
291.08600	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.94830	0.3
53.03950	0.4
55.05506	1.2
57.07077	0.6
58.34483	0.2
62.15720	0.3
62.46581	0.3
65.03935	1.1
67.05507	1.6
68.99814	0.3
69.03420	0.4
69.07089	1.4
69.33907	2.5
70.06589	0.3
71.04988	0.3
72.08150	0.3
77.03948	0.4
79.05489	2.4
80.05018	0.6
81.03419	0.4
81.05798	0.6
81.07063	3.7
83.04991	0.7
83.08617	0.5
85.02900	2.7
85.06519	0.3
86.03222	0.6
89.03929	0.4
91.05484	5.8
92.06270	0.5
93.03390	0.6
93.07029	2.3
94.06584	1.1
95.04978	0.8
95.08595	2.3
96.08134	2.0
97.57803	0.3
103.05447	0.6
104.04989	0.6
105.05779	0.3
105.07003	2.1
106.06564	2.3
107.04943	0.6
107.08614	2.3
108.04509	0.3
108.08132	0.9
109.06519	0.9
109.10172	1.4
110.06083	0.3
111.04464	1.5
111.08047	0.3
116.04979	0.8
117.03384	0.4
117.05790	1.5
117.07019	0.5
118.06539	5.4
119.07346	0.8
119.08597	1.9
120.08115	13.2
121.02889	0.5
121.06490	0.4
121.10145	1.6
122.09682	0.8
123.04432	3.3
123.08057	0.4
123.11671	0.7
124.07597	11.1
125.09623	0.3
126.09158	1.2
127.03940	1.6
129.07028	0.4
129.60785	0.3
131.04839	0.3
131.08577	1.0
133.05278	0.5
133.06432	0.4
133.10133	1.4
134.06026	6.3
135.04430	6.8
135.06721	0.4
135.08038	0.5
135.11687	0.8
136.07584	6.3
137.05994	0.7
138.05484	2.5
138.09135	0.5
139.03903	2.9
143.08522	0.5
145.02921	0.3
145.10089	1.2
146.05995	6.6
146.07111	0.5
147.06793	2.4
147.07980	0.5
147.11696	0.8
148.06387	0.6
148.07579	10.5
149.02309	0.8
149.13258	0.5
150.09146	0.8
151.03928	1.4
151.05022	0.3
152.07056	0.6
153.01846	2.3
157.10120	0.5
159.04454	0.3
159.11703	0.8
161.09665	0.4
161.13266	0.5
163.03915	3.1
163.11136	0.5
164.07074	100.0
165.07675	1.0
166.08646	3.2
171.11719	0.3
173.09540	0.3
173.13268	0.5
174.12799	0.3
175.14815	0.6
180.06523	0.3
187.14809	0.5
198.09163	0.5
200.10712	0.7
201.16472	0.3
214.11003	1.0
215.11824	0.3
215.15451	1.7
215.17657	0.5
216.10251	2.2
225.13960	0.4
226.12292	0.5
228.10254	0.5
229.13441	1.1
232.09616	0.4
243.14929	5.4
245.16451	2.4
253.13309	0.9
254.11694	0.9
259.05945	0.7
261.07443	0.4
271.06039	0.6
271.14417	20.8
271.24118	0.5
272.14932	0.4
289.07135	2.6
289.15463	72.2
289.22025	2.2
289.25360	1.5
289.80917	0.3
290.15793	0.6
300.17117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
55.01880	0.3
55.05504	0.7
62.30203	0.2
62.62874	0.2
63.02404	0.4
65.03930	0.8
67.01862	3.0
67.05487	1.2
68.99786	3.0
69.03437	2.0
69.07053	1.0
70.82780	0.7
76.38853	0.2
79.01862	0.4
79.05489	2.1
81.03382	0.3
81.07059	1.5
83.01326	0.7
89.03412	0.5
89.03922	6.3
91.05463	0.6
93.03403	1.2
93.07045	1.3
95.04937	0.4
95.08599	1.2
97.02886	1.2
97.06517	0.3
98.20820	0.3
105.03411	0.3
105.07013	0.8
107.04967	2.2
107.08594	1.1
109.10151	0.9
111.00809	3.3
111.04453	2.6
117.03380	10.2
119.08562	0.5
121.10139	0.8
123.04431	5.9
123.11719	0.4
127.03897	0.8
131.08569	0.4
133.10118	0.7
135.04420	17.0
135.11679	0.3
137.02348	0.5
137.06000	0.6
139.03889	2.4
141.06894	0.3
145.02852	11.6
145.04002	0.6
145.10065	0.4
147.11688	0.5
149.13235	0.6
151.03943	1.5
153.01831	100.0
154.02130	0.4
159.04439	1.2
161.06032	0.6
163.03903	62.7
164.04309	0.5
171.02875	2.4
175.14819	0.4
177.05472	0.3
179.03386	5.3
187.03906	2.4
197.06023	0.4
205.05029	1.8
223.05969	0.4
229.13332	0.9
243.11307	0.5
243.15149	0.4
245.16571	0.4
247.06012	0.4
253.04996	0.5
271.06055	2.5
271.14407	1.0
271.24292	0.4
285.94608	0.3
289.07068	74.9
289.15344	2.2
289.25229	1.6
290.07452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74814	0.9
55.01868	5.2
70.06534	1.2
70.94088	1.3
70.94412	1.5
72.08144	6.8
81.07039	1.4
86.09672	0.8
93.03415	1.1
93.07040	1.1
95.08624	1.2
97.07645	3.0
107.78725	0.9
111.04438	1.4
114.10291	21.7
115.05430	1.0
118.06504	2.6
123.04408	3.5
127.03896	3.6
129.07016	2.0
130.06529	2.3
131.07309	1.6
135.04410	6.8
139.03923	2.6
142.06429	1.0
143.07239	1.1
144.08087	19.8
151.04024	1.2
153.01802	2.4
154.02103	1.1
154.06490	6.8
155.07245	2.8
156.08038	4.2
158.63542	0.8
163.03920	1.9
167.07268	3.1
168.08090	61.9
169.08801	1.8
170.05997	6.3
170.08232	2.1
170.09650	36.3
172.07591	2.6
182.06029	1.6
182.08284	1.5
182.09668	3.6
184.07602	1.0
186.09146	26.1
188.07013	2.8
194.05949	2.0
196.07578	55.7
198.09200	4.6
199.08685	6.6
200.07074	13.1
211.08641	1.0
212.06985	7.2
214.08627	32.4
216.10176	9.7
217.09718	12.4
226.08626	3.6
228.10231	6.2
230.07907	1.4
242.08113	11.5
245.12881	17.9
260.09189	100.0
271.10632	3.2
271.14130	1.1
272.09195	11.9
289.06064	27.7
289.11780	20.9
289.15012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
55.01874	0.6
55.05516	0.4
65.03927	0.8
67.01865	4.0
67.05496	0.5
68.99792	3.4
69.03428	2.2
69.07062	0.4
71.32440	0.3
71.42298	0.7
72.93739	0.3
79.05486	1.3
81.03400	0.6
81.07047	1.2
83.01334	0.7
83.08583	0.3
84.08092	0.3
85.02896	0.4
89.03912	5.2
91.05475	1.1
93.03401	1.5
93.07035	1.1
95.04957	0.5
95.08592	1.0
97.02885	1.1
97.06509	0.4
101.41738	0.3
105.07007	1.0
107.04943	2.0
107.08589	0.7
109.10149	0.6
111.00790	2.8
111.04446	2.7
117.03381	9.2
119.08578	0.5
121.10149	0.5
123.04430	5.2
123.11671	0.5
125.02364	0.4
127.03925	1.1
131.04959	0.6
131.08600	0.3
133.10124	0.6
135.04411	16.1
137.02348	0.6
137.05966	0.9
139.03900	3.3
145.02849	10.8
145.03996	0.5
145.10068	0.4
149.13332	0.3
151.03874	1.3
153.01823	100.0
154.02194	0.7
159.04395	1.0
159.11723	0.5
161.06003	0.9
163.03896	56.5
164.04196	0.3
171.02890	5.3
173.13283	0.4
174.96912	0.4
179.03372	5.5
179.19722	0.3
187.03835	2.0
197.05972	0.4
201.05440	0.4
205.04987	1.0
229.05080	0.3
243.06509	0.4
247.06004	0.6
253.04958	0.5
271.06061	2.4
289.07053	67.3
289.21646	0.7
289.25153	0.5
290.07303	0.8
311.12775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
61.99862	0.6
65.03949	0.7
67.01871	3.6
67.05496	0.9
68.99792	2.6
69.03415	1.6
69.43608	5.2
69.43958	0.9
72.38534	0.7
77.84614	0.7
79.05495	1.4
83.01363	0.8
89.03918	5.5
107.04945	2.7
111.00811	1.9
117.03371	8.7
123.04438	6.1
135.04419	13.6
137.02388	0.8
139.03897	2.6
144.37373	0.7
145.02850	11.7
151.03899	1.2
153.01837	100.0
159.04475	1.7
163.03912	62.5
164.07115	0.9
171.02887	2.3
178.70825	0.7
179.03413	5.0
187.03943	1.9
216.71986	0.7
271.06058	3.2
271.14810	0.6
289.07083	68.6
290.07285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
50.13560	0.6
53.03947	1.1
55.01875	1.9
65.03940	2.4
67.05497	2.7
68.23858	0.5
68.99794	3.2
69.21025	1.4
69.21443	4.9
77.03928	1.4
79.05479	1.2
81.03394	1.0
83.01352	1.2
89.03927	2.7
93.03409	2.5
95.04990	3.6
98.21465	1.3
103.05465	0.9
105.03403	2.7
105.04511	0.7
107.04957	3.7
111.00788	1.3
111.04453	4.2
115.05444	1.1
117.03374	4.0
121.02890	1.5
123.04435	100.0
124.04778	0.9
127.03915	6.5
131.04936	2.4
135.04425	17.7
135.05431	0.9
139.03912	24.7
141.06978	1.8
145.02811	4.6
149.02332	6.2
149.05994	0.8
151.03900	7.8
153.01833	4.8
159.04437	2.9
161.05983	1.0
163.03906	28.4
169.06503	1.2
171.09207	1.0
173.05997	1.7
177.05461	1.7
179.03381	0.7
185.05998	0.9
187.03885	4.6
196.09937	1.4
197.06024	3.3
197.07884	0.6
199.08752	3.6
201.05405	0.9
205.04990	3.6
211.08698	0.9
213.05595	0.8
215.07002	5.3
225.05479	1.6
229.04987	1.0
229.09793	1.5
230.79347	0.7
243.06525	8.5
245.04552	1.6
253.05109	1.2
253.13406	0.8
255.43170	0.7
257.12875	2.0
259.05994	1.1
261.07611	1.4
271.06180	5.3
271.10718	3.8
271.14096	0.6
289.07120	15.0
289.11908	3.7
289.15781	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	289.0706
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
55.01843	0.3
63.02320	0.3
65.03916	0.3
67.01861	6.8
68.99791	3.2
69.03425	1.3
70.90190	0.4
70.90533	0.6
79.05453	0.6
81.03395	0.5
81.06999	0.6
83.01336	0.8
85.02916	0.4
86.07764	0.3
89.03919	4.1
91.05457	0.6
93.03374	1.1
93.07057	0.4
95.04960	0.4
97.02895	1.4
103.05493	0.3
107.04955	1.7
107.08557	0.4
111.00801	3.0
111.04453	1.9
117.03379	7.0
123.04428	4.2
125.02348	0.8
127.03901	1.0
129.01820	0.6
131.04904	0.4
135.04413	13.4
135.07977	0.3
137.02299	0.5
137.05960	1.0
139.03909	2.6
140.07133	0.3
142.59756	0.3
145.02850	9.5
145.04007	0.6
151.03931	1.2
153.01823	100.0
154.02138	0.7
155.02347	0.7
158.09589	0.3
159.04385	1.1
161.05931	0.5
163.03900	45.9
167.03424	0.3
171.02884	9.7
177.05394	0.4
179.03398	5.8
187.03865	1.6
187.26682	0.3
205.04984	1.0
247.06023	0.8
253.05011	0.7
271.06012	2.0
289.07034	60.6
289.25305	0.4
290.07413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2169
Annotation	(plusmn)-Octanoylcarnitine
Peak:m/z	Relative Intensity
55.05515	0.4
57.03442	2.1
57.07077	3.6
58.06596	1.1
60.08166	8.4
65.03918	0.4
67.05515	0.6
69.07061	0.7
69.37102	2.4
70.06586	0.7
74.06068	0.8
79.05499	0.6
81.07037	0.6
84.08141	0.8
85.02908	100.0
86.09698	0.5
91.05463	0.4
93.07042	0.7
95.08629	0.8
98.06042	0.3
105.07081	0.4
107.04987	0.3
108.08976	0.3
109.10211	0.3
110.66311	0.3
116.07057	0.3
121.10153	0.6
123.04411	0.4
127.03915	0.3
127.11201	2.8
135.04456	1.7
135.05345	0.3
135.08063	0.3
138.06303	0.3
139.03914	0.5
144.10175	2.0
145.08748	0.3
153.01863	0.8
154.02147	0.6
163.03838	0.5
170.21870	0.3
185.06194	0.4
227.06979	0.6
229.14360	7.8
271.05984	0.3
288.05844	6.7
288.09735	1.3
288.12579	1.3
288.21719	29.8
288.24045	1.1
289.22125	0.4
293.21964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13560	0.6
53.03947	1.1
55.01875	1.9
65.03940	2.4
67.05497	2.7
68.23858	0.5
68.99794	3.2
69.21025	1.4
69.21443	4.9
77.03928	1.4
79.05479	1.2
81.03394	1.0
83.01352	1.2
89.03927	2.7
93.03409	2.5
95.04990	3.6
98.21465	1.3
103.05465	0.9
105.03403	2.7
105.04511	0.7
107.04957	3.7
111.00788	1.3
111.04453	4.2
115.05444	1.1
117.03374	4.0
121.02890	1.5
123.04435	100.0
124.04778	0.9
127.03915	6.5
131.04936	2.4
135.04425	17.7
135.05431	0.9
139.03912	24.7
141.06978	1.8
145.02811	4.6
149.02332	6.2
149.05994	0.8
151.03900	7.8
153.01833	4.8
159.04437	2.9
161.05983	1.0
163.03906	28.4
169.06503	1.2
171.09207	1.0
173.05997	1.7
177.05461	1.7
179.03381	0.7
185.05998	0.9
187.03885	4.6
196.09937	1.4
197.06024	3.3
197.07884	0.6
199.08752	3.6
201.05405	0.9
205.04990	3.6
211.08698	0.9
213.05595	0.8
215.07002	5.3
225.05479	1.6
229.04987	1.0
229.09793	1.5
230.79347	0.7
243.06525	8.5
245.04552	1.6
253.05109	1.2
253.13406	0.8
255.43170	0.7
257.12875	2.0
259.05994	1.1
261.07611	1.4
271.06180	5.3
271.10718	3.8
271.14096	0.6
289.07120	15.0
289.11908	3.7
289.15781	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	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01863	2.0
68.99793	1.3
69.79579	0.1
70.64626	0.4
74.83478	0.2
75.02692	0.1
79.05474	0.5
81.07034	0.2
87.02460	0.2
89.03922	0.6
105.07015	0.2
105.16717	0.1
107.04968	0.3
107.63854	0.2
109.02837	0.2
111.00778	0.5
117.03384	0.9
125.02373	0.2
129.01833	0.2
135.04430	4.4
137.02354	1.5
139.05432	0.2
145.65900	0.1
149.57729	0.1
153.01837	11.9
157.06496	0.3
161.02350	1.1
171.02878	0.6
171.04306	0.2
179.03442	0.6
185.05980	0.5
203.03445	0.4
213.05440	0.5
219.06488	0.2
241.04912	1.4
245.04506	0.3
259.05975	0.3
269.04456	0.9
287.05505	100.0
288.05872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.05490	1.0
56.05035	1.1
56.10166	0.8
56.96559	1.1
57.03433	8.0
60.05642	15.2
63.00026	1.0
64.68933	0.7
65.03912	0.8
67.05506	5.6
68.05011	1.2
68.99767	1.3
69.03416	1.9
69.07059	1.2
70.06588	100.0
70.97825	1.0
70.98180	1.6
71.04990	7.2
71.06918	2.0
72.08145	11.2
73.06575	1.0
79.05468	1.0
81.03416	1.9
81.07034	1.2
84.04507	7.9
84.08128	6.6
85.02895	2.3
85.06541	15.6
86.06052	1.2
86.09695	3.5
87.08122	0.9
88.03974	1.2
88.07664	1.0
90.94855	0.8
91.05473	1.0
93.07050	0.9
95.04964	17.4
95.06052	1.7
96.05312	1.1
96.08096	1.8
97.02869	4.5
97.07645	3.8
98.06061	1.1
99.04478	1.2
99.15514	0.8
104.99960	0.8
107.04955	1.8
109.02834	1.1
109.06462	1.0
110.06075	0.9
110.07133	0.9
111.05626	1.1
112.07588	35.6
112.08714	15.1
113.06001	71.9
113.07182	1.9
114.06300	0.9
114.10271	3.8
115.08684	5.9
116.07085	19.7
117.03476	0.9
121.02877	4.3
121.31343	0.8
122.02734	1.9
122.06020	0.9
123.04426	7.3
124.03931	1.3
124.04740	7.1
124.07582	5.5
124.99972	0.8
125.07108	1.1
127.03895	1.1
129.10223	1.1
130.05002	3.0
130.08640	2.9
130.09749	7.3
135.04378	0.9
136.03917	0.9
137.02267	1.1
137.07121	0.8
138.05685	0.8
140.07071	17.1
147.04372	2.3
149.02371	1.8
149.05997	1.1
153.01837	3.2
153.10231	3.6
157.04990	5.0
157.10826	1.3
158.09239	26.6
163.03865	2.1
163.12285	2.1
165.05409	2.1
165.07866	1.1
165.13910	1.8
166.03246	1.5
166.05865	1.5
166.08679	1.2
166.12234	5.1
173.07056	1.9
175.03874	1.7
175.11903	28.9
185.09267	1.1
193.04939	1.6
196.07950	1.4
203.03392	1.7
208.14365	4.0
209.12836	5.5
210.11247	1.4
213.05472	1.0
221.04849	1.1
225.17125	5.3
227.13899	2.0
228.12273	3.2
231.06465	1.8
245.04349	2.0
252.13530	4.9
269.04340	1.2
269.16183	7.8
270.14496	5.0
287.02231	1.3
287.05493	31.5
287.10855	13.1
287.17114	97.6
288.05707	1.5
288.17514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.47905	0.1
56.30732	0.1
56.61057	0.1
60.44381	0.1
67.01546	0.1
67.01872	1.7
68.99792	1.2
71.13897	0.3
79.05489	0.3
81.03430	0.2
83.31445	0.1
89.03935	1.0
105.03326	0.1
107.04960	0.3
111.00777	0.3
111.04446	0.2
117.03400	0.8
120.08115	0.3
125.02323	0.2
129.01813	0.2
129.07011	0.2
135.04420	4.7
137.02328	1.3
139.05392	0.3
147.04390	0.2
153.01834	11.8
157.06461	0.4
161.02336	1.3
171.02901	0.6
171.04250	0.1
179.03456	0.6
180.38800	0.1
181.07607	0.2
181.62410	0.1
197.07179	0.6
199.03926	0.2
203.03355	0.3
213.05447	0.5
219.06523	0.2
227.08246	0.3
235.62967	0.1
241.04913	1.4
241.09839	0.2
245.04497	0.3
259.05930	0.2
259.18112	0.2
269.04449	0.8
269.09067	0.7
287.05505	100.0
288.05807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.09475	0.1
53.03945	0.1
67.01861	1.6
68.99447	0.0
68.99783	1.3
69.03429	0.1
69.89375	0.2
69.89775	0.1
79.05476	0.3
81.03384	0.1
89.03913	0.7
91.05470	0.2
92.21397	0.1
95.04990	0.1
97.02883	0.1
98.20815	0.1
101.34810	0.1
103.05437	0.1
105.07016	0.1
107.04971	0.4
109.02888	0.1
109.06516	0.1
111.00806	0.2
111.04457	0.2
115.05434	0.2
117.03377	0.8
121.06476	0.2
125.02341	0.1
127.03944	0.1
129.01833	0.2
129.06999	0.1
131.04961	0.2
133.02768	0.1
135.04408	4.7
135.08044	0.3
137.02342	1.3
137.03343	0.1
137.05969	0.5
138.49617	0.1
139.05455	0.1
143.04903	0.1
145.06503	0.1
147.04424	0.2
148.07542	0.1
149.05962	0.4
151.07556	0.3
152.06256	0.2
153.01822	12.0
157.06488	0.2
161.02324	1.4
163.07556	0.5
165.07024	0.1
166.07817	0.2
167.04924	0.1
167.08549	1.0
171.02875	0.6
171.04437	0.2
176.10564	0.1
177.06956	0.1
179.03395	0.6
181.07762	0.1
183.08098	0.1
185.05873	0.4
189.05452	0.1
194.07329	0.1
195.08031	1.1
196.08891	0.1
197.07141	0.3
199.03891	0.1
203.03369	0.4
203.06885	0.1
209.09540	0.1
212.08315	0.3
213.05443	0.4
217.04984	0.1
219.06526	0.1
223.07452	0.4
227.08282	0.2
227.10579	1.3
231.06404	0.2
237.09152	0.1
240.07748	0.1
241.04941	1.6
245.04463	0.2
255.10201	0.9
259.06094	0.2
269.04462	0.8
269.09094	0.4
270.05203	0.1
286.04538	0.1
287.05478	100.0
288.05792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01868	0.2
55.05502	0.2
65.03930	0.4
65.62913	0.1
67.01845	0.5
67.05482	0.3
68.99445	0.2
68.99792	2.2
69.03427	0.3
69.07056	0.2
69.31970	1.1
70.06589	0.2
71.01360	0.1
71.24557	0.1
73.02917	0.1
79.05508	0.8
81.03424	0.2
81.07056	0.3
81.86697	0.1
82.61224	0.1
89.03908	0.1
91.05470	0.4
93.07030	0.4
95.04953	0.3
95.08583	0.2
97.02885	0.2
97.06545	0.1
98.20740	0.1
103.05445	0.3
105.03398	0.8
105.07021	0.3
107.04965	1.2
107.08571	0.2
109.02857	0.6
109.10150	0.3
111.00828	1.3
111.04454	0.4
115.05468	0.4
117.07043	0.1
119.04966	0.2
119.08568	0.2
121.02872	5.8
121.03869	0.4
121.06525	0.2
121.10151	0.2
127.03911	0.3
128.06216	0.2
129.06969	0.3
131.08543	0.2
133.02855	0.6
133.10152	0.1
134.13345	0.1
135.04428	0.9
136.07553	0.5
137.02333	2.2
141.07018	0.2
145.06488	0.4
145.10086	0.1
147.04402	1.3
147.11752	0.2
149.05943	0.2
153.01833	10.9
154.06425	0.1
157.06493	1.2
161.02332	0.3
161.05972	0.5
163.03828	0.3
164.07100	0.3
165.01836	3.4
167.06033	0.3
167.08533	0.2
169.07648	0.3
171.02989	0.3
171.04401	0.6
181.07631	0.9
182.08429	0.2
183.02893	1.5
185.05740	0.9
185.07201	0.5
189.05452	0.4
191.07083	0.1
195.09291	0.3
197.07176	2.1
199.03827	0.2
203.03468	0.4
203.07068	0.4
209.07162	0.7
211.08678	0.5
212.04671	0.2
213.05444	2.7
217.04909	0.2
222.07957	0.1
223.08847	0.3
225.06639	0.2
227.08183	1.7
229.04945	0.4
231.06479	1.0
241.05017	1.4
241.09763	0.1
245.04575	0.3
251.08104	0.1
255.10243	0.2
258.05267	2.2
259.06107	0.7
269.04416	0.6
269.09198	3.2
287.05499	100.0
288.05850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26176	2.6
53.03928	4.2
55.01847	10.3
56.85379	2.5
56.96567	34.5
57.03436	26.7
59.04983	3.9
60.50953	2.4
60.67913	2.8
61.02931	17.7
61.87092	2.3
63.00032	4.9
64.99715	2.5
68.05017	2.7
68.99789	4.0
69.03095	3.5
69.03432	48.0
70.06606	20.3
71.01347	5.2
71.04973	7.8
71.48663	4.4
71.94087	2.4
71.95260	3.0
72.93755	4.9
73.02919	22.7
77.53696	2.3
80.59243	2.8
81.03420	32.8
83.00777	4.6
83.01303	4.3
83.04956	8.6
84.04466	4.8
84.08144	2.6
84.96011	8.7
85.02905	97.9
86.03674	2.5
86.06052	2.5
87.04436	7.4
89.00747	3.7
90.94813	3.4
91.03931	4.4
95.01292	8.0
95.04933	4.8
97.02899	35.5
98.01289	4.6
98.96946	3.2
98.97585	64.1
98.98460	4.5
99.04425	8.8
100.03950	5.1
101.00825	8.0
101.02393	2.4
106.78159	2.7
107.04889	2.7
109.02869	29.6
110.01319	17.2
110.97599	14.7
111.04428	8.3
112.99967	3.5
113.00755	3.3
113.02338	11.0
113.96396	3.5
115.03878	3.1
116.07026	2.6
116.98592	19.9
117.02008	5.8
117.02850	2.8
119.01824	36.1
121.02832	4.2
124.99149	13.2
126.96987	2.9
127.03928	27.1
128.02350	18.9
128.98598	15.9
131.01884	11.4
132.95805	5.2
132.98079	5.9
133.03461	5.1
134.99620	4.3
135.04393	2.7
137.02441	2.5
138.00693	3.3
138.05495	14.8
139.05843	15.2
140.02260	7.1
140.98552	4.3
141.01791	4.0
143.00139	16.9
143.01855	6.7
143.04460	2.9
144.00705	3.7
144.98027	4.2
145.03424	4.2
145.04912	9.4
146.02254	6.0
146.99593	4.3
150.96805	3.1
150.98990	3.0
152.02307	4.9
153.01775	7.4
154.04909	3.1
154.94209	3.5
157.03407	6.1
158.99585	14.0
161.01155	20.7
161.02817	9.3
162.99039	3.7
163.62347	2.3
165.01741	2.3
167.99908	5.4
170.03352	3.6
170.99596	10.1
171.05060	3.2
172.95180	3.6
173.02925	5.4
173.07002	3.5
174.01752	11.0
175.02531	3.8
176.01624	4.8
177.00595	10.4
179.02185	3.2
182.03267	6.1
183.02295	8.6
185.03036	2.6
185.09227	16.0
186.09593	18.9
186.99086	6.0
188.92505	4.0
189.00639	12.0
189.02209	4.5
190.05766	5.9
190.96220	3.5
191.00221	5.7
191.02100	4.4
191.03833	21.9
191.50272	2.8
195.01680	3.5
197.02090	12.1
198.98462	5.2
199.04562	5.6
199.06317	7.1
200.00723	10.8
200.04430	8.4
201.00644	8.3
203.02165	5.0
205.00133	8.7
206.02620	25.6
207.05185	4.2
208.07065	2.9
213.05544	5.5
219.01750	7.3
223.01350	6.3
229.00102	3.2
237.02699	5.3
247.01128	5.4
248.99187	14.2
259.06241	2.8
262.49506	2.7
267.00119	9.4
272.98965	4.0
287.05435	100.0
287.10806	16.5
287.13992	10.5
291.00284	17.0
303.00418	2.9
309.01105	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	286.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92257	1.1
58.99568	3.1
70.06595	31.9
70.99248	1.7
70.99573	2.0
72.08159	1.7
76.02236	6.9
76.59161	1.0
84.04476	1.7
84.08141	7.8
86.09701	4.4
86.99034	1.6
95.04977	13.9
105.00084	2.7
110.71807	1.1
112.07663	2.4
121.06445	1.3
122.02732	24.6
123.04431	100.0
124.03934	4.2
138.05489	2.1
140.07080	2.4
147.08125	1.3
148.03922	1.6
165.05490	29.3
166.05025	6.9
173.09177	2.4
183.14940	5.7
185.09146	2.5
186.08699	1.2
191.26981	1.1
194.04474	4.0
194.12894	3.9
211.14574	2.2
215.13837	1.3
240.13516	5.7
286.08749	1.4
286.11832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01885	1.2
57.03445	1.0
59.31330	0.7
61.02921	1.3
61.21592	0.7
61.59999	0.8
65.03950	1.0
69.03429	2.6
69.07074	1.4
70.06587	5.3
71.01378	1.1
71.27558	1.2
72.08133	0.9
73.02908	0.9
74.06069	1.3
75.42480	0.8
79.05490	2.3
81.03427	1.8
84.04502	5.7
84.08146	1.5
85.02918	4.7
85.04040	1.6
86.06089	0.8
86.09711	1.7
91.05469	3.8
95.04986	1.3
97.02890	2.2
100.07612	1.0
102.53915	0.8
106.06558	100.0
108.08134	1.1
110.07103	0.9
113.10775	1.4
116.07105	1.1
118.06547	16.8
120.08086	1.6
122.74879	0.7
124.03979	1.7
124.07607	3.4
128.78958	0.7
130.05011	1.9
130.06537	3.5
132.08116	1.2
134.06026	1.5
138.05487	2.2
138.09146	1.1
140.07115	2.3
141.10225	2.4
148.07582	2.6
149.08540	2.2
160.07597	1.5
163.03912	1.2
166.08537	1.0
172.07639	1.0
173.09247	1.1
175.83635	0.8
185.09225	2.4
194.04504	1.2
194.62964	0.8
196.07849	1.5
203.03409	0.9
204.10277	0.9
211.10806	4.6
239.85291	0.8
250.10814	1.5
268.11829	2.1
286.09851	1.0
286.13232	1.7
287.05502	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37572	1.8
53.03951	5.4
55.01866	4.8
55.05515	28.0
57.03439	60.5
57.07080	3.7
59.04969	2.0
67.05502	43.1
69.03410	5.2
69.06728	1.8
69.07059	13.3
69.78427	11.7
71.05000	13.6
79.05495	37.3
81.03419	100.0
81.06591	3.6
81.07059	54.1
83.04980	19.6
83.08154	3.3
83.08621	41.7
85.02907	92.5
85.06548	3.8
89.12788	2.0
91.05482	51.7
93.07043	36.3
95.04976	42.3
95.08597	20.0
97.02902	6.0
97.06525	6.7
97.10149	4.1
98.20909	3.1
98.98470	2.3
105.07033	41.7
107.04941	7.0
107.08595	17.7
109.06516	8.6
109.10162	11.2
111.04457	4.9
111.08076	22.8
113.05976	6.3
117.07043	4.6
119.08575	33.9
121.06477	2.4
121.10138	23.0
123.08064	4.0
123.11698	7.6
125.09637	2.2
127.46095	1.9
129.07021	13.7
131.08560	20.0
133.06520	3.2
133.10124	18.9
135.11685	3.9
137.09627	3.0
142.07788	4.7
143.08524	2.3
145.10115	7.1
147.08055	4.5
147.11708	29.3
149.09634	11.1
149.13277	2.6
157.10135	30.6
159.11685	2.5
165.12781	7.0
169.10051	2.4
173.13289	4.1
175.11195	30.3
175.12624	3.7
185.13286	3.0
193.12250	96.3
210.17117	2.1
211.13278	71.7
285.16928	53.1
285.21869	10.4
285.25635	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01850	5.6
55.05236	1.8
55.05511	29.5
57.02684	1.7
57.03440	59.8
57.07064	3.9
59.04982	2.4
60.08157	2.3
63.00049	2.6
65.03916	2.0
67.05508	46.9
69.03413	6.4
69.07072	15.1
71.04670	1.4
71.05000	13.7
79.05494	41.5
81.03419	94.7
81.07057	65.0
83.04979	21.4
83.08623	32.4
85.02906	100.0
85.06533	4.2
91.05483	56.6
93.07050	31.6
95.04967	41.8
95.08601	26.8
97.02889	3.7
97.06507	7.8
97.10178	5.1
98.98465	2.5
99.08128	2.5
99.45650	1.6
105.06323	2.2
105.07032	43.7
107.04941	8.7
107.08604	15.5
109.06516	9.4
109.10135	7.8
110.93295	1.6
111.04420	4.7
111.08091	16.4
113.06007	8.4
115.05475	3.4
117.06997	3.3
119.08595	35.5
121.06461	2.9
121.10151	20.9
121.13223	1.6
123.08045	2.7
123.11723	8.3
125.09588	2.8
129.07014	18.2
131.08572	20.5
131.83287	1.6
133.06512	4.0
133.10136	16.8
135.11696	1.8
137.09616	3.5
142.07764	4.7
145.10158	8.5
147.08044	3.4
147.11699	34.2
149.09637	12.2
157.10132	25.8
159.08055	2.2
159.11670	4.3
165.12770	7.6
171.01372	2.2
171.11684	2.7
173.13280	2.9
175.11201	27.4
193.12251	88.2
211.13293	69.9
222.24730	1.6
227.17975	3.0
285.16931	63.1
285.22113	8.2
285.25443	3.7
285.33282	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01866	3.2
55.05278	1.2
55.05514	17.6
56.69318	0.9
57.03439	20.9
57.07065	2.2
64.68258	1.3
65.03916	1.4
67.05507	36.1
69.03429	1.7
69.06731	1.6
69.07071	21.9
71.04999	7.2
79.05075	1.6
79.05497	21.5
80.47720	1.1
81.07059	100.0
83.04974	8.0
83.08616	11.4
85.02901	2.5
85.06551	7.5
91.05487	28.2
93.07042	14.8
95.04970	2.8
95.08607	22.5
97.06528	8.4
99.08083	4.9
101.06052	2.0
105.07032	39.1
107.08604	13.7
109.06512	6.8
109.10143	3.4
111.08090	1.6
117.07036	1.9
119.08584	33.0
121.10159	22.3
123.08056	4.1
123.10824	2.1
123.11703	29.2
127.07585	2.4
129.07050	1.7
131.08546	4.1
133.10150	5.3
137.13243	2.3
142.07800	1.6
145.10146	3.1
147.11694	81.7
149.09593	4.3
157.10094	4.4
159.11732	1.2
165.12762	39.0
171.01407	1.8
173.13229	1.1
175.11166	4.4
183.13818	3.3
193.12202	3.2
211.13365	1.4
229.14375	6.0
249.48109	1.1
267.15903	5.1
285.08026	1.2
285.16974	47.1
285.21964	1.7
285.25620	1.6
285.33435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01847	1.9
55.05282	1.0
55.05511	13.8
57.03438	20.2
57.07072	2.2
59.04979	1.7
60.48073	1.0
67.05505	33.8
69.03424	1.6
69.07070	19.2
69.34966	2.7
69.35365	6.9
71.04987	6.7
77.88124	1.1
79.05087	1.2
79.05493	20.0
81.03438	2.0
81.07056	100.0
83.04971	6.6
83.08228	1.1
83.08617	11.5
85.02902	2.0
85.06551	6.2
91.05479	25.2
93.07047	11.9
95.04953	3.3
95.08607	21.5
97.06538	8.1
99.04422	1.1
99.08075	3.3
101.05930	1.7
105.07029	38.0
107.08583	11.6
109.06503	5.3
109.10139	2.9
111.08065	2.2
113.06014	1.2
116.73977	1.0
119.08588	28.2
121.10143	22.4
123.08053	6.1
123.11713	30.0
126.29832	1.2
127.07531	2.9
129.06995	1.9
131.08519	1.7
133.10107	4.7
137.13225	1.6
141.09045	1.6
142.07721	1.9
143.71924	1.1
145.10080	1.8
147.11687	73.1
148.12073	1.6
150.10629	1.2
157.10220	2.5
165.12756	37.3
175.11165	3.8
183.13814	5.2
193.12186	3.7
198.96379	1.0
211.13342	1.6
229.14301	5.1
267.15897	3.5
285.16919	35.9
285.21704	1.8
285.25793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01854	1.3
55.05510	14.3
57.03437	21.7
57.07061	1.2
59.04984	1.5
67.05505	34.2
67.34793	0.9
69.07066	18.4
70.17102	3.7
71.04995	6.3
73.02928	1.0
73.06523	1.1
79.05074	1.3
79.05493	21.7
81.03402	2.3
81.07055	100.0
83.04990	9.0
83.08607	9.3
85.02908	2.2
85.06544	5.8
91.05481	27.4
93.07045	13.1
95.04952	2.4
95.08606	22.3
97.06535	8.5
99.08085	4.6
101.06017	1.6
105.07034	36.4
107.08592	14.3
108.77158	1.0
109.06515	5.7
109.10139	2.2
113.05993	1.8
117.06984	1.3
119.08587	26.7
121.09353	1.2
121.10147	18.0
123.08051	4.3
123.10836	1.7
123.11702	30.0
127.07526	3.2
129.06964	1.8
131.08624	1.4
133.10118	3.3
137.13260	2.2
147.11691	71.2
149.09538	1.0
157.10104	3.4
165.12758	36.1
175.11131	3.0
183.13701	5.0
192.81171	1.0
193.12199	3.5
211.13239	2.2
229.14325	4.1
267.15729	4.2
285.16901	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66758	1.2
53.03944	2.1
55.01854	2.4
55.05278	1.3
55.05511	16.4
57.03441	22.6
60.14634	1.1
63.00044	1.3
63.47238	1.1
67.05505	35.3
69.03411	1.2
69.07070	22.1
69.14019	5.3
69.14452	5.9
71.04989	8.3
73.06562	1.1
79.05078	1.8
79.05501	22.5
81.03430	5.1
81.07057	100.0
83.04982	7.3
83.08616	11.1
85.02895	5.1
85.06536	6.3
90.37396	1.1
91.05482	29.4
93.07055	16.8
95.04960	4.7
95.08610	20.5
95.31503	1.1
97.06547	8.4
97.10141	1.2
98.21608	1.7
98.98464	2.4
99.08078	3.1
101.06002	3.0
105.07032	38.9
107.08595	15.6
109.06541	6.2
109.10131	3.2
111.08069	2.5
113.05994	2.9
115.05379	1.0
119.08587	30.9
121.10146	22.0
123.08052	3.1
123.11707	30.0
127.07544	3.0
128.98503	1.0
129.06996	2.6
131.08557	2.3
133.10106	4.0
135.11662	1.7
137.13278	3.3
140.59505	1.2
141.09132	1.1
145.10136	1.9
147.11691	78.5
149.09579	1.1
157.10123	4.3
165.06990	1.4
165.12761	36.0
175.11156	4.2
183.13794	4.4
193.06509	1.4
193.12251	6.2
211.13272	3.7
221.06039	1.6
225.08896	2.0
229.14395	6.2
238.43973	1.1
253.08580	3.5
267.15924	3.2
285.07547	4.7
285.11618	1.8
285.16949	44.5
285.21893	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01853	1.1
55.05278	1.2
55.05511	17.2
57.03436	21.7
57.07070	1.0
59.04993	1.0
65.03917	2.6
67.05504	37.8
69.03409	1.4
69.07066	19.6
69.32171	6.6
70.14435	0.8
71.04990	8.5
73.02917	0.9
79.05489	22.3
81.03423	12.5
81.07053	100.0
83.04977	8.7
83.08614	10.8
85.02884	3.7
85.06550	7.9
86.09673	0.8
87.04453	1.0
91.05479	29.8
91.33055	0.8
93.06488	1.2
93.07041	16.2
95.04978	4.8
95.08607	25.7
96.08953	0.9
97.06533	10.1
99.08090	5.5
101.06017	1.3
105.07027	39.0
107.04932	1.6
107.08588	14.5
109.06511	5.7
109.10135	3.6
111.08055	3.1
113.05996	1.7
117.06933	0.8
119.08578	32.1
121.06534	1.0
121.09334	1.6
121.10136	21.4
123.04453	1.1
123.08070	4.8
123.11701	32.4
127.07536	3.3
129.07022	2.2
131.08539	3.6
133.06528	1.1
133.10107	4.5
135.11722	1.3
137.09618	1.7
137.13258	2.3
141.09087	1.3
142.07765	1.3
143.08572	1.2
144.08156	1.1
145.10098	2.4
147.11684	73.7
149.09564	1.3
155.08447	1.3
157.10162	5.6
161.05995	1.9
163.03867	1.0
165.06973	1.7
165.12749	35.6
168.08110	1.7
175.11162	5.2
183.13814	4.7
185.13226	0.8
191.03404	2.3
193.06502	1.3
193.12222	9.3
203.17999	1.1
210.06703	2.0
211.13284	2.7
212.14415	1.1
218.39371	0.9
221.05930	2.0
225.08932	3.9
229.14322	5.9
253.08623	5.5
257.04404	0.8
267.15900	3.2
285.07846	4.5
285.11526	3.9
285.16943	39.5
285.22131	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08717	1.2
53.03933	3.1
55.01864	3.4
55.05273	1.6
55.05513	20.4
57.03439	20.3
63.00028	4.1
65.03937	2.5
67.04699	1.3
67.05508	39.1
68.99783	2.3
69.03403	3.7
69.07067	23.4
69.77063	1.4
70.06579	2.9
70.44408	5.0
71.04993	8.8
73.02898	1.6
79.05080	2.0
79.05500	26.3
81.03419	27.5
81.07063	100.0
83.04977	9.9
83.08620	16.0
84.08156	1.7
85.02886	4.7
85.06531	6.4
91.05487	33.7
93.06502	1.9
93.07039	23.0
95.04973	12.1
95.08090	1.7
95.08616	24.1
97.02863	3.2
97.06524	9.3
97.10130	1.8
98.98479	1.9
99.08069	3.8
105.07041	40.1
107.04944	3.7
107.07974	1.7
107.08594	17.7
109.06520	9.6
109.10135	4.5
111.04488	3.4
111.08054	4.2
115.05444	3.1
117.06982	3.0
119.08589	32.1
121.06471	2.6
121.10155	23.7
123.04420	2.4
123.08038	5.0
123.11716	28.1
124.05218	1.4
125.05996	3.0
125.09743	1.7
127.07529	3.1
129.06989	8.0
131.08536	5.4
133.06453	3.2
133.10124	8.1
135.04410	3.0
135.11624	2.7
137.05940	2.3
137.09602	2.8
137.13237	3.4
141.01805	2.3
141.06958	2.5
144.08044	2.3
145.10095	4.9
146.03584	4.6
147.04405	1.7
147.08002	1.6
147.11699	73.7
149.09567	3.4
153.06932	3.7
154.07739	2.2
157.10146	10.1
159.11681	2.7
161.05975	12.1
161.09723	1.9
161.13103	1.7
163.03853	2.2
163.11119	1.9
165.01839	2.8
165.07018	14.8
165.11462	2.5
165.12772	39.9
167.08548	2.1
168.08060	3.1
169.10208	2.1
171.11707	2.4
175.11203	10.5
175.14742	2.0
177.12830	1.7
179.08499	2.0
181.06433	4.9
182.07248	10.7
183.02919	1.9
183.08002	2.6
183.13814	3.1
191.03423	16.8
193.06512	9.1
193.12260	16.2
194.07193	1.6
195.07997	2.2
197.13252	1.4
199.07533	2.5
209.05887	3.2
210.06801	12.3
210.11295	1.5
211.07547	3.1
211.13295	5.7
212.14331	1.9
221.06023	16.8
224.08165	3.4
225.09085	20.1
227.07013	5.2
229.14406	8.1
235.07556	2.7
237.05487	1.6
238.06219	4.5
239.06943	2.3
239.10649	1.7
243.06378	2.7
243.11256	2.1
252.07852	2.6
253.08578	24.6
254.09232	1.6
255.06453	3.8
255.14999	2.0
257.04395	2.6
267.10071	10.9
267.15973	8.3
267.21207	1.6
270.05389	1.9
270.08737	6.9
285.07532	11.5
285.11194	65.5
285.16953	40.8
285.21695	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54531	0.4
53.03946	1.3
55.01867	1.8
55.05512	16.4
57.03438	22.5
57.07068	1.4
59.05011	1.0
61.16343	0.3
62.29358	0.4
65.03945	1.2
67.05506	35.5
69.03429	1.0
69.07069	20.8
70.84533	0.7
70.84845	0.6
71.04995	6.8
73.06582	0.6
75.34104	0.4
76.71883	0.4
77.03948	0.5
78.61075	0.4
79.05492	20.0
81.03421	2.1
81.07056	100.0
82.07396	0.4
83.04979	7.3
83.08622	11.5
85.02911	1.5
85.06538	7.1
91.05481	27.0
92.05854	0.5
92.57165	0.4
93.07046	14.5
95.04962	3.7
95.08607	22.1
97.06533	7.7
97.10182	1.3
98.98518	0.4
99.08094	4.0
101.06013	1.8
103.05441	0.7
103.12127	0.3
105.07033	34.8
107.04976	0.5
107.08591	11.8
109.06519	5.9
109.10167	1.9
111.08079	1.3
113.06018	1.4
115.05465	0.4
115.07575	0.6
117.07002	1.1
119.07700	0.8
119.08585	29.8
121.10144	19.6
123.08080	5.3
123.11707	31.5
125.09684	0.6
127.07577	3.9
128.06259	0.4
129.06978	2.9
131.08611	2.2
133.10136	3.4
137.09615	0.9
137.13242	3.2
140.43877	0.4
141.09073	1.2
142.07803	0.9
145.10118	1.9
147.11690	75.5
148.12021	0.4
149.09657	1.0
157.10103	3.3
159.11699	0.7
161.05962	1.4
165.07039	1.7
165.12752	35.5
167.07054	3.8
167.08360	0.6
175.11176	3.8
182.07263	0.8
183.13791	3.8
193.06488	1.2
193.08569	0.5
193.12241	3.7
210.06721	0.8
211.13268	1.0
221.05939	0.8
225.09131	2.1
229.14334	4.5
238.06416	0.5
253.08549	3.9
267.15897	3.6
285.07904	0.6
285.11301	3.4
285.16965	40.4
285.22070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	1.7
55.05242	0.7
55.05511	14.4
57.03439	20.8
57.07076	0.8
59.04975	0.7
63.00024	1.0
65.03940	1.1
67.05505	36.2
69.03459	0.7
69.07068	19.1
71.03975	0.8
71.04315	1.0
71.05000	6.0
73.06551	0.8
79.05493	20.0
81.03431	3.5
81.07056	100.0
83.04982	7.6
83.08614	10.3
85.02882	1.5
85.06541	7.4
87.04481	1.2
91.04906	1.4
91.05481	27.4
93.07045	15.2
95.04974	5.3
95.07982	0.9
95.08606	19.8
97.06525	8.7
97.10170	1.5
98.98476	1.1
99.08070	3.9
101.06009	1.5
105.07033	41.3
107.04991	0.8
107.08598	11.5
109.06520	6.5
109.10159	2.7
111.04462	0.7
111.08086	1.3
113.06007	2.2
119.07707	0.8
119.08584	30.1
121.10146	23.2
123.08057	4.6
123.11712	31.1
127.07542	3.5
129.07004	2.9
131.08600	2.2
133.06506	1.2
133.10150	4.5
135.11719	0.6
137.09639	0.9
137.13252	3.2
141.09100	1.0
142.07794	1.0
143.08568	1.1
145.10085	2.0
146.03606	1.4
147.11688	77.0
149.09601	1.4
157.10164	5.4
159.11739	0.8
161.06026	3.1
165.06990	3.8
165.12758	34.2
173.13280	0.7
175.11198	4.8
179.08531	0.8
181.06461	1.0
182.07336	1.6
183.13832	4.0
193.06554	3.3
193.12245	5.4
210.06693	2.7
211.13321	2.1
221.06038	3.7
225.09134	7.0
229.14377	5.9
238.06308	1.3
253.08582	13.5
253.59134	0.8
257.04425	0.6
267.15973	4.3
268.13400	1.7
285.04214	0.9
285.07651	1.8
285.11243	8.4
285.16956	40.9
285.22089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03939	1.7
55.01868	2.1
55.05274	1.0
55.05514	13.8
57.03438	19.9
57.07074	1.0
65.03930	1.0
67.05503	33.1
69.07062	17.3
69.28264	6.0
69.62189	0.7
71.04987	6.5
73.06548	1.0
79.05491	18.5
79.10007	1.0
81.07053	100.0
83.04977	7.6
83.08617	8.1
85.02879	0.8
85.06537	7.8
89.85401	0.7
91.05479	24.2
93.07050	13.1
95.04966	2.9
95.08607	19.2
97.06512	8.4
99.08083	3.6
101.06013	1.1
105.07027	36.3
107.08598	11.0
109.06519	5.5
109.10149	1.4
111.08097	1.1
113.05994	1.7
119.08579	30.2
121.10141	19.8
123.08066	3.6
123.11702	32.1
127.07552	3.1
127.91399	1.0
129.07028	2.4
129.51469	0.7
131.08571	1.6
133.10141	2.6
137.09628	1.3
137.13228	3.0
144.39343	0.8
145.10063	1.2
147.11679	73.6
148.11993	0.8
149.09604	1.1
157.10115	3.5
165.12746	41.0
173.33980	0.8
175.11217	3.7
183.13756	3.9
193.12244	2.3
212.14291	1.1
229.14388	5.1
253.08528	1.2
259.10928	0.8
267.15958	4.1
285.16949	39.9
286.17340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01867	4.1
55.05511	16.1
56.96573	0.7
57.03437	18.8
57.07071	1.5
59.05013	1.5
63.00043	1.9
63.31574	0.6
64.11015	0.6
65.03937	1.3
65.69160	0.7
67.05504	33.7
69.03439	1.9
69.07069	19.0
69.07400	0.6
70.06599	1.2
71.04998	5.6
71.49279	0.7
71.49664	0.8
73.06547	0.9
77.03924	1.1
79.05492	21.7
81.03452	1.6
81.07056	95.1
81.15431	0.7
83.04985	9.2
83.08617	8.3
85.02904	1.1
85.06545	6.3
91.05479	34.0
93.07043	19.2
93.07635	0.9
95.04968	7.1
95.08609	20.0
97.06534	12.7
98.98460	1.3
99.04440	1.1
99.08080	3.6
101.06023	0.8
105.07030	44.2
107.04964	1.9
107.08595	14.6
109.06509	8.6
109.10151	4.1
111.04435	1.2
111.08102	2.4
113.06001	3.3
115.05434	1.7
117.07024	1.9
119.08581	35.3
121.06497	1.0
121.10142	21.5
123.04493	0.8
123.08054	5.3
123.11705	30.1
125.05949	0.8
127.07561	3.2
129.07007	7.4
131.08575	6.6
133.06537	1.0
133.10136	9.1
135.08095	0.9
135.11665	1.3
137.05908	0.8
137.09604	1.3
137.13280	2.5
141.07019	1.0
141.09116	1.5
142.07782	2.4
143.00064	0.8
143.83617	0.8
144.79933	0.8
145.06538	0.8
145.10120	3.2
147.11685	100.0
149.09615	2.5
151.11197	0.9
154.35858	0.7
155.08545	1.0
157.08830	1.0
157.10127	17.1
159.11676	1.5
161.06009	2.6
163.11176	0.7
165.07022	4.2
165.12750	45.2
169.10153	0.8
171.11681	1.2
174.99008	1.1
175.11186	16.3
176.14606	0.7
182.07228	1.9
183.11620	0.9
183.13782	3.8
185.13301	0.9
187.14799	0.9
189.00600	1.5
193.06497	2.9
193.12238	9.5
197.13200	0.8
198.09306	0.8
199.14708	1.0
210.06721	3.1
211.07452	0.7
211.13283	3.0
211.15015	0.8
221.05991	3.3
225.09081	8.5
229.14349	56.8
238.06355	1.5
239.07005	0.9
239.11906	0.8
253.08640	12.9
257.04422	3.3
259.12152	1.2
267.15958	3.3
268.13156	0.9
285.07404	4.1
285.11340	9.0
285.16965	41.8
285.21579	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49890	1.4
55.01869	2.8
55.05513	17.2
57.03431	18.9
57.07064	3.4
59.05000	1.9
67.05504	35.8
67.49433	1.5
69.03421	1.7
69.07066	17.3
71.04951	11.0
77.74293	1.6
79.05491	23.6
81.03399	2.2
81.07055	100.0
83.04959	7.7
83.08623	9.8
85.06537	5.4
91.05477	28.1
93.07035	13.1
95.04958	4.0
95.08601	18.6
97.06527	7.1
99.08071	4.2
105.07025	40.5
107.08593	12.3
108.91868	1.6
109.06506	8.3
109.10164	4.2
111.08049	1.6
113.05981	1.8
115.05607	1.9
118.06554	3.6
119.08582	24.9
121.10138	18.9
123.08076	6.5
123.11704	29.1
127.07569	3.8
129.06998	5.0
130.06534	16.3
131.08571	2.6
132.80350	1.7
133.10147	4.6
135.11655	2.1
137.13248	3.4
143.07349	2.8
144.08083	18.0
146.05928	9.4
147.11685	77.5
149.09605	3.9
154.06459	3.7
155.07283	2.7
156.08118	5.5
157.10152	4.0
165.12741	36.4
167.07286	9.8
168.08083	54.5
168.09465	3.3
169.08881	2.3
170.09660	2.4
175.11198	5.4
180.08083	61.6
181.08810	2.6
182.09682	6.2
183.13820	4.0
188.07025	8.0
191.03375	4.0
193.08911	10.5
193.12277	4.7
194.09650	12.6
195.10443	1.8
198.12756	2.3
206.09778	2.1
207.10455	3.8
208.07671	2.1
208.11208	33.0
210.12830	2.0
211.13252	3.2
212.07088	1.9
212.14381	7.7
213.07899	5.7
221.05972	2.0
222.12766	27.1
224.14435	3.3
226.08551	2.7
229.14346	4.9
250.12314	5.2
253.08664	2.4
267.15982	4.6
268.13318	91.7
282.70819	1.8
285.07709	4.2
285.11386	5.2
285.16962	41.0
285.21802	2.2
287.90030	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05725	2.6
53.03939	5.3
55.01870	4.7
55.05510	31.6
57.03437	43.7
63.00033	8.5
66.55939	2.5
67.05175	5.0
67.05500	52.8
68.41660	2.4
69.03429	6.5
69.07068	17.3
69.21317	18.0
69.21740	10.2
70.06596	3.1
71.04989	14.5
71.08563	2.5
79.05492	41.4
81.03420	100.0
81.06588	5.0
81.07053	72.6
83.04990	18.9
83.08625	36.5
85.02903	71.7
85.06544	7.1
87.04446	2.6
91.05484	49.3
93.07044	27.9
95.04970	48.8
95.08610	28.4
97.06529	10.9
97.10160	3.8
98.98451	9.2
103.05456	3.1
105.07037	48.5
107.04937	10.6
107.08590	14.7
108.86351	3.0
109.06486	9.6
109.10149	9.1
111.04442	6.1
111.08096	22.5
113.05987	7.6
115.05381	2.8
117.07015	4.4
119.04941	2.9
119.08597	37.4
120.08123	3.6
121.06512	2.9
121.10141	28.3
123.08076	5.8
123.11684	18.1
123.55947	3.2
129.07011	12.3
131.08545	22.3
133.06453	6.9
133.10168	13.8
135.08034	3.4
135.11816	3.3
135.34254	2.9
137.09616	4.1
137.13228	2.7
142.07732	2.9
143.08546	5.8
145.10106	5.0
147.08012	3.3
147.11685	48.9
148.07500	6.0
149.09630	9.7
151.11221	3.8
157.10173	21.0
159.07935	2.8
159.11696	3.7
161.05928	3.0
165.07005	7.9
165.12752	23.7
169.10097	4.7
173.13290	2.9
175.11180	30.3
182.07294	3.5
193.06494	5.4
193.10468	5.5
193.12242	90.6
210.06775	4.8
211.13306	61.6
221.05994	3.6
222.96898	4.0
225.09158	15.8
238.06250	3.3
239.07185	4.7
253.08620	27.8
267.15820	7.1
285.07712	7.6
285.11301	21.1
285.16855	61.3
285.22159	7.2
285.29807	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40170	0.9
53.03927	1.9
55.01852	2.7
55.05510	15.3
57.03164	1.3
57.03437	24.2
57.07085	1.9
63.00030	2.6
65.03927	1.2
67.05506	34.6
68.05760	1.0
69.03407	1.7
69.06740	1.2
69.07069	16.6
71.04981	5.2
71.07299	0.8
71.08627	8.3
73.06564	1.0
79.05085	1.3
79.05495	20.0
80.79676	0.9
81.03424	5.9
81.07055	100.0
82.06570	1.1
83.04983	7.6
83.08161	0.9
83.08620	11.0
85.02900	4.0
85.06089	0.9
85.06543	8.8
88.11264	6.9
91.05479	27.0
91.92193	0.8
93.06494	1.0
93.07043	13.6
95.04977	3.7
95.08605	19.9
97.06536	8.6
97.10147	1.0
98.98421	1.7
99.08075	3.8
100.07629	1.2
101.05965	1.3
105.07031	37.5
106.30662	0.7
107.04962	0.9
107.07964	1.1
107.08587	11.1
109.06521	5.9
109.10131	2.4
110.05996	0.8
111.04462	1.1
111.08063	2.0
113.05988	2.1
115.07443	1.0
117.06967	1.3
119.08582	29.9
121.06466	0.9
121.09333	1.4
121.10149	20.0
123.04497	0.9
123.08060	4.2
123.11700	28.3
125.00037	1.1
125.09593	1.2
127.07534	3.0
128.33604	0.8
129.06985	2.6
131.08580	3.7
133.10094	2.9
135.11604	1.1
137.09575	1.0
137.13214	2.7
141.09103	1.7
145.10109	2.4
147.08011	1.5
147.11687	72.0
149.09576	1.0
152.14336	1.1
156.13734	1.1
157.10143	5.1
160.06226	0.8
161.05988	2.5
165.06999	3.6
165.12761	33.6
169.10161	0.9
170.15405	23.9
175.11208	4.5
182.07274	0.8
183.13786	3.1
184.13411	1.0
185.13312	1.0
193.06526	1.8
193.12241	6.7
197.16476	1.1
198.14891	29.5
210.06775	2.4
211.13344	4.5
211.15123	0.8
212.16501	1.3
221.05978	2.2
222.96858	1.0
225.09088	5.2
229.11949	0.8
229.14362	5.4
238.06316	0.9
253.08594	9.6
257.08908	0.9
267.15912	3.3
268.22577	0.9
285.07703	2.0
285.11246	7.1
285.16934	39.1
285.22058	1.6
285.25412	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	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.01841	0.6
55.05505	1.4
57.03384	1.4
57.07042	0.3
63.00002	0.5
67.05502	1.3
68.99741	0.4
69.07015	0.9
69.75465	0.2
70.06557	0.4
74.02400	0.5
79.05486	1.9
81.03412	2.5
81.07058	4.2
83.08571	0.7
85.02906	1.6
85.06459	0.3
87.99908	0.3
91.05483	1.5
93.05728	0.4
93.06992	1.2
95.04972	1.3
95.08598	1.5
97.06516	0.3
98.09641	0.3
98.98431	0.4
105.07014	2.3
107.08529	0.9
108.63000	0.3
109.06457	0.5
109.10123	0.5
111.08037	0.6
118.06516	0.4
119.08582	1.5
121.10090	1.2
123.11679	0.8
124.99918	0.3
129.06969	1.1
130.06520	2.3
131.08516	0.7
132.08092	0.3
133.06335	0.2
133.10063	0.7
137.02335	2.0
137.05957	0.5
143.08495	0.6
144.08069	1.9
145.10075	0.4
146.03586	0.8
146.05959	0.8
147.11687	1.8
149.09599	0.5
153.06976	0.7
154.06458	0.5
154.07634	0.4
155.07242	0.8
155.08481	0.4
156.08017	1.1
156.10172	0.8
157.10085	0.8
158.09581	0.4
161.05946	1.5
165.07039	2.9
165.12743	0.9
166.08607	0.4
167.07204	1.2
167.08456	0.3
168.08092	8.3
169.08841	1.4
170.05960	0.4
170.09648	3.1
171.07932	0.3
175.11185	0.9
179.08519	0.6
180.08049	3.1
181.06419	0.8
182.07222	1.2
182.09601	1.7
183.10341	0.4
188.07002	1.1
192.10120	1.4
193.06438	2.4
193.08939	0.6
193.12282	2.2
194.09639	0.7
195.07986	0.5
196.11215	0.5
197.06061	0.3
197.09550	0.4
198.12762	1.4
199.07506	0.4
208.11224	1.8
210.06735	2.0
211.07574	0.6
211.13377	1.5
211.15057	0.3
212.14342	7.4
213.05481	1.5
213.07202	0.3
221.06015	3.2
222.12791	1.5
224.08325	0.6
224.14307	0.5
225.09097	3.8
227.06960	0.8
238.06145	0.6
239.07008	0.6
241.04886	0.8
241.17020	0.5
242.05730	40.4
243.06168	0.6
250.12207	0.5
252.07790	0.4
253.04823	0.3
253.05722	0.3
253.08589	4.4
254.09198	0.4
255.06543	0.9
256.94757	0.3
267.10144	1.5
268.13290	5.3
270.05228	57.1
271.05658	1.0
285.07590	100.0
285.11133	9.8
285.15829	3.9
285.21597	1.3
286.07971	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	283.2633
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03934	2.7
55.01867	3.8
55.05511	32.6
57.03428	5.3
57.07076	15.7
57.83679	1.1
65.03926	2.0
67.05503	41.7
69.03423	3.4
69.07069	50.3
70.02415	2.7
70.02810	2.9
71.04985	8.8
71.08639	6.9
73.90065	1.4
75.84092	1.3
76.90527	1.2
79.05499	19.4
81.03437	1.8
81.07058	100.0
83.04979	4.3
83.08623	30.1
84.08146	1.7
85.06535	5.1
85.10179	3.3
89.06022	3.9
91.05479	8.4
93.06493	1.9
93.07049	22.7
95.04950	3.7
95.08609	74.5
97.02901	2.0
97.06519	7.0
97.10171	19.9
98.21469	1.7
99.08082	2.7
99.38312	1.1
103.05482	1.4
105.07024	5.4
107.04948	4.8
107.08593	20.7
109.02874	1.6
109.06476	2.2
109.10159	45.6
111.04449	1.5
111.08070	6.3
111.11729	11.2
117.06996	2.5
119.08572	4.9
121.02875	10.8
121.06521	2.1
121.10144	18.3
123.11707	21.2
125.09592	1.4
125.13239	1.8
129.07013	1.7
131.08597	4.6
133.10114	2.4
135.08034	1.4
135.11688	18.9
137.13248	9.1
141.01799	1.6
145.10133	4.7
149.09691	1.9
149.13264	11.1
151.03934	1.2
151.07535	1.3
151.14792	4.5
153.12785	1.3
155.08522	1.7
157.10138	1.7
163.11182	4.9
163.14851	6.0
165.01837	7.4
165.16345	3.3
168.84761	1.2
173.09607	1.8
177.16319	3.5
181.12251	2.0
183.02882	3.2
191.10641	2.9
191.17859	2.7
192.28955	1.1
195.08090	2.2
195.11760	2.0
209.11678	2.1
209.13405	1.4
223.07523	2.9
227.12766	2.8
240.07869	3.3
247.24188	7.7
255.10144	1.4
265.25287	4.1
283.06021	22.8
283.09698	10.9
283.15329	5.1
283.20370	2.5
283.26401	9.3
292.43036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	NSC19994
Peak:m/z	Relative Intensity
52.30055	0.2
55.01860	0.4
57.03436	0.4
67.45798	0.3
69.03412	0.3
70.06586	0.6
71.27613	0.4
85.02901	0.6
97.02884	0.4
98.97520	0.3
109.05122	0.3
110.03523	3.3
112.55458	0.2
123.72267	0.3
128.04550	0.5
133.05037	0.3
135.03026	7.4
136.06181	0.5
152.05675	100.0
153.04066	4.7
284.10242	0.3
309.23700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.99245	0.7
55.01871	7.1
55.05271	1.1
55.05510	13.9
57.03190	1.0
57.03436	9.9
57.07063	1.4
63.18622	0.9
65.03934	1.6
67.05505	18.2
68.99776	1.4
69.03416	2.0
69.07068	7.4
69.27205	7.5
71.04996	3.7
73.02905	1.7
78.85687	0.8
79.05493	28.9
79.29348	0.8
81.03410	3.2
81.07053	21.1
82.06557	2.0
83.04977	5.5
83.08617	10.5
84.08156	1.1
85.06537	1.1
89.06024	1.7
91.05473	12.3
93.07041	38.9
95.04972	6.9
95.08607	35.6
95.09075	0.7
97.02892	4.8
97.06534	3.8
98.21550	1.5
98.97575	1.0
99.04449	5.3
100.11230	2.3
103.05459	1.2
105.07036	8.9
107.04949	11.0
107.08586	27.9
109.02884	0.9
109.06513	2.5
109.10161	3.8
110.06018	1.6
110.07170	1.9
111.04430	2.4
111.08100	1.0
115.05421	1.1
117.07019	11.8
119.04929	2.4
119.08576	9.2
121.02881	7.7
121.06493	7.1
121.09333	1.1
121.10143	13.8
123.00794	1.4
125.06006	3.7
125.09623	0.9
129.07103	1.0
130.07799	2.9
131.04901	0.9
131.08519	1.1
133.10136	2.4
135.08080	2.9
135.11688	47.8
136.07635	0.9
137.02345	2.0
139.07524	2.0
141.01804	4.0
141.11560	0.8
141.61638	1.2
143.08536	1.0
145.06442	1.0
145.10123	27.0
146.10455	0.8
153.12592	1.2
163.11182	70.5
165.01831	35.7
165.03249	1.0
173.09625	2.5
181.12233	13.8
182.15413	1.1
183.02884	8.3
205.16609	1.0
209.11674	0.9
210.14923	1.8
211.15141	0.9
227.12779	100.0
228.13187	0.9
241.04901	0.9
250.17484	0.8
255.06549	1.7
283.06024	70.6
283.09634	3.1
283.15369	19.4
284.06439	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	283.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30128	0.7
65.00045	0.8
70.06577	1.9
71.49152	0.6
84.08148	1.7
87.04459	1.7
89.06035	100.0
107.07068	1.6
118.68460	0.6
125.25769	0.7
133.08609	36.4
136.06212	0.7
145.31905	0.7
153.07037	0.8
165.01866	0.9
177.11256	5.9
181.06543	1.1
195.12228	0.9
204.65982	0.9
209.09785	0.9
237.05534	2.0
239.15048	1.9
255.06711	1.6
283.05893	6.3
283.17599	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04296	0.6
69.19020	6.2
69.19414	1.2
70.06598	0.7
73.06545	1.0
79.94196	0.7
87.04485	2.1
89.06036	100.0
92.99421	0.6
98.20725	1.1
107.07114	1.5
131.42838	0.7
133.08611	37.3
151.09630	1.1
177.11197	6.5
195.12325	1.9
239.14909	1.9
261.91245	0.6
283.06052	2.1
283.17938	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18535	1.0
53.03928	3.1
53.91537	0.9
55.01875	5.5
55.05508	12.9
57.03202	1.1
57.03436	11.7
57.07055	1.0
65.03934	1.5
67.05505	21.8
67.80828	0.9
69.03413	1.9
69.07062	8.2
69.29885	8.6
71.04974	3.9
75.95248	1.0
76.17588	0.9
79.05489	27.5
81.03410	2.9
81.06602	1.7
81.07054	24.2
83.04979	5.0
83.08615	9.5
85.10184	1.3
85.54752	1.0
88.24734	1.0
89.06010	2.3
89.59456	0.9
91.05474	10.7
93.07044	43.3
95.04973	10.0
95.08605	44.6
97.02905	5.2
97.06525	6.1
97.07148	1.2
98.20791	2.1
98.97546	1.4
99.04442	5.4
103.05438	1.4
105.07030	10.0
107.04957	11.0
107.07879	1.8
107.08592	31.5
109.06484	3.0
109.10142	2.5
111.04452	1.9
111.08083	1.3
117.07019	11.9
119.08573	12.2
121.06521	5.9
121.10145	14.4
125.05987	3.1
130.07759	3.3
131.08539	1.6
133.10088	3.8
135.08081	2.1
135.11690	53.0
139.07555	2.1
143.08522	1.9
145.10123	29.8
149.09534	1.3
153.12767	1.5
163.11179	71.1
173.09590	1.7
173.45654	1.0
181.12234	17.5
191.49664	1.2
209.11713	1.2
227.12776	100.0
228.13086	1.8
283.15308	24.3
283.19940	1.1
283.24142	3.5
291.09723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01868	4.7
55.05514	16.2
57.03434	9.7
57.07076	7.5
67.05506	20.4
69.07067	12.7
71.04980	3.5
71.08609	2.4
72.04514	3.1
72.08143	6.8
73.02895	1.8
73.08484	3.1
76.81833	1.3
79.05076	1.1
79.05493	29.2
81.03414	3.8
81.07055	28.4
83.04962	6.2
83.08630	10.0
89.06036	11.1
91.05481	12.2
93.06493	2.9
93.07046	44.3
95.04965	6.6
95.08608	43.0
97.02888	6.8
97.06522	7.0
97.10125	3.1
99.04457	5.3
105.07045	11.6
107.04945	9.8
107.07890	2.0
107.08598	32.3
109.06517	1.9
109.10139	4.7
111.08096	2.6
117.07036	12.4
119.08591	14.6
121.06508	6.5
121.10151	19.0
125.06001	3.2
125.27332	1.5
130.07747	2.6
131.08585	3.1
133.08603	3.6
133.10101	4.7
134.09610	3.1
135.08018	2.8
135.10080	2.4
135.11691	53.3
139.07532	2.9
145.10124	35.4
145.11180	3.2
155.08675	2.2
159.11726	2.7
163.11185	74.8
171.11661	1.9
181.12221	16.4
187.14818	1.8
209.11768	2.2
213.16508	2.3
227.12782	100.0
266.25687	2.0
283.15378	19.1
283.22028	19.7
283.28311	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01880	4.6
55.05513	13.8
57.03438	14.3
57.07065	2.1
65.03944	1.2
67.05503	22.6
69.03428	1.2
69.07063	7.4
69.77702	4.6
70.09202	0.7
71.04979	3.4
71.12896	0.7
73.02903	2.4
79.05494	33.0
81.03426	4.1
81.07060	27.9
83.01335	0.9
83.04979	6.0
83.08620	8.8
85.06541	1.1
89.06032	2.2
91.05492	11.5
93.07046	44.5
95.04977	9.2
95.08609	45.0
97.02878	5.8
97.06551	4.9
97.10166	1.5
99.04449	5.3
103.05498	1.1
105.04542	1.1
105.07040	10.7
107.04955	13.8
107.08593	30.8
107.09316	1.7
109.06534	2.4
109.10159	3.8
111.04462	2.6
111.08083	1.1
115.05462	0.9
117.07018	13.1
119.07814	1.3
119.08588	13.4
121.06512	7.3
121.10152	16.8
123.08101	1.0
124.15295	1.0
125.05975	2.8
129.06998	1.5
130.07791	2.4
131.08551	1.9
133.10127	3.1
135.08064	2.3
135.11693	55.2
139.07539	1.6
143.08601	1.4
145.10124	34.1
153.12677	1.1
155.08589	1.1
157.10059	1.0
159.11665	1.2
163.11182	75.3
164.11528	1.1
173.09608	2.2
181.12271	13.8
191.10712	1.5
209.11775	2.2
227.12782	100.0
228.13126	1.7
255.15871	2.3
273.00327	0.9
281.07898	0.9
283.15378	24.9
283.20422	1.7
283.24060	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38308	0.6
53.03955	2.8
55.01877	4.6
55.05512	12.3
57.03437	10.7
57.07065	2.1
62.37047	0.8
67.05508	21.7
69.03436	1.6
69.07069	10.1
71.04995	2.7
73.02906	1.7
79.05499	33.0
81.02999	0.7
81.03423	4.1
81.07059	23.6
83.01360	1.2
83.04987	5.7
83.08623	9.5
85.02947	0.8
85.06533	1.1
88.69104	0.6
89.06017	1.8
91.04972	1.3
91.05484	12.5
93.07050	44.0
95.04964	8.0
95.08611	40.9
97.02905	4.2
97.06535	5.1
98.07095	0.8
99.04459	3.8
100.97572	0.7
101.53245	0.8
103.05476	0.9
105.07031	9.4
107.04963	12.7
107.08603	31.8
109.06529	2.7
109.10151	3.0
111.04459	2.4
111.08073	1.8
114.96166	1.0
117.07030	13.1
119.08592	11.2
121.06520	7.2
121.10145	15.5
123.08080	0.8
125.06021	3.7
129.07021	1.5
130.07793	3.2
131.08578	3.1
133.08635	1.1
133.10126	3.3
135.08063	3.1
135.11697	54.6
139.07567	2.4
143.08571	0.8
145.06497	1.1
145.10129	30.4
146.10472	0.8
147.08067	1.0
149.09552	1.2
153.12715	1.4
157.10062	0.9
159.11646	1.4
163.11188	70.5
173.09657	1.8
181.12233	15.4
191.10666	1.7
207.23674	0.7
209.11768	3.1
227.12791	100.0
228.13116	1.6
268.87805	0.8
283.06201	1.3
283.12439	1.3
283.15411	24.7
283.20578	1.9
283.23923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
53.55691	0.6
55.01867	4.0
55.05510	10.7
57.03438	10.6
57.07063	2.9
64.38341	0.8
65.03933	1.3
67.05509	18.4
69.03433	1.2
69.07067	7.9
71.04978	2.9
73.02897	0.9
79.05493	27.4
81.03410	3.1
81.06599	1.4
81.07056	21.9
83.04990	3.7
83.08618	8.0
89.06044	3.5
91.05476	11.0
93.07047	37.2
95.04977	8.2
95.08605	36.8
97.02892	5.6
97.06519	4.6
97.74615	0.8
99.04436	5.3
105.07030	7.7
107.04949	11.1
107.08595	27.7
109.06522	1.5
109.10177	2.3
111.04422	2.9
111.08092	1.0
113.05989	0.9
115.68142	0.7
117.07005	10.3
119.08583	10.8
121.06506	6.5
121.10152	14.1
125.06040	4.4
129.07008	1.2
129.60905	0.8
130.07782	2.5
131.04988	0.8
131.08563	1.4
133.10135	3.2
135.08034	2.4
135.11694	50.8
139.07532	1.4
145.10124	29.1
147.08066	0.8
149.09590	0.7
153.12721	1.0
155.08594	1.0
163.11182	64.9
173.09630	1.9
175.62442	0.7
181.12251	13.3
181.18375	0.8
191.10648	1.7
209.11761	2.8
227.12782	100.0
228.13179	1.0
229.08745	0.8
255.15919	1.5
283.15390	23.0
283.20407	1.7
283.24042	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64039	1.0
53.03931	2.8
55.01867	4.6
55.05515	10.4
57.03438	10.3
59.22215	1.0
65.55836	1.1
67.05502	19.3
69.03422	1.7
69.07056	7.4
69.55850	7.7
71.04975	1.8
74.14108	1.1
79.05493	29.9
79.65991	1.0
81.03422	2.8
81.07056	21.6
83.04969	5.7
83.08620	10.2
89.06038	1.4
91.05478	11.9
93.07043	41.8
95.04963	7.3
95.08607	41.5
97.02902	4.2
97.06517	5.7
99.04451	3.7
102.53101	1.1
105.04524	1.3
105.07027	10.0
107.04958	12.4
107.08595	29.7
109.06539	2.4
109.10169	3.2
111.04433	1.4
111.08112	1.6
113.93286	1.0
117.07016	12.6
119.08596	10.7
121.06530	7.1
121.10152	14.2
125.05991	3.5
129.07045	2.7
130.07747	2.2
131.08553	1.6
133.06496	2.7
133.10112	5.7
135.08064	1.6
135.11690	50.9
139.07561	2.2
143.08572	2.5
145.06528	1.7
145.10117	28.3
163.11180	65.5
173.09633	3.4
179.54625	1.1
181.12199	15.4
191.10670	1.7
209.11749	3.5
225.16147	1.3
227.12776	100.0
228.13037	1.6
283.05878	1.9
283.15320	21.1
283.20197	1.8
283.24136	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	283.0588
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
51.02370	0.1
53.03943	0.1
55.01870	3.7
59.04987	0.3
61.79164	0.1
65.03938	0.5
67.01836	0.1
67.05499	0.1
68.99780	1.7
69.00133	0.1
69.03424	0.5
69.61163	0.4
79.01854	1.2
79.05463	0.2
81.03409	1.2
81.07071	0.1
84.04459	0.1
91.05470	0.8
92.99774	0.4
93.07033	0.2
95.04980	0.1
96.02092	0.1
97.02887	0.9
99.00811	0.8
107.04942	0.2
107.08575	0.1
107.26102	0.1
108.82394	0.1
109.02853	0.2
111.04426	0.2
113.02408	0.1
119.04935	3.1
120.08066	0.1
121.02863	8.4
121.03899	0.3
121.10075	0.1
123.00780	2.8
131.08585	0.1
135.11671	0.1
137.02336	2.5
141.01819	6.6
145.02838	0.1
145.10136	0.2
147.00752	0.2
155.03394	0.2
157.06448	0.1
163.03954	0.2
165.01828	51.5
166.02173	0.2
173.06061	0.1
173.09558	0.2
183.02884	12.6
184.03209	0.1
186.83984	0.1
187.03952	0.2
191.10652	0.2
213.05502	0.1
227.06790	0.1
237.76350	0.1
255.06480	0.7
283.05991	100.0
284.06473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.2
53.03946	0.2
55.01873	3.7
59.04984	0.3
65.03931	0.3
67.05495	0.2
68.99449	0.1
68.99786	1.6
69.00137	0.1
69.03432	0.6
69.41734	0.1
69.58336	0.6
74.25511	0.1
79.01857	1.0
79.05467	0.1
81.03423	1.3
81.07043	0.2
89.06046	0.1
91.05483	0.8
92.99751	0.6
93.07012	0.1
95.05028	0.1
95.72894	0.1
97.02899	0.7
97.06523	0.1
99.00825	0.8
105.07030	0.1
109.02887	0.4
111.04436	0.1
119.04941	3.6
119.08580	0.1
120.08109	0.1
121.02871	8.6
121.03889	0.3
123.00790	3.1
129.07014	0.1
131.04953	0.2
131.08601	0.1
136.41063	0.1
137.01268	0.1
137.02338	2.7
141.01831	7.1
147.00792	0.1
155.03352	0.1
157.06558	0.1
163.03894	0.2
165.01837	51.8
166.02158	0.2
176.20061	0.1
181.06622	0.1
183.02892	12.6
187.03935	0.3
213.05540	0.1
227.06906	0.1
241.05057	0.1
255.06531	0.6
283.06003	100.0
284.06448	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	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
56.96568	2.6
57.03432	5.2
61.02920	9.9
65.61533	2.1
67.05489	3.0
69.03430	20.4
69.59211	10.5
69.59620	3.4
70.06596	10.6
71.04976	2.8
72.08130	5.2
73.02911	5.6
75.12897	2.2
81.03405	8.4
84.04502	2.5
84.08146	7.1
85.02905	100.0
85.06548	17.3
86.09696	2.6
91.03935	5.8
94.96535	2.2
97.02904	19.5
98.06028	3.0
99.04449	3.8
107.04936	4.4
109.02870	7.8
112.07580	3.1
112.83488	2.5
113.72408	2.1
120.08125	3.8
121.06505	2.2
121.08422	7.3
123.04407	5.2
124.04774	3.7
125.07143	2.1
127.03916	23.8
135.04396	5.2
136.04837	2.0
136.06180	6.9
145.04971	45.8
150.07735	20.0
153.87967	2.2
163.06049	14.5
165.06975	3.8
166.07355	2.5
193.03247	2.5
195.11288	3.4
229.10713	4.8
236.10773	6.3
268.97592	2.5
281.98218	5.4
282.22095	5.7
300.06165	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.6
53.03944	10.9
55.01868	5.4
55.05510	38.1
57.03161	1.6
57.03442	29.7
57.07069	3.8
63.03912	1.1
65.03935	3.7
67.05505	96.7
69.03416	4.5
69.07073	18.8
70.06560	1.4
70.78537	3.6
71.04984	4.0
71.08632	1.3
73.06552	4.1
79.05493	100.0
81.03432	13.4
81.07057	70.5
83.04986	33.0
83.08620	10.7
85.06538	4.0
91.05482	68.7
93.07047	73.8
95.04969	27.0
95.08608	45.7
97.02908	2.4
97.06534	4.8
97.10158	7.5
101.06058	1.3
103.05473	1.7
105.04540	4.1
105.07032	54.1
107.04967	6.8
107.08603	23.8
109.06509	9.8
109.10153	11.9
111.08094	2.3
111.11756	1.7
115.05482	1.6
117.07006	11.9
119.08587	28.4
119.09392	2.7
121.06506	3.0
121.10134	7.0
123.08092	9.7
123.11696	3.8
127.07533	1.4
128.06244	3.0
129.07019	21.6
129.32635	1.3
131.08591	4.9
133.06496	2.1
133.10130	17.2
135.11702	3.6
137.05832	1.4
137.13231	1.7
141.06868	1.4
143.08568	11.3
145.10135	11.7
147.08086	2.3
147.10513	2.4
147.11693	44.2
151.02740	1.6
156.09375	1.3
159.11688	1.9
161.09631	7.5
161.13249	17.4
164.08232	1.4
171.11694	28.3
179.14404	2.3
189.12759	14.0
189.36404	1.4
207.13808	15.1
211.47952	1.3
216.06767	1.3
259.07782	1.4
266.99930	1.8
281.14316	3.2
281.17438	35.7
281.22079	1.7
283.02982	1.5
298.96457	1.4
299.06177	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02393	0.9
53.03947	6.4
55.01875	5.2
55.05512	35.4
55.74623	0.7
57.03436	39.5
57.07086	1.5
59.04980	1.2
65.03941	6.2
67.05503	94.6
69.03437	2.4
69.07069	19.8
71.04980	3.0
73.06548	2.3
77.03926	1.8
79.05492	100.0
81.03419	12.6
81.07055	61.8
81.11349	0.6
83.04979	34.8
83.08617	8.3
85.02897	1.6
85.06545	3.6
87.04439	0.7
88.23414	0.6
89.10507	0.6
91.05478	74.2
93.07041	76.2
94.73470	0.8
95.04967	26.4
95.08607	41.1
97.02903	1.6
97.06525	7.3
97.10176	4.7
99.08105	1.1
102.69943	0.7
103.05476	2.5
105.04532	3.3
105.07032	50.4
107.04958	5.5
107.08598	18.1
109.02903	1.0
109.06514	9.9
109.10152	7.9
111.08085	3.1
114.09212	1.8
115.05463	2.2
117.07018	10.4
119.04951	1.0
119.08581	31.2
121.06519	3.5
121.10131	6.7
123.08046	9.7
123.08839	0.8
123.11721	1.5
125.09671	0.7
127.07544	2.5
128.06215	3.3
129.07004	21.1
130.07765	1.5
131.08568	5.0
133.06451	1.7
133.10135	14.2
135.08078	1.7
135.11699	3.3
137.09604	1.3
141.06992	1.1
141.09100	0.9
143.08557	9.5
145.10130	12.7
147.08049	3.2
147.11687	44.1
151.07541	0.9
151.11198	0.7
155.05965	0.8
155.35617	0.6
156.09326	1.0
159.11699	0.9
161.09645	5.3
161.13249	16.4
163.11163	3.3
165.09155	1.2
171.07993	0.6
171.11682	29.4
189.12727	9.7
207.13786	11.4
281.17484	32.5
299.06213	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.6
55.01874	3.2
55.05276	2.8
55.05512	34.4
57.03438	29.5
57.07077	4.1
65.03930	6.8
67.05504	91.8
69.03410	4.6
69.07067	21.9
71.04977	6.0
71.49084	2.2
79.05492	100.0
81.03423	11.5
81.07054	74.4
83.04500	2.2
83.04979	35.5
83.08607	11.2
85.06527	4.8
91.05479	66.8
93.07042	60.5
93.07632	2.3
95.04963	25.9
95.07987	2.8
95.08601	49.0
96.37277	1.8
97.02879	2.6
97.06528	9.3
97.10179	6.1
99.08060	3.9
103.05514	2.1
105.04473	3.4
105.07034	54.8
107.04946	5.9
107.08585	21.9
109.02879	4.9
109.06521	10.7
109.10126	14.9
111.08128	2.4
113.73576	1.8
117.07018	12.8
119.08572	32.4
121.06495	4.0
121.10136	8.7
123.08057	9.5
123.11670	3.3
127.07548	2.2
129.07030	17.3
131.08546	5.6
133.06429	2.3
133.10150	17.6
135.11678	4.9
137.09525	3.4
143.08525	13.5
145.10124	14.3
147.08009	4.4
147.11690	45.3
149.02325	6.5
150.02701	2.6
151.07545	2.9
161.05977	2.4
161.09601	10.3
161.13261	15.2
170.15334	4.2
171.11678	28.7
179.10670	2.6
189.12715	8.1
198.14880	4.3
207.13782	12.7
218.20439	1.8
261.11591	2.9
263.20190	2.0
263.23529	2.3
266.99976	2.6
281.10916	3.3
281.13693	14.1
281.17465	32.5
299.06094	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03952	10.4
55.01865	4.7
55.05512	30.0
57.03438	37.4
57.07062	3.0
65.03933	5.4
67.05507	81.4
69.03434	3.4
69.07075	16.8
70.44511	2.1
70.44838	4.0
71.04988	3.7
73.06558	2.6
76.29498	1.5
77.03918	3.8
77.88388	1.6
79.05495	100.0
81.03418	12.9
81.07059	66.1
83.04980	29.0
83.08625	9.2
84.01928	1.4
85.06527	3.6
87.04436	1.8
88.53591	1.8
91.05481	60.7
93.07044	75.3
95.04978	25.6
95.08607	39.6
97.02903	1.7
97.06522	6.7
97.10152	5.2
103.00631	1.4
103.05459	2.4
105.04519	4.3
105.07037	50.6
107.04935	7.7
107.08595	22.9
109.06527	10.8
109.10159	8.6
111.08079	2.6
111.81136	1.6
115.05434	1.8
117.07021	9.2
119.08584	34.3
121.06541	4.3
121.10108	5.3
123.08062	10.2
123.11644	1.7
127.07606	2.2
128.06244	4.1
129.06996	17.8
131.08545	4.4
133.10112	15.3
135.08008	1.5
135.11658	2.3
142.16057	1.5
143.08542	10.9
145.10132	11.1
147.08018	4.4
147.11693	44.7
159.04341	1.5
159.11716	2.5
161.09618	6.0
161.13263	16.0
163.11218	2.5
171.11693	30.3
181.56897	1.5
189.12750	12.9
198.23241	1.6
207.13795	11.2
230.96664	1.5
281.12204	3.1
281.17435	36.5
283.02814	2.2
299.06082	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03946	7.7
55.01862	4.8
55.05278	2.2
55.05515	32.2
57.03164	1.7
57.03441	28.2
57.07066	4.7
57.27606	1.4
59.81531	1.5
65.03923	4.9
65.74368	1.6
67.05506	92.1
67.48483	1.4
69.03423	3.3
69.07069	17.4
71.04974	4.0
71.08633	1.6
73.06557	2.3
77.03898	1.6
79.05495	100.0
81.03432	12.4
81.07057	66.3
83.04984	29.9
83.08642	7.9
85.06542	3.4
86.09667	1.3
91.05481	72.8
93.07048	81.1
95.04966	27.8
95.08611	42.9
97.06528	7.9
97.10157	6.1
98.20732	3.1
99.08031	1.5
103.05473	1.8
105.04514	4.3
105.07034	49.4
107.04936	6.5
107.08595	25.7
109.02861	1.9
109.06532	9.9
109.10165	6.8
111.04451	1.7
117.07025	9.2
119.08590	31.2
121.06505	3.9
121.10153	5.8
123.08088	9.1
128.06215	2.8
129.06992	18.9
129.15215	1.7
130.07777	1.5
131.08563	2.7
133.10138	16.5
135.08130	2.2
135.11687	4.3
137.09621	2.1
141.09019	2.2
143.08543	7.1
145.10139	13.0
147.08051	4.0
147.11688	38.2
161.09596	6.1
161.13242	17.8
169.10147	2.0
171.11687	29.3
189.12822	8.2
207.13786	13.0
210.57529	1.5
281.10928	1.6
281.17459	30.2
281.22314	3.1
281.26596	8.1
284.23297	1.4
299.06177	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.64209	1.3
51.02371	2.3
53.03944	9.6
55.01871	5.7
55.05515	34.3
57.03438	33.6
57.07071	2.3
60.40869	1.3
64.64824	1.5
65.03944	4.2
67.05508	96.6
69.03421	1.5
69.07069	19.1
71.04995	3.2
73.06540	1.6
79.05495	100.0
80.83662	1.5
81.03419	13.5
81.07061	66.5
83.04978	32.0
83.08622	11.1
85.06537	4.4
91.05483	69.9
93.07047	72.4
95.04980	22.7
95.08614	40.7
97.06530	6.4
97.10162	5.9
99.08103	1.6
102.49883	1.5
103.05472	2.9
105.04516	3.3
105.07034	49.0
107.04922	6.9
107.08611	19.3
109.06522	9.5
109.10175	7.3
111.08004	1.7
115.05462	2.8
117.07011	8.5
119.08581	30.8
121.06501	2.4
121.10164	6.6
123.08074	9.4
127.07578	1.8
128.06209	3.8
129.07005	18.2
130.07838	1.5
131.08600	2.0
133.10121	15.7
135.11671	3.2
141.09030	1.9
143.08568	10.7
145.10115	13.1
147.08057	3.2
147.11687	39.9
159.11647	1.8
161.09636	3.7
161.13272	14.1
163.11139	1.6
169.10123	1.7
171.11674	28.6
189.12756	10.0
199.05518	1.6
207.13786	11.3
281.17624	28.6
281.22311	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.16796	1.4
53.03952	10.0
55.01858	5.5
55.05272	2.8
55.05514	34.9
55.40422	1.6
57.03438	30.3
57.07065	1.9
60.76542	1.7
61.96206	1.6
65.03929	5.2
67.05507	100.0
68.42944	1.4
69.03432	3.0
69.07061	17.7
71.04990	4.0
73.76467	1.8
79.05495	99.4
81.03418	11.2
81.07057	70.4
83.04980	36.6
83.08627	13.3
85.06523	5.0
91.05482	71.8
93.07045	77.8
95.04971	25.9
95.08608	43.3
97.06516	5.5
97.10147	6.3
98.21614	2.8
100.52394	1.5
101.06026	1.6
101.41811	1.6
103.05476	1.6
105.04527	3.0
105.07035	52.9
107.04975	7.8
107.08595	18.0
109.06518	8.9
109.10148	8.8
111.08070	2.8
115.05437	2.4
117.07036	11.8
119.08581	30.6
121.06496	3.1
121.10175	5.3
123.08055	7.2
125.09665	1.7
128.06180	4.3
129.07022	20.9
131.08551	4.0
133.10136	15.5
135.11699	1.8
143.08574	12.0
145.10146	13.3
147.08018	4.4
147.11693	38.0
161.09587	6.6
161.13257	14.5
163.11241	3.8
171.11694	32.8
189.12729	11.0
207.13820	10.4
281.17484	34.9
281.22400	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.6
55.01871	4.3
55.05512	40.4
57.03440	31.1
57.07067	3.7
65.03934	4.0
67.05505	86.3
69.03432	2.6
69.07068	18.9
71.04995	4.5
71.08643	2.7
71.50536	2.4
73.06573	2.8
76.29642	1.5
77.03951	2.5
79.05496	100.0
81.03422	18.3
81.07061	68.5
82.07404	1.6
83.04983	31.5
83.08611	11.2
85.06545	3.2
87.04466	1.6
91.05485	73.1
93.07046	73.3
95.04977	29.3
95.08605	40.6
97.06544	6.4
97.10165	5.6
99.08113	2.2
103.05429	1.9
105.04517	2.9
105.07033	49.7
107.04964	7.4
107.08589	25.4
109.06518	9.4
109.10152	10.6
110.88210	1.8
111.08086	2.3
117.07044	9.4
119.08589	33.1
121.06504	4.8
121.10177	5.4
123.08084	9.2
128.06229	3.2
129.07005	20.1
130.07837	1.7
131.08640	3.0
133.10141	15.9
134.09654	12.8
135.11685	3.8
143.08600	10.7
145.10132	12.3
147.08075	3.3
147.11690	40.4
149.02420	2.1
161.09605	4.7
161.13268	17.6
171.11707	28.7
189.12730	12.8
207.13821	12.5
210.12798	5.6
281.17502	37.2
281.22614	5.6
282.22183	21.9
299.06076	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.00415	1.7
53.03948	9.7
55.01861	6.3
55.05515	34.0
57.03193	2.5
57.03436	27.7
57.07090	4.6
65.03931	3.9
67.05509	84.1
69.03426	2.8
69.07065	17.1
69.16091	15.0
69.16512	5.2
71.04995	2.3
73.78000	1.6
76.01698	1.7
79.05496	100.0
81.03438	14.2
81.07060	61.0
83.04984	30.8
83.08646	10.1
85.06544	3.7
91.05487	68.6
93.07048	71.3
95.04969	24.4
95.08063	3.4
95.08611	40.2
97.06522	7.5
97.10194	3.9
98.21150	9.9
105.04501	3.3
105.07036	53.3
107.04953	8.8
107.08592	20.7
109.06507	7.3
109.10173	10.5
117.07011	11.9
119.08595	26.4
121.06564	2.2
121.10111	4.0
123.08053	7.7
127.07519	2.0
128.06229	4.5
129.07014	19.1
131.08556	4.5
133.10132	14.1
135.11697	3.8
140.58696	2.3
141.09155	1.9
143.08575	11.3
145.10146	11.3
147.07970	2.7
147.11693	37.6
156.09358	2.2
159.11656	2.8
160.33342	1.7
161.09627	7.9
161.13245	15.2
171.11694	29.9
189.12776	9.0
197.13217	1.9
207.13795	11.8
231.72482	1.8
281.17422	28.5
281.22256	8.7
299.06210	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	281.1132
Annotation	L-Aspartyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.04247	0.7
57.34933	0.6
70.02947	7.4
70.06573	3.9
71.49098	1.1
72.08136	2.1
73.04742	1.1
74.06077	1.7
79.05492	1.6
81.04539	4.9
82.05314	2.9
84.04496	1.6
84.08138	1.6
86.09703	3.0
88.03989	26.9
91.05476	12.4
93.07043	1.8
98.02464	1.2
103.05466	9.8
107.04948	2.4
109.06377	0.8
110.07153	0.7
116.07112	1.1
119.03529	1.8
120.06650	2.4
120.08104	100.0
121.08474	0.8
122.07149	7.0
123.07926	27.6
129.06950	1.1
129.10178	1.0
130.06519	8.8
131.04909	4.7
136.06181	34.7
137.04552	0.8
144.08107	2.5
147.09219	0.8
149.05986	2.3
154.06540	0.9
157.06488	1.2
162.04121	18.7
162.05428	1.3
165.07751	3.5
165.08923	0.7
166.08636	35.9
172.07565	6.6
175.08646	12.6
182.06020	5.2
189.10170	0.9
190.08667	2.2
200.07065	21.7
207.08122	0.9
211.52112	0.8
217.09747	2.9
218.08157	1.4
221.09184	6.0
227.11824	2.2
228.06476	0.9
235.10767	20.6
245.09212	1.9
245.12952	2.0
246.07599	13.0
263.10309	3.6
263.13782	1.6
266.99969	1.3
281.10724	24.7
281.14935	3.6
299.06174	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	281.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	2.0
55.01857	0.4
55.04252	2.6
56.05015	0.5
70.00697	0.7
70.01105	1.2
70.06579	1.1
73.50006	0.3
79.64059	0.4
81.04538	14.0
82.04861	0.7
82.05318	9.6
82.13176	0.4
84.04503	0.5
84.08105	0.7
96.36290	0.5
97.07634	0.4
104.05364	0.7
108.05563	0.8
110.07124	0.4
111.40863	0.3
122.07151	19.9
123.07930	100.0
136.06190	2.3
160.04262	1.8
165.07712	6.1
188.42464	0.4
281.10666	67.3
282.10477	0.5
283.02765	0.4
299.06198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1132
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
53.03938	0.4
55.05511	3.4
57.03403	0.3
60.04515	0.4
67.05522	0.4
69.03419	0.4
69.07063	0.3
69.80540	1.5
70.06588	1.8
72.08155	22.5
73.04744	0.5
74.02428	0.4
79.05462	0.3
81.04540	0.5
81.07034	0.4
82.05295	0.3
84.04498	2.0
84.08150	1.7
85.02899	0.6
85.06508	0.3
86.09700	0.4
88.03980	0.7
91.05397	1.5
93.07057	2.1
94.06542	0.3
95.04984	0.4
95.08601	0.5
98.21475	0.3
98.97614	0.4
103.05466	6.9
103.06153	0.4
107.04919	0.8
109.02813	0.3
110.07189	0.5
111.04390	0.3
115.05464	0.3
116.07060	0.3
116.44510	0.3
119.04952	0.6
120.08105	100.0
121.08424	0.7
122.07153	0.8
123.04428	1.5
123.07931	3.5
129.10236	0.7
130.05026	0.7
133.06505	0.4
134.04575	0.3
135.04454	0.5
136.06201	1.2
136.07559	2.8
137.06003	0.4
145.02867	0.3
145.06549	0.3
146.06007	2.2
147.04402	0.7
148.33752	0.3
149.02385	0.5
150.96840	0.4
151.03941	0.3
152.07056	0.5
161.05930	0.5
162.04128	0.3
165.05544	1.5
165.06841	0.4
172.07585	0.5
178.01982	0.3
182.08133	2.8
183.08154	0.6
192.06575	1.0
207.08121	0.4
217.05045	0.7
227.75618	0.3
235.05420	0.3
235.07541	0.8
235.10945	0.4
235.14316	0.4
239.07019	1.0
263.10370	0.4
263.13940	0.8
266.99982	1.2
281.11066	5.0
281.14987	2.3
283.03061	1.2
299.06204	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	281.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96371	0.2
53.23903	0.2
53.43865	0.2
53.85282	0.2
56.05040	0.5
57.03443	0.4
68.85307	0.2
69.03439	0.3
69.39060	1.7
70.06610	0.4
74.06091	1.6
77.21486	0.2
81.04555	0.8
82.05341	0.3
84.04515	2.4
84.08129	0.3
86.09735	0.4
87.61814	0.2
91.05483	0.3
93.07055	0.8
94.04076	0.4
98.21529	0.5
102.05558	0.8
103.05504	0.3
119.03553	6.2
120.06587	6.0
120.08047	0.3
121.06516	8.7
122.07159	0.7
123.07934	2.7
130.05014	0.3
130.06609	0.2
136.06197	100.0
137.04594	2.8
137.06555	0.4
144.06587	1.8
147.04408	0.3
147.09175	4.6
152.10710	3.7
162.04124	53.3
163.04361	0.2
165.07732	0.9
167.10576	0.2
181.39946	0.2
235.14409	0.4
245.12752	0.2
264.12387	2.9
281.10068	11.2
281.14972	6.8
299.06122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0816
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
56.05040	1.0
57.07074	1.2
65.03938	1.3
67.58586	0.4
67.98289	0.5
69.07062	0.5
70.06592	4.6
71.50259	0.6
72.08157	1.4
78.82979	0.4
84.04507	5.7
84.08134	2.6
85.02921	0.6
86.06058	0.6
86.09700	3.5
91.05482	13.0
110.07173	0.8
112.03989	0.4
112.08720	0.9
114.10372	0.4
114.78505	0.4
119.04939	29.4
120.08096	0.8
121.02892	0.6
121.06491	0.8
123.07946	2.1
125.03001	0.6
129.10257	1.6
130.04991	2.4
132.07997	0.6
134.09688	0.6
135.04379	0.7
136.06180	2.1
136.07581	1.3
142.06522	4.0
147.04408	100.0
148.04767	1.0
148.11203	0.8
149.02324	5.8
150.02689	5.1
162.04083	1.1
163.03914	1.0
163.58543	0.6
180.08382	0.7
206.06729	0.5
234.06133	0.6
239.13298	0.8
253.16716	0.6
265.15036	0.5
274.11804	0.5
280.06909	1.8
281.10416	2.5
281.77979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1544
Annotation	3097B1
Peak:m/z	Relative Intensity
51.83881	0.9
53.03946	1.1
55.05516	8.2
57.03194	1.2
57.03434	13.6
57.07065	1.0
67.05492	2.4
69.07050	2.5
69.30907	7.0
70.07371	0.8
79.05467	3.8
81.03444	1.0
81.05824	0.9
81.07034	3.2
82.06590	1.1
82.07400	1.3
91.05468	3.9
93.05779	1.5
93.07041	4.8
94.06570	4.6
95.08568	2.6
96.08087	2.5
97.10197	1.2
104.72763	0.9
105.07025	1.8
106.06567	6.3
107.07351	1.1
107.08583	2.5
108.08147	4.9
110.06060	1.5
117.06995	1.6
118.06573	4.4
119.08575	2.2
120.08103	10.1
121.08894	1.4
122.06091	1.1
124.07606	6.0
125.75479	0.8
130.06503	1.5
131.07295	2.8
132.08075	4.4
133.08890	1.5
134.05998	2.3
134.09656	14.1
135.10455	2.6
135.11569	0.9
136.07542	3.2
136.11180	1.9
144.08142	1.8
145.08835	2.7
145.09958	1.0
146.06021	1.5
146.09650	5.5
147.10402	2.2
147.53201	1.0
148.07553	2.1
148.11200	7.2
149.02356	8.0
150.02635	7.8
150.09059	1.1
150.12761	2.5
152.07077	2.0
152.10680	2.3
153.02606	1.1
158.09712	1.6
159.10454	2.2
160.11177	10.2
162.09135	4.4
162.12762	1.6
164.07094	2.0
164.10681	4.8
166.04944	1.7
168.06528	2.8
170.08110	1.2
170.20004	0.9
174.09152	1.6
174.12715	1.7
176.10692	4.7
177.11401	1.4
178.08679	1.1
178.12251	10.2
179.75824	0.9
180.10214	12.8
182.08130	8.1
188.10648	1.3
188.14375	2.1
191.13045	2.7
192.10208	6.2
194.08130	1.3
194.11699	2.6
196.05995	1.2
204.13840	2.9
206.11777	3.9
208.09674	14.8
210.11258	12.2
216.09732	1.0
216.13820	3.1
220.09741	1.2
222.11218	1.9
224.12827	12.9
226.10799	6.0
232.13321	2.9
234.14908	27.2
238.10730	17.5
262.14386	14.7
267.17429	1.0
280.15439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.05513	11.0
56.54909	0.7
57.03447	1.3
57.07074	3.9
65.03943	2.4
67.05506	95.8
68.05836	0.9
69.07066	10.1
69.37612	3.0
69.38015	1.9
71.04996	2.2
71.08613	0.7
71.48856	0.6
79.05495	16.0
81.07058	100.0
82.07373	0.7
83.04978	1.9
83.08619	6.6
85.06548	1.7
85.46175	0.7
91.05490	5.8
93.07047	14.1
93.61362	0.6
95.04982	1.1
95.08609	78.5
97.06525	1.6
97.10175	3.1
98.21495	1.4
105.07033	4.4
107.08584	8.6
109.06487	0.9
109.10159	47.7
111.08096	1.1
111.11730	1.0
113.09641	0.9
117.06996	2.1
119.08589	6.5
121.02886	1.5
121.06563	0.8
121.10143	9.2
121.81148	0.6
123.08073	2.3
123.11709	21.9
127.07586	0.8
129.52554	0.7
131.08598	4.4
133.10133	4.1
135.08051	1.5
135.11713	6.5
137.09566	1.6
137.13257	9.4
139.11217	1.3
145.10098	3.6
147.11705	4.3
149.02339	23.7
149.09621	1.4
149.13261	3.0
151.11162	1.0
151.14824	3.0
153.00490	0.9
153.12711	0.9
158.03291	1.0
159.11710	3.0
161.13271	2.3
163.11227	1.7
163.14790	2.4
165.12776	1.3
165.16397	1.3
167.10678	1.1
173.13298	4.5
175.14835	5.7
177.12737	1.0
177.16426	0.9
179.14372	0.9
181.12318	1.5
187.14796	3.3
191.14380	1.6
193.15895	0.8
195.13782	1.6
201.16385	1.5
203.38040	0.8
205.15918	1.3
209.15372	2.5
219.05664	1.2
219.21107	0.8
220.59518	0.7
223.16920	2.3
237.18480	1.3
243.21178	3.7
261.22122	5.3
279.09439	1.6
279.13416	1.1
279.19949	1.6
279.23187	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.71799	0.5
53.03941	2.0
55.05510	9.3
57.07082	4.2
57.39426	0.6
58.28533	0.6
61.08796	0.5
65.03939	2.7
67.05504	100.0
69.07069	9.3
69.14678	3.8
69.15115	2.6
71.04979	1.4
73.77382	0.6
79.05492	15.0
81.07056	99.8
81.65981	0.7
83.04971	1.2
83.08617	5.5
85.06534	1.4
87.73928	0.7
91.05476	4.9
91.96422	0.6
93.07040	12.4
95.04994	0.9
95.08607	84.1
97.06538	1.6
97.10161	3.0
102.06773	0.7
105.07036	4.5
107.08601	8.9
109.10155	45.6
111.11736	1.2
117.07018	1.6
119.07205	0.6
119.08574	3.8
121.02883	1.3
121.10146	7.3
123.08101	1.4
123.10832	1.3
123.11708	24.0
127.07554	1.0
131.08566	4.2
133.10143	3.1
135.08102	1.3
135.11687	5.6
137.09624	0.9
137.13248	10.4
141.09021	0.7
145.10112	3.4
147.11687	2.7
149.02345	25.8
149.09616	2.0
149.13258	3.7
151.11134	1.1
151.14813	2.7
159.11711	2.7
161.13243	2.0
163.11168	1.4
163.14810	2.4
165.12825	1.1
165.16365	1.1
167.10695	1.1
173.13258	2.6
174.78078	0.7
177.12694	1.7
177.16336	1.0
179.14304	1.4
181.12175	1.4
187.07239	0.7
187.14815	3.9
191.14333	1.0
195.13815	2.4
205.15883	1.2
209.15370	3.0
212.78949	0.6
223.16879	3.5
237.18477	1.1
238.04105	0.7
243.21117	3.2
261.22134	4.9
279.09332	2.0
279.19983	2.3
279.23184	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	279.1341
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
56.05029	1.5
56.96561	1.2
57.02127	0.6
57.07082	6.8
58.99594	0.7
63.88753	0.7
65.03922	1.0
67.05521	0.8
70.06595	45.4
70.36495	1.9
70.36855	1.0
71.38833	0.7
72.08134	1.2
74.06055	0.8
79.05479	1.1
79.87341	0.7
83.04981	0.7
83.06129	1.2
84.04505	4.3
84.08138	1.8
85.02908	0.9
91.05485	27.2
92.34785	0.7
95.06107	1.8
98.06086	1.2
98.97589	1.7
107.04953	2.1
110.07174	4.7
112.08690	0.9
114.05544	4.9
116.07095	91.6
118.06514	1.7
119.04942	19.5
120.08121	1.4
121.02857	2.9
121.06512	1.5
123.04459	0.9
130.04993	1.7
130.06535	1.3
136.07581	100.0
141.10268	1.8
142.06490	1.5
147.04411	5.3
149.02347	60.7
150.59151	0.7
167.03447	1.2
175.08693	0.8
177.00827	0.8
215.13893	1.1
233.12842	2.6
261.12405	1.5
261.51968	0.8
262.10800	2.2
279.06799	1.6
279.13416	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	279.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96246	0.3
57.05806	0.5
57.07084	3.0
67.05550	0.5
67.78144	0.3
69.07070	11.4
70.06597	1.0
71.04984	0.4
71.38347	0.7
72.08171	0.4
73.00552	0.3
81.07076	0.4
84.08141	0.6
84.08910	0.4
85.02900	0.6
86.09708	100.0
91.05428	0.4
93.07079	0.8
98.97572	0.6
103.05471	0.6
105.07050	0.5
111.02267	0.4
119.08587	0.5
120.08111	8.6
121.02898	0.9
123.04427	0.4
133.10100	0.4
137.67148	0.4
149.02345	19.6
166.08667	4.7
206.08990	0.6
217.44246	0.4
233.16492	0.6
247.14661	0.4
255.65788	0.4
261.12433	0.5
279.13638	0.8
279.17072	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07066	1.7
60.18216	0.5
63.85092	0.5
69.07072	0.6
69.69705	1.3
69.70117	1.9
81.07059	0.6
81.51337	0.5
84.08140	0.5
86.09706	100.0
87.10018	0.6
94.57077	0.5
98.21461	0.7
103.05479	1.3
104.83023	0.5
108.04533	0.7
120.08105	30.0
122.07133	0.6
124.08758	1.2
130.99753	0.5
149.02344	11.2
154.17148	0.5
156.01155	0.9
156.23944	0.5
166.08635	10.0
176.06160	0.5
201.33212	0.5
204.04404	1.3
229.13316	2.4
233.16640	0.8
236.31941	0.6
279.09158	1.8
279.17126	4.3
294.82687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.33381	0.7
50.70939	0.9
51.90471	0.7
53.03947	5.1
55.01871	1.3
55.05512	17.2
57.07066	2.3
58.76531	0.7
65.03942	1.5
67.05507	31.5
69.07068	14.2
70.24265	2.0
71.04984	2.3
71.08645	0.8
73.06588	1.1
77.03922	1.4
79.05494	75.0
81.07059	33.6
83.04995	2.3
83.08621	7.0
85.06559	1.5
89.06048	0.9
91.05482	26.8
93.07045	100.0
95.04993	5.1
95.08611	25.9
95.09080	0.7
97.06522	2.9
97.10155	3.5
105.04528	2.3
105.07029	16.3
107.08597	51.3
109.06516	2.7
109.10158	13.1
111.08075	1.0
117.07018	3.1
119.08579	12.2
121.10145	50.4
123.11716	2.9
129.07027	2.1
131.08557	4.1
133.10130	11.6
135.08125	1.6
135.11694	51.1
136.12022	1.0
139.11261	0.8
143.08539	1.1
145.10124	3.9
147.11664	9.2
149.09671	1.8
149.13266	23.0
159.11679	3.3
161.09583	1.1
161.13264	5.6
163.11163	2.1
163.14845	8.0
167.10684	0.8
171.11752	2.5
173.13272	3.8
175.11229	1.9
175.14822	1.7
177.12785	1.0
177.16486	1.0
181.12183	0.8
185.13283	2.8
189.12862	1.1
193.12259	1.3
195.13759	2.4
199.14792	1.8
203.14366	1.4
207.13789	1.3
213.16580	1.4
217.19525	0.8
221.15355	4.3
231.17493	1.7
231.21059	1.2
235.16830	5.1
241.19485	2.0
259.20523	4.0
270.46930	1.0
277.09753	1.7
277.21634	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03963	5.1
55.01854	1.8
55.05510	16.9
57.07065	4.2
67.05143	1.7
67.05506	34.8
69.06719	1.7
69.07065	15.6
69.42339	1.3
69.42751	6.7
71.04993	1.9
71.24830	1.3
73.06547	1.2
79.05493	73.3
81.06593	1.9
81.07055	36.2
83.04974	2.5
83.08611	8.0
85.06558	1.7
91.05481	28.8
93.07042	100.0
95.04971	5.3
95.08610	23.5
97.06553	2.4
97.10189	6.0
98.21496	2.1
99.08057	1.2
105.04526	3.1
105.07039	14.1
107.08593	51.3
109.06507	2.3
109.10149	12.9
113.05959	1.2
117.06990	3.9
118.38007	1.0
119.08577	10.6
120.95076	1.1
121.10144	43.4
123.08069	2.1
123.11627	2.1
129.06992	1.1
131.08560	3.6
133.10129	10.2
135.08136	1.1
135.11688	54.7
143.08542	2.2
145.10139	3.1
147.11687	6.7
149.02368	1.5
149.09717	1.6
149.13263	25.0
151.11247	1.1
157.10179	2.8
159.11682	3.2
159.25664	1.0
161.09584	1.2
161.13295	5.5
163.11224	2.1
163.14864	6.8
171.11641	2.0
173.13252	1.7
175.11253	1.2
175.14821	2.5
177.12703	1.7
179.10756	1.3
181.12291	1.4
185.13205	1.8
189.12852	1.5
193.12221	1.2
195.13811	2.1
199.14940	1.5
203.44542	1.2
207.13770	1.9
213.16345	1.2
217.15976	1.1
221.15372	5.2
231.17307	1.0
234.08023	1.0
235.13380	1.1
235.16896	5.4
241.19452	2.0
259.20599	3.8
277.09683	4.2
277.18478	3.2
277.21631	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	277.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71257	0.5
69.03425	1.3
69.07088	0.6
69.43272	3.8
70.06589	0.8
81.07037	1.8
84.04502	1.0
84.08153	2.8
86.09686	1.4
91.05473	1.1
93.67226	0.7
95.08566	0.7
96.08154	0.8
97.02881	1.0
98.09682	0.9
99.74039	0.6
102.05566	0.9
105.07040	0.8
113.04232	0.7
115.05472	1.0
116.01704	1.2
119.04920	1.0
120.08048	1.1
124.07601	0.9
124.81362	0.6
127.12264	0.8
127.58961	0.6
128.06284	0.7
128.79247	0.6
129.07001	4.4
130.06531	7.0
131.08707	0.6
136.07640	1.4
142.06532	3.2
142.31375	0.6
144.08081	16.3
146.06006	1.8
147.04405	2.6
149.02316	1.1
154.06512	28.2
155.07271	2.3
156.04437	3.6
156.08104	14.5
156.10109	0.9
158.06039	3.4
160.07567	1.2
162.02144	0.8
170.06010	0.9
171.09209	0.8
172.07574	7.7
174.05467	1.8
176.67014	0.6
182.06018	100.0
183.06787	3.9
184.07565	6.8
185.10664	0.6
186.09125	2.0
188.07054	12.3
189.10323	0.7
190.08575	1.7
200.07065	11.0
202.08624	2.5
204.10228	1.4
210.05504	4.6
214.08676	10.2
214.10812	1.3
215.11838	0.7
216.06839	0.6
216.10367	1.4
217.09703	1.1
228.06552	2.3
231.11304	6.4
231.14894	4.1
231.16931	0.6
235.17090	1.3
242.05621	1.4
242.08127	28.7
243.08524	0.7
245.09288	1.0
245.12859	2.9
259.11111	4.6
259.14417	6.5
260.09183	75.2
261.09607	1.0
277.11844	11.4
277.15430	7.5
277.17868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	1.2
55.01438	0.8
55.05525	1.1
56.05053	1.2
57.07061	1.3
58.06605	0.9
58.99326	0.8
67.88103	0.8
68.05021	2.3
69.03427	0.9
70.06582	2.7
72.08165	1.1
74.02481	0.9
79.05528	1.0
80.05018	0.9
81.07079	0.9
84.04502	3.3
84.08156	10.7
86.06061	1.4
86.09695	1.2
91.05493	1.1
94.06568	1.0
96.04488	2.5
100.03955	2.0
105.03387	2.7
105.07028	2.6
109.29837	0.9
115.05490	0.9
118.06575	1.4
119.04939	1.6
119.12485	0.8
120.08094	2.1
123.04424	1.6
123.05539	2.1
124.03957	1.8
127.12286	2.2
129.06987	2.0
130.06537	11.1
132.04453	5.0
132.08101	1.1
134.06024	1.7
136.07570	2.6
142.06396	0.9
143.07285	1.7
144.08095	6.6
146.06027	23.3
147.04393	7.1
149.02386	1.0
154.06548	4.4
155.06061	11.7
156.06905	1.7
156.08095	4.0
157.06467	1.0
157.07631	1.4
158.06052	3.0
158.09662	2.2
160.07576	2.5
161.06001	1.1
163.03960	1.9
168.08121	4.7
170.06050	1.6
171.05548	1.1
171.09167	3.4
172.06209	1.8
172.07587	17.8
173.07121	3.7
174.05496	11.7
181.07631	8.4
182.05997	2.8
182.08401	3.7
183.06796	1.1
183.09215	7.6
184.06171	7.3
184.07776	7.6
185.07239	1.8
186.09206	7.2
187.08646	1.9
188.07072	2.6
195.09215	2.8
196.99686	0.9
199.08679	39.4
200.07091	6.1
200.09225	0.9
201.10254	3.6
209.07100	1.1
213.10283	1.4
217.09740	26.7
227.08220	4.1
231.11339	2.1
231.14975	2.3
235.16875	1.0
241.09702	2.5
242.08047	1.1
245.09238	100.0
259.05939	1.0
259.10880	10.2
259.14435	3.4
277.11844	27.4
277.15536	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	277.0975
Annotation	Lakshminine
Peak:m/z	Relative Intensity
55.05505	0.1
56.45594	0.1
67.05494	0.4
69.03435	0.2
69.07066	0.3
69.24652	0.3
69.25060	0.9
70.06573	0.3
72.08146	0.3
79.05480	0.1
81.07043	0.5
86.09677	0.1
91.05475	0.1
93.07031	0.5
95.08618	0.4
97.02879	0.1
98.20795	0.3
105.07032	0.3
107.08593	0.3
109.02880	0.2
109.10152	0.4
115.05442	0.8
119.04804	0.1
120.08134	0.8
121.10160	0.2
125.55067	0.1
130.08615	0.3
131.08629	0.2
136.07498	0.1
136.36287	0.1
140.04942	1.3
142.06563	0.2
146.05948	0.2
147.11740	0.2
157.10129	0.2
167.06058	1.2
184.06348	0.5
185.07123	5.7
204.08084	0.6
206.08401	4.3
207.09152	0.3
212.08560	0.1
219.09152	0.7
220.09962	0.3
221.10757	5.2
229.07666	0.2
230.08395	1.2
231.09152	1.9
232.09540	0.1
233.08258	0.3
235.16930	0.2
249.10300	1.4
259.08652	0.6
260.12564	0.2
276.08841	0.2
277.09717	100.0
278.09824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28310	1.0
52.28581	1.0
69.03432	1.7
69.79981	5.8
70.99855	1.7
74.26884	1.0
77.00920	1.1
81.03425	5.5
82.99829	6.5
85.02903	2.2
89.00875	1.4
89.69605	1.3
95.04993	1.3
97.01406	2.0
99.04461	1.3
100.00117	3.7
101.00882	38.7
109.02904	5.8
113.00893	4.0
115.02390	5.0
117.86329	1.2
118.01118	1.9
119.01925	34.2
125.88232	1.0
127.02406	3.7
131.01926	3.9
133.03465	5.7
137.02951	2.4
138.01610	2.3
139.02396	7.7
141.00281	2.3
141.04053	1.0
142.01144	4.1
143.01903	15.5
145.03474	9.7
151.04552	1.3
155.01866	1.2
156.02646	2.8
157.03468	38.9
159.01392	4.4
159.05048	1.8
160.02200	3.1
161.02962	21.8
166.01103	1.3
167.01886	4.7
169.03484	4.3
171.04984	2.9
173.02977	2.4
175.04524	13.9
183.04999	3.9
184.02190	2.4
185.02962	17.4
187.04561	3.7
189.06181	1.2
199.04524	6.8
201.06081	3.6
203.04013	8.3
217.05580	4.3
227.04047	2.3
235.06607	4.6
245.05078	4.2
253.07736	1.8
259.06708	6.6
277.08627	100.0
278.08142	1.0
295.08740	82.8
296.09003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49967	0.2
51.93066	0.2
52.84161	0.2
53.03940	0.4
53.47192	0.2
55.01876	0.6
55.05517	0.6
56.05033	0.7
57.03440	0.9
58.99588	1.2
60.04531	0.3
61.81659	0.2
65.03944	0.3
67.05503	0.2
68.99805	0.4
69.03434	1.3
69.07079	0.4
70.02961	0.3
70.06589	0.7
70.61944	0.7
72.08136	0.3
74.00685	0.3
74.02434	0.3
76.02223	1.8
79.05501	0.8
81.03404	0.2
81.07044	2.2
84.04488	0.4
84.08144	0.6
85.01137	0.7
85.02905	0.3
86.00675	0.5
86.02422	0.5
86.09698	0.7
86.70207	0.2
86.99066	0.6
87.00850	0.4
87.02709	0.8
88.03962	0.5
91.05477	0.9
92.05000	1.1
94.06571	0.6
95.04961	0.6
95.08585	0.4
97.02860	0.3
98.09702	1.4
98.81561	0.2
99.04491	0.4
99.08101	0.5
102.05544	0.7
103.05491	0.2
104.03462	9.4
104.04983	0.6
105.04517	0.2
105.07027	0.3
107.04954	0.3
108.08121	0.2
110.07156	0.4
112.03967	0.5
113.04257	0.6
114.32675	0.2
116.01698	2.0
118.06533	2.0
119.04971	0.4
119.08588	0.3
119.31760	0.2
120.03636	0.4
120.04474	6.2
123.04376	0.3
124.07616	0.5
128.04936	1.9
129.10219	0.3
130.04991	0.7
130.06789	0.5
130.08647	0.3
131.04967	0.3
132.04439	4.3
132.08105	0.3
136.07562	0.4
138.09193	0.2
144.01181	0.7
144.08099	0.7
146.06007	100.0
147.04422	0.7
147.06323	0.6
149.02390	0.5
154.08478	0.3
156.08542	1.1
156.10185	1.2
160.06169	0.3
160.07538	0.5
162.02176	2.2
163.08588	0.4
170.05989	0.6
173.07103	0.9
174.05507	51.3
175.05934	0.3
179.04843	0.8
188.07086	0.7
191.08138	0.9
192.06589	0.3
198.05554	0.9
213.06612	1.6
216.06895	1.1
231.11244	0.3
233.09184	0.3
235.16890	0.3
259.07141	2.3
259.11102	6.4
259.14307	0.6
260.12833	0.7
277.08429	0.7
277.12085	0.5
277.15390	1.6
277.18076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	5.9
58.06601	0.7
58.07414	2.3
62.06069	0.6
69.70802	1.5
70.06595	9.4
71.06929	3.2
71.08636	2.0
72.08930	0.8
85.10175	0.9
86.10537	0.5
88.07629	11.9
89.07376	0.7
89.07946	3.5
102.09190	3.0
103.09509	1.0
106.08671	6.2
107.09019	1.8
213.24171	0.6
231.25189	0.7
257.26721	7.0
262.24405	0.4
269.53372	0.3
275.27753	100.0
276.28006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02360	0.1
53.03938	0.5
54.02134	0.1
55.01874	0.2
55.05499	0.1
57.07078	0.1
67.01859	0.3
67.05489	0.1
68.90334	0.1
69.07038	0.2
70.84937	0.2
77.03925	0.4
79.05495	1.1
81.03394	0.1
81.07046	0.5
85.02900	0.3
91.05448	0.3
93.07034	0.3
95.04967	0.7
95.08618	0.2
105.04510	0.3
105.07022	0.3
107.04954	100.0
108.05305	0.6
109.10162	0.2
121.06516	0.2
123.04408	0.5
127.03914	1.1
137.09615	0.1
147.11720	0.2
149.05965	0.6
151.03902	1.5
151.05026	0.2
151.75665	0.1
155.03357	0.1
161.13235	0.2
169.04962	9.8
181.04910	0.2
257.19183	0.2
275.09131	1.5
275.20151	0.3
275.23700	0.4
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
55.01856	2.0
55.05511	5.7
57.03420	2.3
57.07073	2.6
59.04991	1.7
67.05510	6.7
69.03413	1.3
69.07074	15.4
69.75615	1.1
70.09061	4.5
71.04986	2.7
79.05502	6.7
81.07073	10.9
83.04977	2.1
83.08618	1.9
85.06548	2.7
88.07646	1.8
89.07966	1.3
91.05483	12.8
93.07045	15.3
95.04968	3.8
95.08599	12.0
97.06534	3.1
97.10112	1.0
105.07030	18.1
107.08577	8.8
107.11851	1.1
109.06517	4.6
109.10174	9.1
111.08080	24.6
113.09641	3.3
117.07011	4.5
119.08585	17.2
121.06506	2.3
121.10149	9.4
122.07276	3.7
123.08080	14.1
123.11710	3.7
131.08566	11.9
133.06619	1.3
133.10143	12.1
135.08058	20.0
135.11665	4.1
137.09598	3.4
139.11174	1.7
143.08580	3.8
145.10139	10.1
147.08022	2.5
147.11699	14.1
148.08853	1.9
149.09615	3.6
149.13246	2.7
156.09326	2.6
157.10170	4.2
159.11684	10.5
161.09612	2.7
161.13269	2.3
163.11198	3.8
165.12733	3.5
169.10121	2.3
171.11708	16.4
173.09689	1.9
173.11928	1.5
173.13229	6.1
175.14813	2.9
176.12018	5.6
177.12677	1.5
181.12215	14.3
183.11722	1.5
187.14886	1.3
189.12714	3.4
191.14307	100.0
192.14655	2.0
197.13336	1.7
199.14861	5.2
205.12254	2.0
206.18716	1.1
213.16304	1.7
215.17915	3.0
217.15819	5.8
239.17947	2.2
257.19070	8.3
257.21466	1.4
275.05185	1.7
275.20071	59.7
275.23178	2.6
275.27753	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	274.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01863	3.2
55.05277	2.3
55.05513	36.1
56.05038	10.3
57.07067	2.0
61.02932	16.7
62.22829	1.9
67.05490	5.6
68.05025	5.1
69.03432	3.4
69.07063	2.7
69.38395	2.0
69.44102	9.7
69.44507	4.2
70.06599	35.4
71.04996	85.4
73.88525	1.7
74.55106	1.7
79.05502	16.2
80.04583	2.9
80.05020	48.6
81.07063	16.2
82.06585	23.6
83.04980	2.4
84.04501	5.8
85.06540	2.6
87.04463	4.2
91.03953	4.5
91.05480	4.9
93.07033	4.0
95.04957	3.8
95.08570	2.2
96.08136	36.0
97.02883	5.4
97.06525	9.3
98.06043	6.4
98.09686	9.0
99.04445	4.7
100.07603	8.3
106.06555	17.3
107.08592	4.2
108.04472	2.8
108.08125	25.3
111.08086	31.3
113.09649	98.9
114.09138	2.8
116.07090	9.6
120.08089	2.7
121.06481	3.5
122.09649	8.8
123.04491	2.9
124.06718	3.8
124.07594	55.2
126.05498	3.5
127.06283	3.4
128.07069	8.9
129.05489	3.1
137.05994	3.6
138.09149	53.0
139.03905	3.3
142.08617	10.4
144.06566	96.5
148.04774	2.4
150.12791	41.5
152.07028	5.8
154.02126	2.2
154.08638	7.7
155.07034	3.0
170.08131	27.1
184.09698	80.9
196.13336	41.6
211.09685	17.7
228.09944	2.3
228.15945	40.5
229.10818	9.7
239.09155	6.4
257.10220	24.5
274.08133	2.8
274.16489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05494	4.8
57.03423	1.1
57.07064	2.2
67.05499	8.4
69.07073	7.5
70.01650	2.7
70.02053	1.7
71.04991	13.2
79.05493	5.5
81.07060	30.9
83.04951	1.3
83.08597	2.8
85.06520	4.1
88.03242	1.1
91.05471	10.4
93.07047	19.8
95.04956	4.5
95.08606	24.2
97.06524	1.4
97.10173	2.7
98.20811	1.2
99.08041	1.6
105.07032	28.1
107.08591	18.9
109.06512	7.4
109.10147	12.8
111.00685	1.0
111.08078	12.3
113.09662	6.0
113.30473	1.0
117.07003	5.7
119.08587	50.6
121.10148	20.9
123.04428	4.1
123.11721	8.6
125.09643	1.3
129.07022	3.3
131.08565	16.1
133.10135	13.4
135.08095	1.2
135.11713	5.8
137.09604	1.3
137.13272	2.0
142.07741	2.5
143.08539	7.2
144.09340	2.8
145.10126	23.5
147.11662	13.3
149.09650	2.2
149.13300	6.4
151.11160	2.9
157.10133	12.2
159.11697	45.0
161.13251	15.4
163.11153	2.7
163.14796	4.4
171.11714	6.1
173.13246	19.0
175.14792	6.5
177.12753	6.9
179.14320	1.9
185.13275	8.4
187.14824	5.9
189.09077	1.1
189.16353	5.2
197.13193	1.5
199.14783	18.9
200.15532	1.4
201.16293	1.4
203.14330	1.5
203.17958	4.2
213.16379	10.3
215.17960	59.5
217.15930	3.5
227.17963	3.9
229.19475	12.2
231.17487	2.0
231.21107	2.2
255.21078	56.1
273.07596	2.7
273.18872	4.0
273.22119	100.0
274.27429	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.5
55.01854	2.5
55.05509	23.9
56.05022	4.0
57.03431	1.8
61.02921	8.3
67.05490	5.4
68.05006	6.0
68.99780	3.3
69.07048	3.5
69.16582	16.0
70.06592	33.7
71.04991	100.0
77.03907	1.8
79.05495	11.9
80.05016	32.4
81.03385	2.6
81.07055	8.9
82.06577	18.3
82.28017	1.7
83.04984	2.1
84.04494	6.0
86.09722	1.9
87.04442	2.2
91.05479	3.4
94.06548	2.6
95.04972	3.5
96.08132	22.4
97.02875	2.3
97.06503	6.5
98.06030	4.2
99.04435	4.8
100.07635	10.1
106.06549	15.7
108.08108	18.6
113.09642	86.4
114.09167	1.9
116.07059	10.6
120.08152	1.9
122.09666	8.9
123.04424	47.0
124.04769	40.2
124.07581	39.3
126.05486	4.6
127.77375	1.8
128.07079	12.0
129.05441	1.8
130.08629	2.0
136.04706	2.3
138.09134	47.1
139.03873	2.0
142.08626	5.9
144.06557	91.6
147.04344	3.5
148.04744	4.7
150.12773	28.2
151.03883	1.8
152.07089	4.6
154.08618	5.6
163.03806	2.6
164.04225	5.3
170.08119	14.4
182.11728	3.7
184.09682	71.9
196.09473	4.5
196.13304	33.5
211.90375	1.6
228.12262	4.6
228.15935	30.3
256.06839	3.8
256.11749	2.3
274.07977	18.8
274.16452	80.4
274.27365	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.22240	0.9
55.05505	3.1
56.96566	1.5
57.07078	1.1
65.03927	2.8
67.05508	5.8
68.99789	1.6
69.03426	2.9
69.07059	4.0
70.06598	2.0
70.09132	3.8
70.75672	0.9
71.04998	1.5
79.05486	6.3
81.03413	4.3
81.07069	8.4
83.04977	1.7
83.08627	1.3
84.04494	1.0
84.08152	1.4
85.02909	2.2
86.09718	2.3
89.03905	2.3
90.78758	1.0
91.05486	5.9
92.04996	2.3
93.07066	4.9
94.06569	1.5
95.04965	1.5
95.08601	5.6
96.04514	1.3
97.02898	1.8
98.97584	1.7
99.04468	1.1
105.07018	6.1
105.07606	0.9
106.06573	0.9
107.04956	3.9
107.08595	4.8
108.04515	1.4
108.08120	1.9
109.10160	3.9
110.06062	1.0
111.04443	3.1
115.05478	1.3
117.03374	3.9
117.04316	0.8
117.05724	2.8
117.07028	3.4
118.06544	11.8
119.04967	2.4
119.08581	5.4
120.08215	0.9
121.06514	1.5
121.10147	2.9
122.06018	2.3
123.04435	13.4
123.11692	1.6
127.03925	1.9
128.06233	2.6
129.07016	2.6
130.06531	8.8
131.08588	3.4
133.10117	3.3
135.04430	9.2
135.08069	1.4
135.11711	2.7
136.07562	2.0
137.02345	44.0
141.06911	1.4
143.07436	1.2
143.08530	4.5
144.08095	4.0
145.02850	4.2
145.06477	1.2
145.10097	3.1
146.06015	56.2
146.09578	1.4
147.04433	6.6
147.11653	2.3
149.05988	2.6
149.13304	1.5
151.03943	1.5
151.07579	1.8
152.06187	1.6
153.01851	8.2
153.06979	6.8
154.06554	3.5
155.07307	5.2
155.08447	1.6
156.08107	2.0
157.06491	2.2
157.10139	1.8
158.06055	1.8
158.09534	1.3
159.06848	1.4
159.09193	2.3
159.11665	1.4
160.07671	1.3
160.09930	1.4
161.13243	1.8
163.03912	31.6
163.07474	0.9
163.14830	1.4
165.07094	1.1
167.07315	2.4
167.08640	1.5
168.08090	2.6
169.06332	1.3
169.08757	1.4
170.09644	10.2
171.09154	2.6
171.11705	1.4
172.07555	2.5
172.09961	6.8
172.11298	2.4
174.09099	1.3
175.08704	1.3
175.14944	1.4
180.08098	2.2
181.06473	4.2
182.09668	1.7
183.06798	3.4
183.09203	1.4
184.07695	1.3
185.05814	2.1
185.07208	1.8
185.13309	1.8
186.09189	1.6
186.11482	2.2
187.08812	5.1
187.12308	12.2
188.09468	5.7
189.05499	2.3
197.10773	2.1
198.09137	22.7
199.08717	14.3
199.12332	2.2
200.07112	2.9
200.09454	10.8
209.05952	2.1
209.10771	1.5
210.09219	1.6
211.08604	2.2
212.09335	1.3
213.06636	6.4
213.08569	1.4
213.12590	0.9
214.11082	2.3
215.11803	21.8
225.10229	2.1
226.08704	6.1
226.10768	1.1
227.08273	21.2
227.11703	6.9
228.08884	34.7
237.10258	2.0
240.08920	2.3
241.08621	1.4
243.11310	100.0
245.12860	10.3
255.06685	5.5
255.11369	8.2
255.13762	1.7
255.17464	1.9
255.21191	1.8
256.13397	3.8
258.05298	2.4
258.09857	1.2
273.07700	41.5
273.12335	68.3
273.18497	4.7
273.21896	5.3
273.25476	5.1
274.12497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83318	0.7
55.05509	0.9
59.80907	0.7
60.05629	1.4
66.60365	0.7
69.85323	4.2
70.06591	11.7
71.04964	1.0
72.08159	5.3
73.02921	0.8
77.99297	0.7
80.05017	2.5
81.03416	1.2
83.04994	0.9
84.04491	1.1
84.08141	2.5
85.02903	1.6
97.07630	2.4
97.08929	1.1
98.09657	0.9
99.00829	2.1
100.85119	0.8
101.00870	0.9
107.04958	1.0
111.04443	2.1
112.08751	2.2
113.07941	1.0
114.10290	9.5
116.07112	1.5
120.06609	0.7
123.05569	1.8
124.03948	4.9
125.04295	2.3
125.72163	0.7
126.12786	24.6
127.03927	1.0
130.09804	1.3
134.05974	0.9
135.04349	1.0
140.07025	1.2
141.06534	4.1
152.07054	2.0
153.05481	1.0
168.13788	1.7
168.15053	0.8
175.11880	1.7
185.17632	7.8
192.67938	0.7
229.16603	4.4
273.09457	100.0
273.19247	2.4
274.09860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21601	0.8
53.03938	2.6
55.01871	1.2
55.05490	3.0
56.96563	1.0
57.03398	1.0
57.07050	1.0
65.03933	2.7
67.05505	4.3
68.99776	2.5
69.03423	2.3
69.07044	3.8
70.06566	1.4
71.04971	1.1
71.50417	1.4
79.05480	4.2
80.04985	1.2
81.03422	5.3
81.07053	7.3
83.04961	2.5
83.08595	1.3
84.08146	1.5
85.02902	1.5
85.67612	0.8
86.09704	1.6
89.03896	2.0
91.05457	5.9
92.04971	1.9
93.03400	1.1
93.07058	4.2
94.06535	1.5
95.04935	1.4
95.08616	6.2
97.02827	1.3
98.97577	1.5
105.07037	4.5
106.06519	1.1
107.04946	4.1
107.08568	4.0
108.08096	1.5
109.02864	1.3
109.10161	4.3
110.06019	1.4
111.00827	1.0
111.04408	2.3
115.05431	1.1
117.03368	5.9
117.05728	1.3
117.07010	1.7
118.06537	9.2
119.04936	1.3
119.08582	4.1
120.04440	1.2
121.06454	1.8
121.10135	3.3
122.05995	1.3
123.04437	14.2
123.11705	2.1
125.09650	0.8
127.03881	1.2
128.06219	2.0
129.06978	3.8
130.06526	11.6
131.08531	2.3
133.10114	3.1
134.05948	1.1
135.04388	9.1
135.08026	1.1
135.11668	1.5
136.07535	3.0
137.02336	53.4
139.03877	1.0
141.06950	1.7
142.06522	1.0
142.07704	1.0
143.08528	3.4
144.08070	3.8
145.02840	5.9
145.10078	2.9
146.06006	47.3
147.04414	4.7
147.08014	1.0
147.11610	1.6
148.07581	0.9
149.05942	2.0
149.13216	1.4
151.03893	1.7
152.06154	1.4
153.01799	8.8
153.06952	3.9
154.06509	2.1
155.07259	3.7
155.08521	2.1
156.08070	2.4
157.08917	1.2
157.10115	2.5
158.05898	1.1
159.09142	2.2
159.11665	2.7
160.09906	1.8
163.03896	40.6
163.14825	1.0
165.06952	1.5
167.07277	2.0
168.08072	2.5
169.06396	1.0
169.08879	1.4
170.09636	9.4
171.09175	2.8
171.11664	1.4
172.07657	1.7
172.09912	6.9
172.11229	2.4
173.10754	1.6
173.13205	1.6
174.09138	2.5
175.08702	1.4
175.14767	1.2
180.08060	1.2
181.06456	6.1
182.09669	1.4
183.06758	4.5
183.09128	1.2
184.07547	1.8
185.07112	2.0
185.13208	1.3
186.09204	1.9
186.11456	2.4
187.08772	5.9
187.12311	11.5
188.07036	1.7
188.09361	6.1
189.05421	3.7
196.07426	1.1
197.10689	2.4
198.09140	24.2
199.08752	13.4
199.12318	2.7
199.14813	1.3
200.07104	2.2
200.09398	10.2
200.10997	1.1
203.06895	1.0
209.05980	1.8
209.10571	1.1
210.09085	2.5
211.08701	1.5
212.09439	2.0
213.06819	4.4
213.10428	1.1
213.16478	1.0
214.10860	1.0
215.08385	1.5
215.11809	22.7
223.59204	0.9
225.10219	2.7
226.08704	4.4
227.08299	20.9
227.11716	7.7
228.08893	36.7
237.05450	1.8
240.09050	2.0
241.08614	1.7
243.11290	100.0
244.11617	1.2
245.08379	1.0
245.12888	9.3
255.04195	1.3
255.06485	6.8
255.11221	8.9
258.05139	1.4
258.09973	1.1
273.04309	1.2
273.07626	56.7
273.12286	73.0
273.18793	5.7
273.22147	5.4
273.25729	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	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.48149	0.2
55.01860	0.3
65.03944	0.5
67.01867	2.2
67.05507	0.3
68.99793	1.6
69.03435	1.8
69.07058	0.4
79.01860	0.2
79.05511	0.3
80.00748	0.2
81.03414	0.5
81.07053	0.2
83.01350	0.5
91.04900	0.4
91.05480	8.6
91.33029	0.1
93.07025	0.3
95.04971	1.9
95.08614	0.5
97.02901	1.3
105.07060	0.5
107.04946	2.1
107.08607	0.3
109.10143	0.2
111.00806	0.7
119.04942	19.8
119.08577	0.4
121.02901	0.3
121.06504	0.8
121.10155	0.3
123.04443	4.2
131.08525	0.3
133.06439	0.3
133.10188	0.3
145.06384	0.2
147.04408	45.1
148.04733	0.4
151.03885	0.5
152.06143	0.2
153.01826	100.0
154.02194	0.7
159.11760	0.2
163.07437	0.2
171.02882	1.4
171.04265	0.4
179.03380	0.8
179.11552	0.2
181.06523	0.5
187.07463	0.2
189.05486	0.9
207.06517	0.3
213.09100	0.2
215.17891	0.2
231.06557	0.6
241.08746	0.2
255.06529	0.5
273.07562	63.4
273.18564	0.8
273.25885	0.3
274.07922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.74121	0.3
53.52940	0.3
65.03923	0.5
67.01869	2.4
67.05506	0.6
68.99784	2.3
69.03426	1.5
69.40409	2.6
70.06576	0.4
79.05481	0.4
84.08149	0.7
86.09706	0.9
87.14722	0.4
91.05482	6.6
95.04978	2.5
95.08626	0.5
97.02902	0.7
98.09690	0.7
107.04974	2.0
111.00808	0.9
115.05457	1.0
116.01678	0.8
119.04939	17.8
121.02907	0.4
121.06482	0.6
123.04427	5.9
125.02344	0.4
128.06259	0.4
129.10248	0.5
130.06526	1.6
132.08092	1.9
142.06523	0.4
144.08130	0.5
145.10080	0.4
147.04410	44.1
148.04756	0.6
151.03905	0.5
153.01828	100.0
154.02176	0.5
156.08331	0.6
157.07585	0.4
159.09169	4.4
160.07654	0.6
161.06035	0.4
163.03886	0.6
165.67650	0.4
169.07607	1.2
170.06035	3.1
170.11784	0.7
171.02899	3.3
179.03391	0.4
181.06398	0.6
183.09123	0.5
184.07574	1.3
185.07092	2.7
187.08687	1.3
189.05490	0.9
193.74609	0.4
195.32608	0.4
200.07199	0.7
212.06989	0.4
227.08203	2.4
241.08534	0.5
244.39404	0.4
245.09239	4.4
245.12784	0.4
249.03033	0.4
255.11200	0.8
273.07556	75.5
274.07864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04668	0.2
55.01860	0.3
55.05472	0.2
65.03932	0.5
65.18056	0.2
67.01865	5.1
68.99786	2.3
69.03432	2.0
69.07050	0.3
69.26574	1.9
79.01836	0.3
79.05474	0.2
81.03421	0.5
81.07038	0.8
83.01349	0.4
85.06519	0.2
91.05479	5.7
93.07032	0.5
95.04496	0.2
95.04987	1.7
95.08603	0.6
97.02886	1.2
98.20811	0.5
105.07024	0.5
106.71083	0.2
107.04963	2.1
107.08563	0.6
109.08539	0.2
109.10139	0.4
111.00812	0.6
111.04439	0.3
119.04937	13.5
119.08586	0.3
121.06519	1.3
121.07241	0.2
121.10134	0.4
121.28015	0.2
123.04423	4.1
123.11720	0.2
125.02345	0.6
127.03931	0.8
129.01837	0.4
130.47606	0.2
133.10062	0.4
135.11694	0.2
137.02299	0.2
147.04407	34.7
148.04745	0.3
151.03864	0.7
153.01825	100.0
154.02148	0.7
163.03851	0.3
163.07523	0.3
163.14929	0.3
171.02887	7.8
179.03389	1.1
181.06599	0.3
185.39700	0.2
189.05504	1.1
231.06512	0.6
255.06651	0.5
273.07568	61.7
273.25809	0.7
274.07919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
51.70594	0.2
55.01882	0.4
55.05483	0.3
65.03949	0.6
67.01868	2.6
67.05515	0.5
68.99795	1.8
69.03440	1.6
69.07018	0.2
70.25186	0.6
79.01856	0.3
79.05492	0.3
81.03407	0.4
81.07057	0.9
83.01340	0.4
84.08125	0.2
85.02892	0.2
91.05489	7.9
92.05827	0.4
93.07035	0.4
95.04982	2.3
95.08638	0.7
97.02917	1.2
105.07044	0.7
107.04955	2.3
107.08591	0.6
109.10192	0.4
111.00797	0.6
119.04948	18.0
119.08589	0.3
121.06495	0.5
121.08913	0.6
121.10221	0.3
123.04425	4.8
125.02319	0.3
129.01855	0.4
133.10106	0.4
145.10187	0.3
147.04414	43.1
147.11676	0.3
148.04779	0.5
149.08340	0.9
149.09473	0.3
151.03886	0.8
151.34586	0.3
153.01834	100.0
154.02156	0.6
157.06534	0.3
157.10103	0.5
163.03925	0.6
171.02904	2.0
171.04260	0.4
179.03424	0.6
181.06522	0.5
189.05484	1.0
198.06810	0.3
231.06531	0.4
255.06554	0.7
273.07581	67.5
273.22305	0.6
274.07996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	20.6
53.03935	2.3
54.38667	0.9
55.01854	1.4
55.05520	5.2
57.03429	1.0
63.72942	1.2
63.86487	1.0
65.03625	1.2
65.03935	16.4
67.05504	41.5
68.99781	2.2
69.03427	38.5
69.07043	1.8
70.06571	2.9
71.01360	8.5
71.04941	1.9
71.05270	1.5
72.08131	1.9
79.05465	2.3
81.07053	1.3
83.04978	48.8
84.08134	3.3
85.02903	14.0
86.09693	2.6
87.00811	4.4
91.05447	2.8
93.03407	23.5
95.04964	28.4
95.08564	1.7
99.00814	100.0
101.05952	1.2
107.04942	2.3
107.08564	1.4
111.04440	68.1
117.01844	10.8
120.63173	1.0
121.02885	7.3
123.04423	15.9
129.05479	29.8
129.10252	1.7
130.04982	1.3
135.04405	4.0
135.08017	2.1
139.03912	14.7
147.04407	1.9
147.06401	1.3
151.03987	1.3
153.09073	3.3
157.04929	3.0
163.03888	7.0
181.06468	1.5
209.04440	8.9
210.07330	1.1
215.08810	1.3
227.05481	17.0
227.07494	1.5
230.17012	1.0
245.06401	1.3
255.04814	1.1
273.05823	15.9
273.12210	1.5
273.15628	1.7
273.22055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
67.01871	2.5
67.05485	0.6
68.99783	1.7
69.03433	2.3
70.06588	0.6
71.49901	0.9
81.03416	0.5
81.07037	0.6
83.04984	0.6
84.04478	0.7
84.08157	0.8
86.09694	0.9
91.05482	6.6
93.07066	0.5
95.04956	2.3
95.08626	0.5
97.02873	1.3
100.20382	0.4
105.07037	0.8
107.04935	2.3
111.04426	0.5
116.01680	0.6
119.04942	17.8
119.05798	1.1
121.02829	0.7
121.06523	0.9
123.04429	7.6
125.09641	1.2
130.06541	0.5
131.08614	0.5
133.10187	0.6
135.04430	0.6
139.07539	0.6
147.04411	43.3
151.03877	1.0
151.38879	0.4
152.06393	0.5
153.01826	100.0
154.02182	0.9
163.03908	1.5
166.88449	0.4
170.11784	0.5
170.88477	0.5
171.02997	2.5
179.03358	0.5
181.06454	0.6
187.61752	0.4
189.05458	1.0
203.14360	0.6
225.31219	0.5
255.06827	0.6
255.11465	0.5
273.07571	77.4
273.22192	0.8
274.08157	0.7
281.85922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.2
53.00085	1.7
53.00307	18.4
53.03939	3.3
55.01843	1.5
55.05501	5.3
56.96553	1.4
57.03433	1.1
65.03943	15.7
66.48166	1.2
67.05508	34.8
68.99786	3.4
69.03429	31.5
70.06588	4.7
71.01360	10.3
71.49133	2.1
73.58254	1.1
79.03851	1.1
79.05490	2.5
79.41399	1.1
81.07042	2.2
83.04495	2.6
83.04981	49.7
83.74017	1.1
84.04510	1.6
84.08119	2.7
85.02910	14.2
87.00827	4.5
89.03896	1.8
93.03403	19.1
95.04382	1.8
95.04972	29.5
99.00819	100.0
105.04525	2.0
109.06505	1.7
111.00813	1.4
111.04445	63.1
114.03755	1.2
117.01867	14.4
117.03312	1.1
119.04935	1.3
121.02847	4.0
123.04428	23.3
129.05479	29.6
135.04414	5.0
139.03900	14.8
147.04378	3.6
147.06496	2.5
149.05972	2.1
151.03918	2.0
153.07022	3.9
157.04958	5.6
163.03908	17.8
163.07602	1.5
181.06488	2.5
189.05516	3.0
209.04402	7.6
213.09140	2.0
227.05489	15.1
227.07593	1.9
241.08696	1.5
250.03178	1.2
268.04251	1.3
273.05701	13.8
273.12207	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	272.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
53.32941	0.2
54.94698	0.1
55.01870	0.3
55.05507	0.3
56.64759	0.2
56.96570	0.7
57.03438	0.4
57.07062	0.2
60.05631	0.2
60.08139	0.3
61.02924	0.2
67.05505	0.3
68.05008	0.3
69.03447	0.3
69.07054	0.2
70.06596	3.6
72.08163	0.7
72.08508	0.1
73.02908	0.2
74.06054	0.2
78.03465	1.0
79.04250	0.2
79.05466	0.2
80.05019	3.7
81.03388	0.4
81.07035	0.2
82.06571	0.3
83.04990	0.3
83.06109	0.2
84.04507	0.4
84.08145	0.9
85.02917	1.0
85.04033	0.4
86.09698	0.5
89.03905	0.4
94.06559	0.2
95.04990	0.2
95.06088	0.3
96.04498	1.8
97.02892	0.4
98.74104	0.2
98.97577	0.7
99.00813	0.2
99.09227	0.8
103.03929	0.3
105.59313	0.1
106.02943	1.8
108.04426	0.1
110.06078	1.3
110.07177	1.8
111.04462	0.5
112.07630	0.4
112.08691	0.2
112.88721	0.1
116.07098	0.5
116.98606	0.4
119.04983	0.2
124.03960	100.0
124.99121	0.5
125.04301	0.3
126.05533	0.2
126.09203	0.2
127.08684	3.0
130.05042	0.2
132.95863	0.2
134.05995	0.5
135.04413	0.5
138.05435	0.2
140.03450	0.4
140.07091	0.2
143.00188	0.6
145.02803	0.2
149.04430	0.2
150.05496	0.2
152.07085	0.5
153.07419	0.4
155.08142	0.7
161.01245	0.4
163.03906	1.5
175.11908	0.3
185.01295	0.2
189.00801	0.2
196.06111	0.2
197.09225	2.9
208.14510	0.2
220.08101	0.2
226.07033	0.3
226.15536	0.3
249.02879	0.6
254.06714	0.3
254.10345	0.4
254.15085	0.2
267.03979	0.5
272.07730	11.1
272.11343	0.9
272.15906	1.1
290.12845	0.4
291.84412	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39724	0.3
67.01863	2.0
68.51425	0.3
68.99795	1.5
69.03843	0.3
69.07063	0.7
70.06590	13.8
70.89165	0.3
70.89503	0.8
79.05489	0.3
81.03412	0.3
81.07050	0.5
83.04919	0.3
86.09704	8.0
91.05477	2.1
91.27285	0.3
116.07089	24.1
119.04951	5.5
121.02863	1.9
128.10712	4.6
129.10175	0.3
139.07458	0.4
145.02866	1.5
147.04369	0.4
152.07040	0.6
153.01831	9.6
156.10236	0.5
163.03917	0.7
171.02852	1.0
187.03928	0.5
197.05943	1.0
199.23122	0.3
211.07529	0.4
225.05370	0.6
229.04974	0.8
243.06355	1.6
270.04822	0.9
271.05991	100.0
272.06262	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	271.1905
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03944	3.0
55.01871	3.5
55.05509	38.8
57.03437	31.1
57.07070	2.5
62.87740	0.8
63.13349	0.7
64.68052	0.7
65.03922	1.9
67.05502	58.8
69.03417	1.1
69.07065	32.9
71.04989	11.9
71.23336	1.5
73.06554	1.8
79.05490	23.8
81.03442	0.8
81.07052	88.2
83.04988	3.8
83.08614	21.1
85.02890	1.3
85.06540	9.4
91.05485	20.7
93.07046	22.7
93.07640	1.5
95.04963	2.2
95.08603	100.0
97.06528	14.0
97.10174	6.4
99.08095	3.7
101.06008	1.1
105.07025	17.8
105.07693	1.2
107.08606	7.8
109.06528	2.7
109.10147	13.2
111.08076	3.9
113.06032	0.9
113.09649	2.4
117.07059	1.1
119.04991	0.7
119.08575	22.7
121.10117	4.6
123.08066	4.2
123.11728	2.0
125.09624	1.1
127.07570	1.0
131.08594	1.1
133.10121	13.4
135.11691	9.1
137.09619	2.6
137.13254	7.2
145.10103	1.3
149.13208	1.1
152.07048	0.9
153.06979	2.2
159.11710	1.3
161.13249	26.6
165.05762	0.7
165.06970	3.7
179.14308	10.6
181.06450	1.4
183.08049	1.8
197.15375	1.4
201.46729	0.9
211.07408	1.3
235.08659	1.1
253.09590	0.9
253.17999	3.0
254.14687	0.7
271.05997	6.1
271.09637	4.0
271.19028	52.0
271.23865	1.3
275.42523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0747
Annotation	10-Oxabenzo[def]chrysen-9-one
Peak:m/z	Relative Intensity
53.03933	0.7
56.96558	0.6
57.03411	0.7
58.99578	0.9
61.01160	0.6
67.05483	1.3
68.05011	0.6
69.03423	1.4
70.06600	3.4
70.36236	1.6
70.36653	1.2
72.08134	0.8
76.02223	1.2
79.05479	1.2
81.03413	0.8
81.05786	0.8
82.06599	0.6
84.04498	0.9
84.08102	1.2
85.02892	1.1
94.06566	3.2
96.08118	1.8
98.97557	0.6
105.01055	0.6
106.06543	1.9
109.02902	0.7
110.06042	1.4
110.07163	1.7
114.06597	0.6
122.02709	0.7
122.06020	3.8
123.06818	1.9
124.07585	5.3
125.51881	0.5
125.94334	0.5
133.07613	0.6
134.06017	59.3
135.09137	0.6
136.07594	2.0
138.05498	2.3
140.07051	4.1
141.98103	0.5
146.05998	0.7
147.06770	0.8
148.06371	1.2
148.07620	1.5
149.07109	16.5
149.08305	1.3
150.05505	21.9
152.07068	100.0
153.07430	1.0
154.08543	0.8
156.97462	1.2
161.07085	2.9
161.54143	0.6
162.07945	1.9
163.08664	6.9
164.07091	1.3
166.07396	4.1
167.30971	0.6
168.06618	1.5
173.07095	4.0
174.07883	1.1
175.08676	20.3
175.10150	1.1
176.09453	28.3
177.07872	0.6
184.04338	1.7
186.33498	0.6
191.08173	1.5
193.09830	1.0
194.10356	0.9
198.98488	0.9
207.07599	1.2
209.07475	1.8
219.07654	22.0
219.09822	1.1
220.08469	5.0
225.08694	1.2
227.08487	21.7
237.08743	10.0
238.09406	0.9
253.06490	1.2
271.07507	52.4
271.13608	2.5
272.07458	0.6
282.29495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
51.30093	0.7
55.01865	1.3
55.05510	1.2
57.07049	1.1
65.03919	3.0
67.05490	0.7
67.19008	0.7
68.99793	14.5
69.03400	0.8
70.06567	2.6
71.49667	1.1
72.08138	0.8
79.05479	0.9
81.03413	1.6
81.07039	3.1
83.04961	0.8
84.04496	1.4
84.08138	1.6
85.06507	0.9
86.09705	1.6
89.03883	0.9
91.05492	7.9
93.07085	0.8
98.09698	0.9
99.02378	0.7
99.08044	1.0
103.05450	1.5
105.03368	2.7
105.07006	1.4
107.04942	3.6
109.02847	0.9
109.06563	0.9
109.10183	1.0
111.00814	2.0
111.04372	0.8
115.05431	2.2
119.04916	2.8
119.08584	1.0
121.02870	10.1
128.06200	1.4
129.06972	2.5
131.04884	2.6
131.08554	1.6
133.02859	0.9
134.06023	1.1
135.04416	0.9
137.02345	2.7
141.07004	8.3
144.05722	1.0
145.02827	1.6
145.06470	2.1
147.04395	3.1
147.08049	1.9
149.02342	58.5
152.06085	1.3
152.07126	1.7
153.01819	14.7
153.06958	1.4
155.04877	4.3
155.06003	1.3
156.09485	0.7
157.06525	3.6
159.04424	4.6
159.08009	1.5
160.00516	0.8
161.02242	0.9
161.06027	1.0
161.39594	0.7
162.96806	0.7
165.01797	1.0
165.06903	0.9
168.05641	0.7
169.06482	10.9
173.05962	10.0
181.06467	3.0
182.08513	0.8
183.04410	5.0
183.07976	0.9
185.05980	3.1
187.03807	5.0
187.07527	3.8
193.33067	0.7
197.05975	15.8
198.14925	2.5
200.04704	1.3
201.05452	7.3
203.07007	3.7
211.03899	0.9
211.08710	0.9
213.05547	1.2
215.07030	70.8
225.05426	6.1
226.14412	2.9
227.07079	0.8
229.04980	8.6
243.06528	58.0
253.05016	5.0
271.06000	100.0
271.10785	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	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.66429	0.1
55.05497	0.1
55.38960	0.1
55.73710	0.1
63.64474	0.1
65.03915	0.2
67.01552	0.1
67.01870	1.5
67.05487	0.2
68.99789	1.3
69.07064	0.2
69.84599	0.5
80.11306	0.1
81.03405	0.2
81.07071	0.1
91.05498	1.5
93.07089	0.1
95.04960	0.2
95.08584	0.1
97.02864	0.2
105.07024	0.1
108.12429	0.1
109.02865	0.2
109.06528	0.1
111.00774	0.2
115.05439	0.2
119.04941	4.7
119.05795	0.2
119.08530	0.1
121.02878	1.4
129.01865	0.2
131.04910	0.2
135.04446	0.4
137.02345	0.9
141.07007	0.3
145.02844	1.5
145.06497	0.1
151.03952	0.2
153.01834	10.3
155.03473	0.2
160.07536	0.2
161.02348	0.5
163.03908	1.0
165.07007	0.3
168.24181	0.1
169.06517	0.3
171.02872	0.5
173.05910	0.1
183.08038	0.2
187.03947	0.3
197.05992	0.4
203.07014	0.2
211.07524	0.2
215.06993	0.2
222.25066	0.1
225.05386	0.7
229.04893	0.6
243.06421	0.7
253.04932	0.2
271.06012	100.0
272.06357	1.4
272.42984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
53.12722	0.4
55.01851	1.6
55.05513	0.7
57.07072	0.4
62.77401	0.4
65.03928	0.5
67.01832	0.4
68.99794	23.0
69.03438	0.5
69.07064	0.9
69.44335	2.5
69.44754	0.9
70.06583	1.4
72.08148	0.7
81.03424	0.7
84.08128	1.8
85.02907	0.5
86.09727	2.8
91.05459	1.6
98.20774	0.9
99.40745	0.4
103.05447	1.3
105.07024	0.5
107.08571	0.5
111.00816	2.5
115.05447	2.6
119.04976	0.4
123.04448	0.5
127.05420	0.6
128.06224	1.6
129.07024	2.9
129.10257	1.5
129.54356	0.4
131.04922	3.2
131.08563	0.8
134.06052	0.8
136.07498	0.4
137.02377	1.0
137.05931	0.8
137.70676	0.4
139.05498	0.6
141.06989	7.2
144.05673	0.6
145.06522	2.0
146.06000	0.5
147.04399	1.5
147.08044	0.9
149.02354	0.5
149.07039	0.4
149.72778	0.5
152.06076	0.6
152.07088	1.5
153.06998	1.3
155.04933	8.6
155.06067	0.8
157.06512	5.0
159.04428	5.3
159.07991	0.6
160.05237	0.5
161.05899	1.0
163.03983	0.7
168.08121	1.2
169.06483	10.7
171.09248	0.8
173.05992	21.1
174.65239	0.5
175.03946	0.8
175.07536	1.5
176.09480	0.9
177.05452	1.5
179.04794	0.8
181.06499	1.2
183.04420	8.5
185.05997	4.0
187.03828	13.9
187.07507	3.0
197.05981	21.6
198.06561	0.6
198.09148	0.5
199.08769	3.1
200.04736	1.0
201.05473	20.2
202.06190	0.5
203.03389	0.4
203.07034	9.7
211.03889	1.2
215.07039	12.7
225.05475	10.9
226.06270	1.3
227.11719	0.5
229.04968	21.9
242.05893	0.9
242.08124	6.4
243.06532	21.5
253.04967	8.5
271.06012	100.0
271.10760	5.6
272.06308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
56.96129	0.1
67.01862	1.6
67.05512	0.2
68.99787	1.2
69.07080	0.1
69.31911	0.9
81.07037	0.1
84.08091	0.1
91.05479	1.8
97.02876	0.1
105.07037	0.2
109.02842	0.1
111.00779	0.3
119.04941	5.5
121.02867	1.6
129.01814	0.2
129.06973	0.1
131.04984	0.1
133.10117	0.1
134.06046	0.1
141.07062	0.2
145.02853	1.3
152.07115	0.2
153.01828	11.2
155.04990	0.1
155.08533	0.2
159.04469	0.2
159.28323	0.1
163.03893	0.9
165.07022	0.2
169.06425	0.3
171.02927	0.8
173.06013	0.2
187.03917	0.4
190.61102	0.1
197.05998	0.5
203.07042	0.3
211.04080	0.1
215.07205	0.1
225.05368	0.5
229.04967	0.5
235.97682	0.1
243.06512	0.9
247.06204	0.3
253.04936	0.2
271.06003	100.0
272.06339	1.5
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	Arteincultone
Peak:m/z	Relative Intensity
53.03933	4.4
55.01861	3.6
55.05512	22.0
57.03164	2.4
57.03437	38.5
57.07053	4.3
65.03927	3.3
67.05505	77.9
68.05830	1.2
69.07069	35.2
71.01359	1.2
71.04996	5.8
71.07130	2.2
79.05495	47.0
81.07056	100.0
83.04976	11.1
83.08160	1.6
83.08619	19.8
85.06554	6.7
91.05477	22.9
93.07045	74.8
95.04957	5.9
95.07997	1.5
95.08604	27.3
97.06526	15.8
97.10154	2.6
99.04455	1.2
99.08084	4.9
105.04521	2.2
105.07037	9.6
107.08599	36.6
108.71214	1.0
109.06507	3.9
109.10175	3.3
111.08080	9.9
113.05989	1.2
113.09699	1.7
117.07014	8.7
119.08551	3.3
121.06487	1.7
121.10140	26.7
123.11704	3.5
127.07512	1.2
129.72418	1.1
131.08560	12.8
133.10138	8.7
135.07990	1.0
135.11713	10.6
139.11157	2.0
147.11731	1.7
149.09602	1.5
149.13257	57.3
159.11685	25.0
161.30585	1.0
167.14275	2.5
169.79178	1.1
177.12747	8.3
193.12120	1.1
195.13828	14.7
212.15298	1.1
227.56358	1.1
269.07959	2.0
269.17471	38.5
269.22229	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	3.1
55.01866	2.9
55.05509	22.0
57.03435	37.1
57.07060	5.5
62.48330	1.8
65.03917	3.2
67.05508	81.7
69.07063	29.6
69.86880	1.5
70.06608	2.3
71.04987	7.3
71.49487	1.9
79.05496	53.4
81.03410	4.3
81.07057	100.0
83.04977	12.5
83.08234	1.9
83.08633	21.5
85.06535	5.7
87.58527	1.7
91.05478	30.6
93.07045	80.3
95.04958	6.6
95.08606	31.7
97.06540	17.3
97.10131	3.2
99.04452	1.9
99.08073	5.7
105.07031	16.3
107.08596	39.6
107.87346	1.8
109.06486	4.5
109.10155	8.6
110.07128	2.2
111.08091	13.2
113.09633	2.3
117.07014	9.1
119.08588	6.5
120.08116	2.2
121.06548	1.7
121.10134	26.9
123.08012	2.1
123.11716	4.0
129.07050	2.0
131.08566	13.4
133.10141	11.5
135.08020	3.4
135.11729	11.0
137.06505	2.2
139.11147	2.4
143.08521	3.5
145.10104	5.3
147.11694	5.7
149.13263	55.8
151.11183	2.1
157.10085	5.0
159.11696	26.1
171.11690	4.8
173.13271	3.9
177.12772	10.8
177.78203	1.7
185.13191	3.0
195.13829	13.7
199.14850	4.1
213.16457	2.0
227.18024	3.3
251.20238	1.8
269.04651	2.5
269.08182	5.2
269.11572	2.6
269.17487	47.0
269.22464	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	270.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
56.05033	7.8
56.96571	1.9
57.07061	1.9
58.94859	1.2
67.05487	1.8
68.04678	2.2
68.05033	26.8
68.99787	1.7
69.07076	1.9
70.06596	8.7
71.48961	1.8
72.08169	3.2
74.02441	2.5
74.06121	1.4
74.27892	1.1
79.05495	2.0
81.03437	1.9
81.07059	1.2
83.05035	1.7
83.06108	59.5
84.04517	3.6
84.08147	2.7
85.02887	2.4
85.04025	1.7
86.09703	6.4
88.03992	2.3
91.05495	2.8
94.02950	2.5
95.06081	1.8
98.06048	2.8
107.04943	1.6
109.02901	3.2
110.07149	10.3
111.05591	17.5
112.08723	1.7
112.11199	1.8
114.05544	1.3
114.35531	1.3
116.07057	2.0
116.97243	3.9
118.06493	1.4
119.04967	4.2
120.08116	1.2
122.02383	2.1
122.09644	1.3
123.04457	1.3
124.07581	2.0
125.07956	1.4
129.06638	4.8
130.08676	1.9
134.06029	2.8
135.04440	1.3
136.07588	11.9
138.05531	1.6
139.05035	1.4
140.03471	2.5
147.04469	1.4
150.05464	1.3
150.68256	1.3
152.07086	3.8
153.05446	1.5
155.04976	1.2
156.07703	5.5
166.08679	1.8
167.12660	2.6
169.13451	2.0
173.05954	1.4
178.05051	1.3
181.03279	1.6
183.04181	1.2
196.14485	4.2
197.05945	1.4
199.10812	7.9
201.05493	1.5
206.11972	1.3
208.73082	1.2
211.14548	1.4
218.03267	1.3
224.09163	3.5
224.10983	1.3
224.13976	2.6
226.17427	1.4
234.07462	1.3
234.11275	1.6
234.81215	1.3
242.15012	100.0
243.06612	1.6
252.13162	1.4
270.10004	2.4
270.14468	6.2
270.27942	1.8
271.05884	8.0
271.10620	6.0
279.92892	1.3
287.64194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.04297	1.4
53.03938	3.5
55.01860	4.8
55.05510	20.1
55.28045	1.5
57.03160	2.1
57.03437	41.7
57.07079	6.7
65.03947	1.7
67.05505	81.0
69.07068	32.9
69.34323	10.8
71.04976	5.2
79.05492	48.4
81.03418	2.3
81.07054	100.0
83.04981	10.7
83.08617	18.2
85.06550	7.2
91.05482	25.1
93.07041	72.6
95.04994	6.5
95.08071	2.1
95.08613	29.0
97.06525	16.4
97.10167	2.4
99.08086	5.6
104.79791	1.3
105.07067	9.7
107.08591	38.0
109.06512	2.5
109.10145	4.2
111.08067	10.5
113.05971	2.5
113.09620	1.8
117.07018	10.1
119.08575	3.8
121.10136	27.9
123.11716	2.1
127.07540	2.0
131.08592	10.4
133.10153	7.9
135.08064	2.1
135.11670	10.7
139.11198	2.5
147.11671	2.3
149.13258	60.9
151.11234	1.7
157.10109	2.0
159.11697	19.5
167.14331	3.1
169.98492	1.4
171.11653	2.3
172.50945	1.3
177.12744	10.9
177.69376	1.5
182.15379	1.5
195.13811	12.4
230.00662	1.6
269.17480	38.7
269.22571	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.5
53.60083	0.9
55.01852	2.9
55.05271	1.4
55.05513	22.2
57.03440	35.0
57.07073	6.0
59.05000	0.8
65.03931	1.9
67.05505	84.4
69.03430	1.4
69.07068	33.3
70.06561	1.6
70.83299	2.1
71.04995	6.1
71.08614	1.6
73.02902	1.0
79.05494	48.9
81.03411	2.0
81.07058	100.0
83.04987	11.4
83.08613	17.0
85.02895	1.4
85.06537	8.0
86.09712	1.5
89.78371	1.1
91.05482	26.0
92.57297	0.9
93.07046	74.6
95.04971	6.9
95.08608	32.4
97.06533	15.5
97.10160	3.3
99.08092	4.7
105.04484	1.2
105.07027	9.0
107.04980	2.4
107.08591	36.8
109.06518	3.9
109.10146	7.3
110.07191	1.2
111.08082	10.2
111.11698	1.5
113.06022	1.2
113.09646	1.3
117.07003	11.1
119.08591	4.2
120.08047	1.3
121.06503	3.2
121.10148	25.4
123.08044	1.6
123.11736	4.7
125.09564	1.3
129.07008	1.7
131.08600	11.3
133.10138	12.5
135.08034	1.3
135.11697	9.4
136.06194	1.5
136.87410	1.0
138.81644	1.0
139.11215	2.2
143.08583	1.7
145.10097	2.4
147.11687	4.2
149.09575	1.1
149.13261	47.7
153.09035	1.2
157.10115	2.1
159.11690	25.4
163.07567	1.4
171.11667	1.4
173.13341	1.7
177.12718	10.1
181.06494	1.4
181.10202	1.2
185.13181	1.4
191.62354	1.0
195.13824	11.9
205.12280	1.5
213.14777	1.4
239.12132	1.0
240.12593	1.6
241.13371	2.0
248.54558	1.0
269.04678	1.5
269.08466	3.8
269.13138	1.7
269.17474	41.9
269.22540	4.2
280.07578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01861	0.4
57.03436	0.8
61.23524	0.1
69.03429	0.3
69.92513	0.5
69.92922	0.3
73.02904	0.4
85.02904	0.5
94.04032	0.3
97.02927	0.2
98.21540	0.2
106.05015	0.2
115.03896	0.2
119.03531	0.9
136.06187	100.0
137.06531	0.5
138.05473	0.1
139.05882	0.2
238.83421	0.1
268.08133	0.3
268.10431	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01856	0.2
55.64177	0.2
57.03446	0.2
61.99619	0.2
69.03420	0.2
69.79240	0.2
71.21586	0.3
73.00021	0.2
80.56429	0.2
82.52555	0.2
85.02915	0.4
94.04043	0.6
119.03552	1.1
136.06189	100.0
137.04616	0.5
137.06511	0.3
268.10413	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	268.1334
Annotation	Assoanine
Peak:m/z	Relative Intensity
51.20977	0.5
52.75428	0.5
55.05502	2.0
57.07083	2.4
65.03937	0.7
67.05503	0.9
70.12531	1.2
70.12893	1.0
77.03940	0.6
79.05490	4.5
81.06599	0.5
81.07062	7.6
82.07382	0.5
91.05485	3.2
95.08589	0.9
105.07024	6.0
109.06502	1.0
111.17785	0.5
115.05453	0.5
117.05748	1.7
118.06555	1.4
123.08094	0.5
129.07014	1.4
130.06534	22.5
131.07248	0.7
133.06488	0.7
136.06195	3.5
143.07278	2.3
144.08055	2.7
154.06538	6.8
155.07336	2.7
156.08142	2.3
158.06010	1.8
165.07001	1.4
166.06517	0.9
166.07785	1.2
167.07318	22.3
167.08556	1.0
168.08099	82.1
169.08786	1.6
170.05986	1.2
170.09616	0.6
172.07611	0.5
172.11890	0.5
179.07272	1.6
180.08087	100.0
181.08871	5.6
182.06055	1.7
182.09674	7.6
183.06799	0.8
184.07571	1.7
188.06941	0.5
189.07974	0.7
191.08586	0.7
192.08061	4.2
193.08888	23.6
194.06027	4.5
194.09657	24.7
195.10368	3.0
195.38803	0.4
196.07582	1.7
196.11217	1.1
198.09125	1.1
198.12808	1.4
200.07074	3.0
200.24319	0.5
206.09686	3.9
207.06940	0.9
207.10458	6.1
208.07545	2.5
208.11226	51.4
209.11931	2.3
212.07042	2.8
213.07858	8.5
220.07573	1.2
220.11331	0.6
221.08360	1.5
222.12782	35.7
223.13438	1.3
224.14322	3.9
226.08662	4.1
226.12241	1.4
232.11234	1.0
234.09236	0.7
235.09824	1.4
235.64688	0.5
238.08650	0.7
239.09413	1.7
240.13901	0.8
250.12286	9.3
268.13330	57.5
269.13535	0.7
278.22653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.71670	0.6
53.03734	0.7
53.03954	3.8
55.01860	1.8
55.05513	5.2
57.03439	17.1
57.54802	0.7
65.03936	0.8
66.81812	0.6
67.05505	10.3
69.03424	1.2
69.07066	3.0
69.26087	6.8
71.04984	1.4
73.20876	0.7
78.68014	0.6
79.05496	13.0
81.03419	100.0
81.07065	10.6
82.99628	0.7
83.04991	4.7
83.08626	12.8
91.05486	16.9
93.07050	8.3
95.04376	1.4
95.04972	23.1
95.08610	4.4
97.02895	1.9
97.06542	1.0
97.10159	1.0
105.07035	11.7
107.04944	3.9
107.08558	3.2
107.21508	0.7
109.06509	3.3
109.10152	1.0
111.04446	1.1
111.08073	5.1
117.07022	1.3
117.54887	0.9
119.08585	11.6
121.06512	3.1
121.10142	4.1
122.36299	0.7
123.08067	1.5
123.44836	0.7
125.09616	1.0
125.73875	0.7
128.06261	0.8
129.07013	8.0
131.08577	6.7
132.41502	0.7
133.06497	2.8
133.10109	4.2
137.05980	0.8
137.09608	1.2
142.07805	2.7
145.10149	1.6
147.08054	2.8
147.11703	7.2
149.09654	3.6
157.10138	9.1
158.40211	0.8
165.12787	1.8
175.11180	8.0
193.12242	18.8
199.86063	0.7
211.13257	1.8
249.14862	1.5
267.15927	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	268.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.00378	0.4
55.01868	0.7
57.03435	1.0
64.35465	0.4
70.02953	1.4
70.06589	1.7
71.48405	0.3
71.48813	0.5
73.02916	0.4
74.02439	13.3
74.02863	0.8
79.05498	0.5
84.04501	2.3
84.08150	1.2
85.02905	1.0
85.04832	1.0
88.03990	24.8
89.57680	0.5
91.05490	0.9
94.04012	0.6
95.04942	0.7
97.02847	0.4
98.02419	0.7
107.04955	64.1
112.07581	0.6
113.96393	0.7
116.03461	8.2
119.06290	0.4
120.08119	0.5
121.06514	5.0
122.06837	6.9
124.03929	0.8
124.07603	0.5
130.05003	1.4
131.05302	0.8
133.04971	0.6
134.04486	35.0
136.06183	100.0
138.09128	0.8
139.09529	1.4
140.95966	0.5
150.05421	0.5
151.03229	1.6
152.07025	0.5
163.03906	1.6
164.06992	0.5
166.37291	0.5
176.03407	2.2
179.02695	1.7
181.04366	2.2
190.03162	0.4
194.04410	0.5
194.78227	0.5
206.11716	1.3
222.07559	0.5
222.13179	0.8
232.74068	0.5
243.94949	0.5
250.07115	1.7
251.11079	1.4
268.07800	2.2
268.10400	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	4.7
53.72524	0.8
55.01862	2.2
55.05516	7.1
57.03440	17.0
64.00721	0.8
67.05182	1.1
67.05509	11.5
69.03412	1.8
69.07057	2.5
70.62202	2.6
71.04996	1.5
79.05494	12.9
81.03420	100.0
81.07053	17.5
83.04983	5.4
83.08617	14.2
91.05479	18.1
92.40839	0.8
93.07043	8.0
95.04384	1.3
95.04967	21.3
95.08619	5.7
97.02899	1.7
97.06502	1.5
97.10178	2.0
99.08099	1.4
105.07034	15.4
107.04958	5.5
107.08588	3.5
109.06522	3.3
109.10167	1.1
109.18671	0.8
111.04439	1.3
111.08101	5.9
115.05409	1.8
117.07076	1.4
119.08590	11.8
121.06472	1.9
121.10149	6.0
123.08128	0.9
123.11708	1.2
129.06998	7.5
131.08592	5.8
133.06483	3.0
133.10144	5.0
137.09538	1.0
142.07773	2.3
147.08051	2.1
147.11693	9.1
149.09592	3.4
157.10146	8.3
165.11395	0.7
165.12749	3.4
175.11183	10.1
193.12248	20.4
200.21768	0.9
211.13263	1.8
267.15912	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	267.134
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.05022	2.3
59.80064	0.3
66.74800	0.4
67.59709	0.3
70.88150	0.8
74.06083	3.0
76.92893	0.3
84.04506	24.9
84.83275	0.3
85.02893	0.8
90.64685	0.3
91.02576	0.3
91.05482	2.4
93.07047	5.0
94.94083	0.4
95.04951	0.5
102.05531	1.0
103.05489	3.0
106.52905	0.4
110.14915	0.4
120.04505	0.5
120.08107	1.8
121.06504	100.0
122.06824	0.4
130.04999	15.1
136.06180	0.4
138.09145	15.6
162.66444	0.4
166.08620	1.7
196.61201	0.4
221.12842	5.8
250.10759	15.1
253.23959	0.4
254.36957	0.4
267.13388	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	267.1341
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.03944	0.7
56.05030	1.3
65.03966	0.9
65.98530	0.3
69.91351	1.4
70.06586	0.5
84.04508	30.2
85.02906	0.4
91.05482	4.2
93.07046	7.9
95.04948	1.0
102.05550	0.7
103.05488	4.3
105.04546	0.4
106.86667	0.5
120.04497	0.8
121.06509	100.0
122.06828	0.9
130.05005	9.0
136.06229	1.0
136.28789	0.3
138.09146	39.2
176.03432	11.8
203.11876	0.5
204.10211	7.4
221.12868	4.1
249.12424	0.5
250.10764	24.8
267.06607	0.4
267.09106	0.5
267.13419	11.7
268.08051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79506	0.4
55.05504	0.5
55.18586	0.4
58.30412	0.4
59.05022	0.9
61.02925	1.0
70.88546	0.4
70.94183	0.8
71.04991	1.6
79.05503	0.6
81.07055	2.8
86.09704	0.5
94.04037	1.3
104.78075	0.4
118.28387	0.5
119.03542	3.0
136.06184	100.0
137.04587	0.7
137.06479	0.5
168.06627	0.7
234.13509	19.2
266.16110	46.4
267.16412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1751
Annotation	Ficuseptamine B
Peak:m/z	Relative Intensity
50.23857	0.4
53.03936	0.7
55.05505	1.2
67.05483	1.8
68.71407	0.5
69.03415	0.5
69.07055	0.9
69.78688	0.9
69.79090	1.5
70.06572	0.8
78.96472	0.4
79.05502	2.9
80.05014	1.0
81.03416	0.9
81.06676	0.3
81.07067	3.8
82.06577	0.8
82.23560	0.4
87.83406	0.4
91.05479	0.8
93.05733	0.7
93.07034	1.0
94.06570	1.0
95.04948	0.6
95.08616	2.3
100.11274	0.7
101.89620	0.3
105.07040	0.9
107.08565	0.9
108.08095	1.2
109.06554	0.5
109.10135	0.7
112.07587	0.9
116.03470	0.6
119.08563	0.8
120.08131	2.1
122.09627	0.7
133.10080	0.6
136.07635	0.6
136.11185	1.5
147.11620	0.6
150.09196	0.8
154.12256	1.8
162.12798	0.8
166.04973	1.3
167.05736	1.0
168.06668	0.6
176.10777	0.4
176.14365	0.7
178.12303	0.6
181.07329	0.6
182.08130	11.8
192.13808	1.4
194.08127	5.8
194.11786	1.0
195.08904	1.7
196.09703	4.4
196.13339	0.8
196.67632	0.4
222.11327	1.4
224.12813	37.1
266.17511	100.0
267.11951	1.0
267.18008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40604	0.2
52.65315	0.2
55.05499	0.7
59.04996	1.1
61.02928	1.2
67.05509	0.3
69.43004	1.8
70.06583	0.7
71.04996	3.9
71.08635	0.2
72.08158	2.4
73.08479	0.6
74.99210	0.2
78.88351	0.2
79.05502	0.6
81.07050	3.6
84.04504	0.4
84.08134	0.5
86.09713	0.6
86.55325	0.2
87.08073	0.4
94.04050	0.6
99.08099	0.4
112.21042	0.3
113.09635	1.0
119.03551	2.0
119.04892	0.3
124.07560	0.3
129.10214	0.4
130.06500	0.3
136.06184	100.0
137.04602	0.9
137.06651	0.3
144.08064	0.4
147.04416	1.0
150.05486	1.1
150.07712	0.4
168.06535	0.7
170.83740	0.2
220.13519	0.5
234.13484	1.4
248.12872	0.6
248.15057	0.9
266.13870	2.2
266.16168	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	266.1387
Annotation	Salinosporamide D
Peak:m/z	Relative Intensity
53.15476	0.4
53.85020	0.4
56.05039	0.5
62.01789	0.5
65.20879	0.5
67.05495	1.8
69.60236	2.7
70.06593	1.6
72.08147	0.5
77.50264	0.4
79.05500	0.5
81.03410	0.6
84.04514	0.7
84.08131	1.1
86.09699	1.1
87.00835	0.5
94.06571	6.7
98.06029	0.5
100.27351	0.4
103.35381	0.5
105.07069	0.4
106.06542	1.2
108.04433	0.5
110.06032	1.8
110.07203	0.5
111.06367	0.5
113.06122	0.4
119.08575	0.5
120.04455	0.6
120.08094	1.2
122.06038	8.8
123.06818	13.1
123.07690	1.0
124.07627	0.5
126.28996	0.4
134.06001	2.4
134.96722	0.4
136.06154	0.6
136.07600	0.8
138.05504	32.2
140.07059	0.8
147.04370	0.6
148.07538	0.5
150.05508	33.4
151.06294	16.5
152.07074	2.8
153.07785	0.5
160.07570	1.1
163.03937	1.5
164.07201	0.7
168.06566	100.0
169.07341	5.2
176.07115	1.1
188.06964	0.5
192.10336	0.5
200.10722	0.7
202.12175	0.9
214.08652	0.6
220.09959	0.5
220.13364	5.0
230.11794	1.7
248.09033	0.7
248.12865	8.4
266.13873	47.6
267.14212	0.9
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
55.05510	7.0
56.96580	0.4
58.39172	0.3
60.04488	0.3
62.41597	0.3
65.03947	0.3
67.05473	0.5
69.03436	0.5
70.06577	0.7
71.50802	0.4
71.89742	0.4
72.08145	0.5
73.06555	21.9
79.05499	1.0
81.03410	0.5
81.07045	0.4
84.04522	0.7
84.08139	0.4
86.09700	0.7
88.03999	0.7
91.05477	1.5
93.07043	1.3
95.04939	0.5
95.08625	0.6
96.37280	0.4
98.97559	0.4
99.05553	0.4
102.05544	1.2
103.05453	4.3
105.07022	0.6
107.04942	1.7
108.38538	0.3
119.08536	0.3
120.08104	100.0
121.08454	1.2
121.10105	0.4
126.28365	0.3
131.04947	2.6
131.08650	0.4
133.03239	0.6
146.06003	0.6
148.06056	0.4
149.05965	1.6
152.95895	0.3
166.08635	34.2
188.90884	0.3
220.13280	5.9
228.56255	0.4
248.13068	0.7
250.24187	0.4
266.11749	0.6
266.13885	2.6
266.18030	0.5
266.20966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	12.2
55.05510	22.4
56.05029	10.9
57.03448	11.0
61.02929	6.4
63.92647	6.1
65.03952	10.1
67.05489	31.3
69.03434	57.6
69.34762	30.3
69.35187	19.9
70.06595	12.3
71.04984	10.2
72.08163	26.3
79.05495	28.4
79.33189	6.3
81.03422	7.5
81.07058	29.4
83.04990	13.0
84.08147	17.4
85.02897	35.1
86.09720	12.8
86.46303	5.7
87.04465	5.8
91.05485	65.4
93.03407	6.4
93.07053	41.8
95.04977	45.1
95.08602	25.8
97.02888	18.3
97.06548	11.6
97.59164	6.0
98.53335	7.2
99.04459	6.9
105.03386	17.1
105.07033	74.4
107.08608	27.3
109.02879	11.3
109.06525	41.8
109.10130	12.8
111.04456	44.5
111.08097	12.8
112.08713	7.0
113.05997	14.7
114.10324	33.9
115.03878	7.0
115.05473	13.1
117.07020	25.2
119.04951	7.1
119.08585	95.9
120.08117	18.7
121.02876	21.0
121.06497	40.2
121.10159	18.9
122.07178	31.7
123.07999	41.9
128.06252	8.6
129.07007	22.4
131.08562	48.6
133.06525	11.3
133.10149	16.3
135.08066	100.0
135.11714	7.2
136.06186	19.9
137.09630	12.1
139.03909	14.9
139.07527	8.1
141.07025	14.6
142.07741	7.0
143.08545	22.2
144.04730	7.6
144.05746	7.8
144.09357	12.8
145.06517	16.5
145.10139	44.0
147.08080	41.5
147.11697	7.7
149.09698	13.2
151.07549	7.9
154.10992	13.3
155.08514	9.8
156.09428	7.9
157.10172	22.5
158.07254	32.3
159.08104	39.5
159.11650	44.3
161.09581	40.4
165.09108	30.1
167.22226	6.1
169.10117	7.6
171.08003	8.6
171.11690	9.9
172.08797	20.3
173.09631	28.1
173.13295	11.7
175.07544	86.5
175.11160	40.8
175.13374	14.5
176.14395	18.2
183.11707	13.0
185.09612	13.3
186.10362	12.3
187.11176	49.6
189.09161	10.0
189.12798	12.7
193.08665	26.4
199.11185	14.6
201.12715	41.3
203.10677	53.9
205.12117	10.3
211.11218	21.3
217.12256	25.1
229.12190	31.2
235.13385	11.6
247.13438	46.6
264.23291	25.9
265.11380	16.8
265.14691	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	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04112	0.1
65.46295	0.2
68.22279	0.2
70.05251	0.7
75.98884	0.1
82.99835	1.2
85.45919	0.1
86.37161	0.2
101.00880	7.4
111.00501	0.2
116.98862	0.4
119.01920	7.2
122.97844	0.4
134.99901	0.6
137.02943	0.6
140.98825	2.5
157.01910	0.2
158.99901	5.7
159.99982	0.2
165.99663	0.2
175.02986	0.5
177.00954	16.5
178.01073	0.4
181.01802	0.2
182.99902	1.8
193.04106	0.2
195.02042	0.2
199.03078	0.4
201.00934	4.7
202.01048	0.2
217.04060	2.6
219.02008	20.3
219.94522	0.3
220.02130	0.7
221.01987	0.2
225.00812	2.3
225.02748	0.2
227.99670	0.2
234.00671	0.4
243.01997	16.1
244.02087	0.4
261.03061	100.0
262.03192	2.5
263.03586	0.3
266.00302	0.2
266.03519	0.2
269.11615	0.2
284.04642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14132	2.5
53.03942	6.8
54.36231	2.4
55.01865	4.6
55.05504	8.5
56.05030	3.5
56.34399	2.5
57.07071	3.2
63.36403	2.7
65.03934	7.7
67.05507	18.9
69.03429	17.1
69.07079	5.1
70.06593	20.2
71.05006	4.8
72.08158	31.3
74.00092	2.5
79.05488	11.1
81.03411	3.4
81.04533	4.4
81.07050	10.7
83.04997	5.7
84.04494	14.4
84.08143	31.1
85.02901	8.8
86.09703	21.8
87.04444	3.2
91.05490	38.8
93.03349	2.9
93.07037	26.1
95.04976	30.4
95.08614	9.5
97.02913	3.7
97.06523	4.8
99.04475	3.1
103.05508	6.1
103.07587	2.7
105.03394	100.0
105.06383	5.0
105.07033	43.2
107.04937	2.9
107.08584	8.8
109.06532	17.8
109.10166	8.7
111.04457	14.7
111.08071	5.9
113.06009	6.7
114.10295	3.5
115.05455	3.4
116.06286	3.3
116.07082	5.1
117.07044	7.8
118.06540	17.9
119.04953	6.0
119.08591	45.7
120.08119	44.5
121.02872	7.4
121.06502	28.1
121.10153	8.8
122.07181	22.3
123.08018	14.5
124.07648	2.7
125.10824	5.1
126.09164	5.4
128.06198	5.8
128.99875	2.2
129.06975	9.1
129.10355	2.6
131.08562	21.5
133.06468	5.7
133.10136	9.9
133.19707	2.6
134.05984	7.3
134.09645	4.2
135.08069	45.1
135.10019	7.6
136.07590	20.2
137.09598	6.9
139.03922	7.9
139.07570	5.3
140.65813	2.7
141.07045	4.6
142.07797	6.0
143.08597	8.9
144.04779	3.8
144.09300	5.1
145.06493	5.1
145.10136	19.0
147.04369	3.5
147.08064	22.2
147.11652	8.8
149.06052	3.9
149.09637	5.7
151.07478	4.1
153.07037	2.9
155.08534	6.3
157.06435	2.9
157.10120	13.9
158.07292	12.3
159.08055	18.5
159.11707	22.6
161.09599	19.7
161.10757	3.1
161.13210	3.5
162.09128	47.8
163.12343	9.1
165.09114	15.9
168.09381	5.2
169.10008	4.8
171.11708	3.3
172.08829	9.5
173.09633	11.3
173.13254	11.6
174.09157	4.1
175.07562	39.2
175.11053	16.2
176.10730	18.4
183.11819	5.6
185.09521	4.0
186.10269	3.8
187.11220	20.2
189.08981	4.0
189.12738	6.0
193.08620	10.4
193.10237	3.5
196.08995	3.7
199.11240	4.6
201.12560	15.8
202.08617	5.5
203.10577	21.6
205.13387	12.2
207.10300	3.7
211.11185	9.5
217.12218	14.7
219.13521	3.9
219.15268	5.1
229.09956	5.9
229.12248	9.8
234.26158	2.9
235.13194	3.2
247.10745	6.0
247.14629	19.7
265.15634	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	2.4
55.01871	1.4
55.05508	14.6
57.07072	11.8
57.20512	1.1
60.03005	1.0
61.87789	0.9
62.56010	0.9
65.03922	2.8
67.05504	79.1
69.07069	15.4
69.60912	6.3
70.06575	1.0
71.04981	2.2
71.08631	8.0
79.05489	21.6
81.07056	100.0
83.04971	1.7
83.08621	13.3
85.06554	5.0
85.10169	3.1
91.05479	18.1
93.06492	1.9
93.07046	24.2
95.04994	1.6
95.08607	89.4
97.06499	6.9
97.10181	6.3
98.21496	1.8
99.08102	5.0
105.07035	13.5
106.63576	0.9
107.08600	15.9
109.06529	2.2
109.10157	43.7
111.08092	4.9
113.09644	4.2
119.08590	13.7
121.10136	15.1
123.08044	3.4
123.11707	20.1
125.09626	1.2
127.11211	1.5
130.46338	1.0
131.08595	1.1
133.10124	15.4
135.11674	9.2
137.09599	1.9
137.13252	7.3
139.03711	0.9
141.12727	1.2
143.08574	2.5
147.11684	9.6
149.13257	9.9
151.11163	1.6
151.14819	7.9
155.14276	1.1
157.10123	2.6
161.13243	10.5
163.14838	7.4
163.66840	0.8
165.16420	9.0
171.11713	1.4
173.13373	1.1
175.14857	8.5
177.16365	2.1
179.17957	4.4
189.16405	3.5
193.10202	1.3
203.17799	1.4
203.69107	0.9
207.11642	1.7
211.32291	1.1
217.19470	1.4
219.11763	1.5
233.13277	1.6
245.05023	1.1
245.18921	1.2
245.22644	30.6
248.15741	1.1
253.04568	1.2
258.52707	1.0
263.18228	5.7
263.23697	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	263.1389
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.46718	0.4
55.05502	1.1
56.05006	0.5
58.99583	0.8
59.04371	0.5
61.69209	0.5
65.06988	0.4
66.90168	0.4
68.20022	0.4
70.06593	34.7
70.24127	1.7
70.69405	0.4
71.04994	0.5
72.08132	0.6
74.69766	0.5
78.67054	0.5
80.70155	0.4
80.85779	0.4
81.03408	1.1
81.07072	0.5
84.08165	0.8
84.08943	0.9
86.09695	1.6
86.99093	0.6
91.05473	1.7
93.07054	2.4
98.06046	0.6
103.05453	6.3
110.07149	1.6
114.05540	0.5
116.01700	1.0
116.07092	80.5
117.01974	0.5
118.21397	0.4
120.08105	100.0
121.08443	0.5
130.06509	1.0
144.08057	0.6
157.07620	1.8
158.06026	0.9
162.02232	0.6
163.02513	0.5
167.14392	0.5
175.08749	1.2
185.07109	1.0
186.09204	0.6
217.09628	0.7
217.13455	0.4
232.09723	0.7
245.12889	1.7
246.11331	0.6
263.05634	0.8
263.09256	1.7
263.13943	12.4
263.16470	0.6
266.65527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05503	16.5
56.49134	3.3
57.07061	13.7
67.05497	29.8
69.07059	30.6
69.90884	12.0
71.04982	7.8
71.08604	4.4
79.05487	16.1
81.07056	87.4
81.20313	3.3
83.08609	16.7
85.06498	5.7
90.73978	3.4
91.05479	9.5
93.07043	29.7
95.08612	100.0
96.46171	4.0
97.06514	4.6
97.10155	12.2
99.08069	5.2
105.07037	20.8
107.08578	39.1
109.10158	69.2
111.08083	4.5
113.09655	11.6
118.43483	3.4
119.08598	24.1
121.10141	35.2
123.11715	33.2
133.10121	22.7
135.11723	28.3
137.13246	25.8
139.11159	6.3
147.11679	15.9
149.13272	39.1
151.14810	4.1
152.43852	4.1
157.54416	3.9
161.13254	13.4
163.14874	18.5
175.14816	15.2
189.16412	24.4
203.18044	6.1
204.28116	3.9
205.19565	15.0
245.22665	61.4
263.23709	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.128
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
53.03944	2.0
54.13124	1.3
55.01853	3.4
55.05499	4.2
64.37048	1.4
67.05502	9.9
68.11366	1.4
68.99770	2.7
69.03436	8.9
69.07074	1.7
70.06587	3.7
70.46294	3.0
79.05484	8.8
81.03405	1.4
81.07060	13.2
83.04981	18.2
85.02908	16.1
85.06567	1.9
91.05476	14.9
93.07056	9.9
95.04971	6.7
95.08585	6.3
97.02900	3.0
97.06502	2.5
103.05470	2.4
105.07034	23.6
107.04962	3.3
107.08596	16.4
109.02885	4.1
109.06533	9.1
109.10166	7.4
111.04440	2.8
111.08105	1.7
113.01599	2.8
113.02370	39.7
115.05428	4.7
117.07002	8.6
119.04958	3.0
119.08591	11.8
121.06487	6.2
121.10127	5.2
123.04446	4.3
123.08064	5.9
123.11723	5.5
125.05909	1.8
128.06215	3.4
129.06992	6.6
131.04916	3.7
131.08562	6.3
133.06491	12.8
133.10129	7.8
135.08058	27.5
135.11583	1.6
137.05943	3.4
141.06990	4.0
142.07788	6.8
143.08591	8.8
144.05705	1.4
145.06471	3.8
145.10132	5.6
147.04311	1.8
147.08090	9.8
147.11661	7.5
148.08769	1.7
149.05936	2.0
149.09642	12.8
151.07549	2.2
151.11192	20.5
153.07027	1.6
155.08566	3.8
156.09363	14.9
157.06454	2.8
157.10201	7.7
158.07277	2.6
159.08063	6.2
159.11673	4.2
160.08861	3.5
161.05991	22.0
161.09648	8.0
161.13255	2.2
163.07555	7.7
165.06950	1.9
165.09100	1.8
166.07770	4.7
169.06508	2.7
171.08080	4.5
171.11679	12.9
172.08780	2.6
173.09669	5.0
173.13310	2.4
174.10461	3.8
175.07498	11.5
175.11162	19.6
177.09132	3.6
177.12776	2.4
179.07114	8.1
179.08501	2.4
181.10095	6.4
184.08829	10.2
185.05884	2.1
185.09612	6.4
187.07492	4.4
187.11195	7.2
188.08301	4.9
189.05489	8.4
189.09111	3.5
189.12773	11.8
193.08623	4.9
197.05945	2.5
199.11200	29.3
201.12738	2.2
202.07747	4.5
202.09900	7.4
203.06923	1.9
203.10683	26.3
207.06540	6.8
209.09653	4.2
212.08411	7.7
217.10228	3.4
217.12210	32.5
219.13757	2.1
220.08878	3.5
227.08589	3.0
227.10681	36.0
235.11160	5.9
235.13379	2.3
245.09624	6.3
245.11743	87.3
248.08362	3.4
263.10562	14.9
263.12817	100.0
263.16397	19.9
263.23752	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01856	1.1
55.05512	13.2
57.03423	1.4
57.07079	4.9
59.39547	0.6
60.00455	0.7
65.03912	1.0
67.05505	41.8
69.07069	13.4
69.17474	0.6
69.17807	6.4
71.04977	2.3
71.08618	1.7
76.07265	0.7
77.03912	1.4
79.05493	52.1
79.55023	0.6
81.07054	45.4
83.04974	1.4
83.08220	0.7
83.08624	7.1
85.06550	4.5
86.54498	0.6
91.05483	29.6
93.07045	74.0
95.04952	2.5
95.08607	37.4
95.95679	0.6
97.06523	3.9
97.10199	2.8
98.21623	1.1
99.08095	3.9
105.04556	0.8
105.07032	21.0
107.08597	48.4
109.06488	2.3
109.10162	15.9
111.08068	2.8
111.11723	1.5
113.09634	1.1
117.07014	5.8
119.06071	0.7
119.08584	14.8
121.10146	41.8
123.08065	1.7
123.11714	6.2
125.09608	1.6
127.11135	0.7
131.08571	14.0
133.10133	15.8
135.11694	32.3
137.09613	1.9
137.13240	1.4
139.11102	1.0
143.08540	1.0
145.10130	14.7
147.11687	12.0
149.09708	0.8
149.13261	28.5
151.11139	1.8
151.14812	0.8
153.12726	0.7
159.10475	0.8
159.11697	10.1
161.13258	12.0
163.11220	1.4
163.14830	20.5
165.12743	1.1
173.13280	10.7
175.14876	4.6
177.12782	0.7
177.16423	4.9
179.14317	1.9
187.14836	8.1
189.16406	0.8
191.14290	0.7
201.16400	3.8
203.17969	2.6
205.14238	0.7
205.15909	0.9
215.17944	2.3
217.19370	0.7
219.17436	1.2
228.77588	0.6
233.22633	1.1
243.21092	33.7
261.22144	100.0
262.22586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91586	0.9
70.06593	1.6
70.51678	3.0
82.99835	2.1
84.08121	1.4
87.84718	0.8
89.00891	1.1
101.00879	10.1
113.00853	2.3
116.07124	1.4
119.01918	7.8
127.02443	1.1
131.01904	2.7
137.02902	1.1
139.02451	2.1
143.01907	9.9
145.03458	2.9
155.01926	2.3
157.03448	6.7
159.01384	2.3
161.02965	16.5
161.04208	1.6
164.93102	1.0
167.01874	1.2
173.02969	3.9
173.78006	1.1
175.04613	1.4
181.60364	1.0
185.02972	3.7
203.04034	4.9
221.05020	5.0
232.20082	1.0
239.06123	3.2
263.07614	100.0
281.07208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12564	0.6
53.03931	2.6
55.01866	1.1
55.05507	11.4
57.03423	1.9
57.07074	4.4
59.92853	0.7
65.03939	1.3
67.05502	35.7
69.07067	12.5
69.80556	2.4
69.80965	1.1
71.04984	2.5
71.08604	1.5
77.03925	1.4
79.05492	54.8
81.03429	1.0
81.07054	46.9
83.04967	1.7
83.08627	6.6
85.06530	3.5
91.05481	24.4
91.06022	0.5
93.07041	68.8
95.04975	3.9
95.08605	32.1
97.06535	3.9
97.10152	2.6
99.08073	2.8
105.04507	1.2
105.07026	17.8
107.08591	46.5
109.06511	1.5
109.10149	14.7
111.08061	2.4
113.09637	1.5
117.06312	0.9
117.07015	6.5
119.06078	0.7
119.08572	16.1
121.10139	38.8
123.08051	1.8
123.11697	4.7
125.09618	1.2
131.08568	13.9
133.10135	12.8
135.11687	33.4
135.12724	1.7
137.09668	1.0
137.13235	1.1
143.08542	0.8
145.10123	15.5
147.11691	10.8
149.09636	1.1
149.13252	27.3
151.11122	1.0
151.14832	1.1
153.12703	0.9
159.11697	9.2
161.13234	10.6
163.11174	0.8
163.14813	18.8
165.12706	1.5
173.13260	11.5
175.14795	5.2
177.12573	0.7
177.16367	4.9
179.14244	1.4
184.38216	0.7
187.14821	7.0
189.16412	0.9
201.16446	3.7
203.17981	0.9
205.15833	1.0
215.17934	2.0
233.22714	0.8
243.21056	29.6
244.21538	0.9
261.22128	100.0
262.22498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02390	0.6
53.03942	2.8
55.01873	0.9
55.05510	12.6
57.03435	1.2
57.07071	3.2
65.03940	1.8
67.05502	42.2
69.07068	11.9
69.07376	0.3
69.26423	1.6
69.26852	1.8
71.04993	2.4
71.08617	1.2
77.03939	0.7
79.05490	55.9
81.07053	48.1
83.04978	1.0
83.08619	7.5
85.06544	3.7
91.05480	28.0
93.07041	73.8
95.04967	3.6
95.08606	33.8
97.06516	3.2
97.10167	3.0
99.08083	3.4
105.04501	1.6
105.07027	19.5
107.04930	0.6
107.08591	48.7
109.06501	1.6
109.10153	15.3
111.08075	2.3
111.11746	0.8
111.18343	0.4
113.09611	1.1
115.05430	0.6
117.07024	7.3
119.06108	0.5
119.08578	15.1
121.10140	43.4
123.08065	1.2
123.11706	4.7
125.09615	1.3
129.06990	0.7
130.07788	0.5
131.08566	13.6
133.10132	14.3
135.08089	0.8
135.11685	34.8
137.09581	2.0
137.13255	2.1
139.11217	0.8
141.12488	0.5
145.10115	15.4
147.11687	11.9
149.09604	0.9
149.13252	29.5
151.11208	0.8
151.14818	1.3
153.12756	0.6
159.10458	0.8
159.11693	10.8
161.12219	0.3
161.13254	12.3
163.14822	17.9
165.12782	1.3
171.11671	0.9
173.13263	10.5
175.14815	5.7
177.16394	6.0
179.14333	1.8
187.14787	6.9
189.16359	0.9
191.14294	0.8
201.16335	3.0
203.17953	0.8
205.15858	1.1
215.17989	2.1
217.19589	0.7
219.17416	0.8
220.97414	0.4
233.22710	1.0
237.62083	0.4
243.21080	31.0
248.55052	0.4
261.22131	100.0
262.22400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02365	0.5
53.03948	2.9
55.01863	0.9
55.05512	12.9
57.03431	1.7
57.07079	3.6
61.46550	0.4
65.03940	1.0
67.05505	40.5
69.07071	12.9
69.47900	0.5
69.80746	2.7
71.05007	2.2
71.08618	1.8
72.80956	0.5
73.62331	0.5
73.66753	0.4
77.03928	1.7
79.05493	56.0
81.03413	0.6
81.07058	48.1
83.04985	0.9
83.08620	7.1
85.06545	3.9
91.04903	1.0
91.05484	28.7
93.07046	75.0
95.04969	3.8
95.08607	35.3
97.06538	2.6
97.10177	3.0
98.20789	0.5
99.08097	4.0
105.04517	1.4
105.07036	19.4
107.04935	0.5
107.08595	48.1
109.06527	1.8
109.10157	14.9
111.08077	4.2
113.09643	1.2
116.06220	0.5
117.07026	7.2
119.08585	16.4
121.10146	44.8
123.08073	1.9
123.11696	3.8
125.09622	0.7
125.70528	0.4
129.07056	0.6
131.08562	13.6
133.09140	0.7
133.10133	13.3
135.08086	0.6
135.11690	33.9
136.73569	0.5
137.09639	1.6
137.13257	1.6
139.11194	0.9
143.08582	0.6
145.10127	15.7
147.11682	11.2
149.09612	0.8
149.13258	27.3
151.11203	1.2
151.14778	0.7
153.12737	0.8
159.10460	1.0
159.11684	11.3
161.13264	11.8
163.11194	0.7
163.14825	18.6
165.12817	1.4
165.16435	0.6
173.13275	10.7
175.14861	4.4
177.16373	5.5
179.14293	2.4
187.14835	7.0
189.16345	1.0
193.15860	0.7
196.77106	0.5
201.16344	3.8
203.17693	0.4
205.15935	0.9
215.17953	1.4
217.19492	0.7
219.17484	1.2
233.22641	1.2
243.21083	30.9
244.21333	0.7
261.22134	100.0
262.22540	1.1
280.83304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
55.05507	21.0
57.07059	2.6
59.04986	5.1
67.05492	8.9
69.07069	10.5
69.63787	1.2
70.55576	1.7
70.55928	4.0
71.04981	3.8
72.38194	1.4
73.06532	2.0
76.30377	1.2
79.05499	11.5
81.07053	34.0
83.04977	4.2
85.06525	5.2
91.05474	16.5
93.07040	19.3
95.08603	16.1
97.06477	1.6
99.04436	7.4
99.91813	1.4
101.06023	7.9
103.05457	2.6
105.07029	83.3
107.08589	22.4
109.06504	2.0
109.10155	9.8
113.89782	1.3
117.07005	7.3
119.08576	73.0
121.06505	1.7
121.10143	32.0
123.04401	2.5
123.08047	2.0
123.11707	1.7
127.07478	1.4
129.07007	1.6
131.04929	1.5
131.08563	10.8
133.10143	16.1
135.08044	3.3
142.07758	1.4
143.08556	6.8
145.10123	32.6
147.08167	1.6
147.11682	66.7
149.09604	3.3
153.09077	2.3
155.08499	2.4
157.10193	6.8
159.11674	14.7
160.12473	4.2
161.09592	1.6
161.13229	12.0
163.11111	1.9
167.10709	1.5
169.10135	8.8
171.03160	1.7
171.11667	3.5
173.13243	5.9
183.11687	5.5
185.13223	1.7
187.11180	4.5
197.13301	3.2
199.14864	2.7
201.12756	4.8
201.16376	18.9
202.12256	1.7
205.12245	2.9
215.14230	2.2
215.17859	3.1
225.16356	15.8
232.09657	1.6
243.17448	10.2
246.11212	5.6
247.12111	3.6
261.11163	2.3
261.18497	100.0
262.14377	32.9
262.18488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
53.00285	0.5
55.01870	0.7
55.05499	0.5
56.05030	1.5
67.05502	1.0
68.74072	0.5
68.99781	0.8
69.03433	0.8
69.07061	1.6
70.06597	2.1
71.05009	0.6
71.50073	0.7
73.02911	0.6
81.07050	0.5
82.83327	0.5
84.04504	58.7
84.08152	3.6
85.02895	3.4
85.08464	1.1
86.06068	3.4
86.09706	100.0
90.71839	0.6
93.07056	0.7
95.05006	1.1
96.04507	0.5
97.02921	0.5
98.97582	0.6
102.05546	1.7
107.04951	1.3
109.26804	0.6
110.07161	0.5
114.05550	2.1
119.04927	0.6
119.41489	0.5
120.08125	1.8
123.04414	4.2
125.66776	0.4
130.05013	9.9
130.06502	3.2
131.04922	1.3
131.08591	0.6
131.20261	0.5
132.10202	50.3
135.04396	1.0
137.02414	0.6
141.71669	0.5
142.05013	5.7
144.08081	0.6
145.06497	0.5
146.06081	0.7
148.06070	1.5
149.05975	0.8
151.03931	4.8
152.10739	1.6
158.06029	2.2
159.09250	0.6
160.07655	1.1
169.08647	2.8
170.11798	0.8
177.05623	0.6
198.11252	11.3
201.05463	0.6
215.07111	0.8
243.11491	1.0
243.13542	0.9
244.11809	10.1
261.04028	1.0
261.07764	3.2
261.13217	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	261.1448
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
56.05029	1.3
56.96576	0.7
58.06622	0.5
58.99582	0.4
63.16737	0.3
67.05505	0.9
69.03442	0.6
69.07065	5.0
69.72417	2.2
70.06597	2.5
71.05000	0.4
72.08153	1.0
79.05490	0.5
79.05973	0.3
81.03416	0.8
81.05790	0.5
81.07064	0.9
84.04507	8.8
84.08149	6.9
85.02908	1.4
85.08521	0.4
86.06073	1.1
86.09708	100.0
87.10043	0.9
88.04004	0.7
91.05457	0.7
93.65401	0.4
96.04494	0.6
96.08122	1.4
97.02870	0.7
98.06104	0.4
98.97608	0.6
98.98465	0.8
99.02657	0.4
100.02221	0.6
101.00892	0.4
101.04258	0.8
102.01760	1.4
102.05540	4.0
110.06072	0.9
114.05543	0.8
116.07103	0.8
119.01906	0.5
124.07598	12.6
125.08350	0.5
127.02148	0.4
127.03888	0.5
129.10258	1.0
130.05028	5.7
130.06560	0.9
130.08658	1.6
131.01938	0.5
133.01695	0.8
136.07585	0.8
140.07048	2.0
142.08643	0.4
146.02762	0.5
147.01547	0.4
148.02283	1.2
148.06056	19.7
151.03909	0.5
158.06059	0.9
161.02989	0.5
167.08180	0.6
171.04874	0.4
172.04279	4.0
174.05864	1.7
202.15251	0.4
215.13890	2.0
243.07849	0.5
243.13524	0.7
244.06500	0.8
261.03278	0.6
261.05896	0.6
261.09610	6.2
261.14459	11.1
261.18277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.05498	1.0
56.05028	0.7
61.01136	0.3
66.80254	0.3
67.05495	0.9
68.99782	0.4
69.03427	0.4
69.07064	0.8
70.06593	2.8
71.49175	0.4
72.08139	0.4
73.02903	0.3
79.05489	0.5
81.03413	0.7
83.08617	0.5
84.04511	6.5
84.08142	2.5
85.02914	1.6
86.06071	0.5
86.09708	10.9
91.05486	1.1
93.07066	0.4
95.04972	0.8
95.08584	0.5
98.97573	0.4
103.05440	0.6
105.06979	0.4
107.04951	1.5
110.07150	0.6
119.08564	0.5
120.08096	1.2
123.04433	4.8
123.08039	0.8
127.03915	0.8
129.10234	0.8
130.04993	1.2
130.06496	1.1
131.04907	1.4
131.06871	0.9
132.10220	4.8
135.04411	0.9
136.05156	0.4
136.07585	0.7
142.05013	0.4
146.05940	0.9
147.04445	0.5
149.06024	0.8
151.03915	6.4
154.58046	0.3
158.06030	0.8
158.07843	0.4
160.07585	0.6
169.06483	0.6
170.06004	1.0
170.62404	0.4
173.06055	0.8
178.47404	0.3
188.07115	1.5
197.06044	1.0
198.11296	0.7
199.11145	0.6
200.75107	0.3
201.05441	0.4
207.05888	0.4
215.06953	0.7
221.98405	0.3
243.06375	0.4
243.11497	0.8
261.07513	4.7
261.13095	100.0
262.13394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06073	0.5
56.96537	0.4
58.99588	7.5
64.39625	0.4
65.11618	0.4
67.05511	6.7
69.03419	1.1
69.07070	20.3
69.82945	1.1
69.83338	1.1
70.06563	0.6
76.02222	2.5
84.04512	0.7
84.08143	1.2
86.09706	1.0
95.04966	0.5
98.97556	0.6
99.02675	3.2
101.04244	40.6
109.02943	0.5
110.06038	1.1
112.07616	2.4
122.02728	0.4
123.04436	0.8
127.02149	5.0
127.05814	1.1
129.03670	1.9
130.06558	1.3
134.89128	0.4
138.05487	0.9
140.07079	5.5
149.06129	0.4
151.03862	0.5
152.05280	0.7
155.01628	1.2
158.06032	2.1
170.06369	1.8
172.04276	100.0
173.04587	0.6
180.04802	0.7
197.07408	2.0
198.05862	2.1
215.08496	6.7
222.95631	0.6
244.06424	9.7
261.03952	0.6
261.09119	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	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56839	0.2
56.96564	1.2
67.26619	0.2
70.32405	0.9
71.95251	0.3
81.81689	0.2
82.99831	1.0
84.96027	0.3
98.97582	9.2
100.97182	0.7
101.00884	6.5
102.96835	0.5
110.97516	0.3
116.98619	3.4
119.01922	5.9
120.01960	0.3
122.97764	0.4
128.98595	0.2
134.99760	0.7
137.02980	0.7
140.98778	1.3
143.00183	0.3
143.01913	0.6
158.99881	4.3
161.02957	0.6
170.99648	0.3
171.01366	0.2
173.01314	0.4
176.52347	0.2
177.00952	12.1
182.99835	1.5
189.00670	0.2
201.00929	4.7
209.98567	0.2
217.04091	2.6
219.01997	18.3
220.02138	0.8
221.01953	0.4
225.00871	2.8
227.99565	0.2
234.00708	0.4
237.02769	0.3
237.98851	2.0
238.98378	0.3
243.02007	16.4
244.02118	0.6
261.03058	100.0
262.03201	3.4
263.03522	0.4
278.97095	0.4
279.00607	3.2
284.01669	0.2
284.04648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
55.38918	1.2
56.96549	1.8
57.02574	1.1
57.03437	1.5
65.03893	1.2
67.05496	3.7
67.22594	1.1
69.03429	2.9
69.07069	2.1
70.06590	6.7
73.02898	1.5
74.06104	1.6
79.05466	2.1
81.03416	2.2
83.04962	1.6
83.53169	1.4
84.04509	9.8
84.08128	4.7
85.02911	100.0
86.09716	18.3
91.05446	3.1
95.01328	10.6
95.04993	2.6
97.02882	1.7
97.06516	1.8
98.09683	4.8
98.97597	1.7
105.07014	2.4
107.04927	2.3
109.02872	5.5
110.03192	4.1
114.05511	1.6
116.07088	2.5
116.10741	9.8
119.08584	2.1
120.08246	1.2
123.04439	7.6
123.08082	5.0
127.03903	6.9
130.04990	1.6
130.06537	3.0
131.04916	4.0
132.10179	4.7
135.04414	2.0
141.01834	24.5
145.10147	2.1
149.02350	1.6
149.05984	1.6
151.03929	8.6
154.38412	1.3
156.09309	2.1
158.06033	4.5
159.03018	1.7
159.04343	1.7
160.07585	1.5
169.09674	2.5
171.11658	1.7
173.05899	2.3
180.55400	1.4
183.02907	4.6
187.07605	1.4
197.06007	2.7
199.11238	4.0
201.00688	1.5
201.03978	4.6
201.09087	1.4
202.05013	1.4
215.06772	1.8
215.10716	1.4
217.12260	1.8
219.10173	2.1
221.63049	1.4
225.09430	6.4
243.06555	2.2
243.10611	1.8
244.09282	1.2
244.11838	1.8
254.54272	1.4
261.07690	7.2
261.11401	7.1
261.18124	4.2
261.22275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.38638	1.4
55.05507	9.2
57.07066	2.0
67.05531	7.1
69.07069	27.7
69.19238	7.6
69.19666	7.2
71.04988	20.3
79.05483	4.4
81.07057	13.8
83.04971	4.3
83.08613	7.2
85.06547	21.4
91.05500	7.7
93.07047	12.8
95.04972	2.8
95.08615	16.5
97.06523	2.8
97.10146	2.4
98.20798	3.3
102.18426	1.3
105.03362	2.3
105.07024	23.0
107.08592	16.9
109.06504	6.5
109.10157	12.4
111.08048	8.2
117.06990	8.2
119.08587	41.9
121.10159	10.1
123.08051	3.5
123.11717	20.6
129.01833	2.4
129.06992	1.8
130.07773	2.5
131.08549	12.6
133.10136	30.1
135.08041	10.5
135.11679	5.7
137.09599	3.6
141.06935	1.8
143.08569	6.4
144.09343	3.1
144.31313	1.6
145.10124	30.8
147.08061	2.1
147.11691	16.6
149.09590	3.0
149.13231	1.7
156.09297	2.8
157.10139	10.7
159.11676	26.8
160.12486	2.8
161.09625	2.2
161.13251	27.5
163.11157	2.9
167.80574	1.5
170.10941	1.8
171.11703	12.4
173.13272	8.0
175.11249	3.4
175.14818	78.7
176.15584	3.5
177.12741	4.0
177.16365	3.7
184.27440	1.6
185.13292	15.0
186.61719	1.4
189.12708	3.3
189.16350	4.2
190.13513	2.6
191.14333	2.7
199.14783	3.3
201.16408	26.2
203.14366	8.8
215.17932	4.6
217.19539	2.6
241.19551	15.1
259.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29296	0.6
51.78046	0.6
55.30069	0.6
56.05035	3.1
63.36649	0.6
67.05499	2.4
70.06589	1.7
71.48551	0.7
73.55291	0.7
74.02441	100.0
81.07066	0.9
83.06116	0.7
84.04504	97.8
84.08141	3.7
85.02904	1.8
85.04810	0.6
85.06606	0.7
86.09711	2.0
89.31848	0.7
92.40269	0.6
95.04958	1.7
97.02895	0.8
97.06535	0.9
100.02198	6.2
102.05540	2.4
104.24468	0.6
109.29658	0.8
110.06023	0.8
113.05994	4.2
121.02832	1.0
122.09672	1.1
130.05003	45.2
130.08638	46.0
138.05495	1.0
142.03214	1.7
146.02744	2.0
146.21404	0.6
149.02368	1.9
150.09138	17.9
169.08647	2.7
170.02705	1.6
173.07103	1.2
185.05829	0.6
195.11395	0.6
196.09705	20.3
196.11504	1.1
213.05240	1.0
213.07118	3.7
231.06561	1.6
241.11859	2.1
242.10251	8.1
259.05936	2.3
259.12909	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1808
Annotation	(-)-Pseudophrynaminol
Peak:m/z	Relative Intensity
52.00093	0.4
53.50048	0.5
55.01867	1.6
55.05256	0.5
55.05496	3.0
56.96547	0.9
57.07069	0.6
62.97229	0.5
67.05488	1.7
69.03425	2.0
69.07064	2.3
69.42085	1.1
69.42500	3.2
70.06590	1.1
71.04984	0.6
79.05059	0.5
79.05493	1.8
81.03404	0.6
81.07058	3.8
83.01302	0.6
83.08624	1.2
84.04493	1.2
84.08131	0.9
85.02908	1.6
86.09708	2.2
91.05474	1.9
93.07047	1.8
95.04991	0.7
95.08605	2.4
97.02895	2.1
97.06544	1.3
97.10182	0.7
98.09696	1.0
98.20744	0.6
99.08086	1.4
104.16470	0.5
105.07018	2.4
107.04955	2.2
107.08611	1.9
109.02907	0.7
109.10170	1.3
111.04440	0.5
115.05451	1.1
117.07022	1.8
119.08591	1.3
121.06513	0.8
121.10163	0.8
123.04469	0.6
125.09640	0.6
127.03934	0.6
128.06229	1.5
129.07007	6.3
130.06525	4.9
130.08626	0.8
131.08569	1.1
132.08086	5.5
133.10127	1.7
135.11713	0.8
137.05960	0.9
142.06573	0.6
143.07304	2.8
143.08568	4.4
144.08089	100.0
145.08430	1.1
145.10115	1.1
147.11713	1.2
149.02328	1.0
149.13281	0.6
151.03792	0.6
153.07005	1.6
154.06494	1.7
155.06131	0.9
155.07300	3.4
156.08115	14.3
157.10170	0.8
158.09656	26.1
159.11743	0.7
160.07602	0.7
161.13213	0.7
163.03906	1.2
168.08102	7.8
169.08861	3.0
170.09657	58.0
171.09218	0.7
171.11674	0.8
172.10019	0.6
173.10809	0.8
173.13251	0.9
175.07539	0.9
179.29630	0.6
181.06412	0.6
182.09686	1.4
183.10451	0.9
185.05977	0.9
187.10753	1.0
187.12320	16.4
198.09151	0.8
198.12781	1.5
212.14337	14.0
213.09064	1.2
215.07085	0.6
224.14397	2.1
230.15414	17.3
231.06509	1.2
231.10109	1.2
241.04971	0.8
241.09877	1.2
241.17081	7.6
241.19411	0.6
242.15431	4.7
257.04495	1.9
258.37180	0.6
259.06033	6.2
259.10117	2.3
259.10687	2.4
259.13742	0.7
259.15073	0.9
259.18164	12.1
259.20670	1.8
259.24368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.8
70.00894	2.2
70.06578	1.8
74.00643	1.3
79.19811	0.5
80.05031	0.6
84.04483	1.9
84.08154	8.1
85.06572	0.8
97.02865	1.0
100.02209	11.4
112.11244	0.7
120.01136	1.0
123.05536	0.6
129.10199	0.6
143.11774	1.0
146.02722	9.6
154.12227	1.1
182.19774	0.6
213.06958	3.4
213.12332	2.3
259.07895	100.0
259.16653	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	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
54.03465	0.5
54.42124	0.5
55.01872	5.7
55.05511	5.3
56.05036	49.3
57.03399	0.7
58.99295	0.9
58.99585	16.4
60.04519	2.0
61.01154	2.9
67.05502	1.7
68.05026	6.6
69.07065	0.9
69.78072	1.9
69.78481	1.3
70.02953	8.3
70.06585	1.6
70.99587	4.8
72.08157	0.7
73.01129	3.5
73.79902	0.6
74.00648	1.4
74.02441	2.6
76.02229	2.4
76.04007	5.6
79.05492	12.7
80.05019	5.5
81.05800	2.3
81.07050	8.2
82.06557	2.1
83.08598	1.1
84.04498	9.4
84.08162	3.0
85.01128	24.4
86.00656	13.8
86.09713	1.1
86.99055	8.3
87.02702	7.7
88.02208	5.0
88.03996	1.1
91.05482	0.7
93.05781	1.2
93.07037	2.3
94.06566	7.8
95.01329	0.9
95.07361	1.4
95.08595	2.2
96.08139	7.6
97.01116	6.1
97.02872	0.8
97.08935	1.1
98.09695	74.8
99.05567	2.1
100.02204	1.0
100.04017	0.7
102.05543	15.0
103.05550	0.8
105.07019	2.7
107.07336	0.8
108.08114	6.4
109.08891	1.9
110.09676	16.0
111.02641	1.0
112.03970	9.5
113.04234	33.8
114.03767	4.7
114.05521	1.4
115.05805	1.2
116.01679	30.8
116.03435	0.9
120.08136	1.0
122.09669	8.9
123.10461	1.8
130.04993	7.8
130.06863	8.6
130.08623	5.7
135.04413	0.6
137.32248	0.6
139.05742	2.8
143.02734	4.3
144.01134	6.4
145.06079	6.4
149.02319	1.6
156.08427	50.6
156.10202	62.2
157.10391	0.6
162.02202	6.8
163.03932	1.3
171.02428	0.7
177.03149	0.7
184.07954	1.3
185.05972	0.9
188.03809	2.7
189.03235	4.6
213.05527	1.6
213.10545	1.9
216.06905	16.3
231.06485	2.6
242.08421	4.8
259.05908	3.1
259.11124	100.0
260.11401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
56.06466	0.7
57.03426	1.1
61.02880	0.9
62.98259	1.6
67.05498	1.6
69.03438	4.0
70.06578	3.2
71.04983	0.7
71.47733	1.5
73.02860	0.8
74.02431	1.9
77.30481	0.9
81.03409	2.4
82.99816	0.9
84.04491	3.6
84.08146	16.0
85.02894	3.3
88.03970	1.3
93.59305	0.8
95.01332	1.1
95.55807	0.9
97.02300	1.0
97.02899	12.6
97.06525	1.1
100.02200	5.8
101.00880	8.4
104.10755	1.0
105.07026	0.9
105.11070	1.9
109.02882	1.0
110.07937	1.0
112.11249	2.4
115.02448	0.8
119.01938	14.2
120.02038	1.0
120.08102	0.8
127.02435	1.1
127.05028	1.1
129.02126	0.7
130.04991	2.0
131.01875	1.3
137.02979	1.6
138.09215	0.9
140.01538	0.8
143.01898	3.5
143.11800	1.3
145.03465	5.4
146.02704	4.1
154.96936	2.5
161.02968	5.3
169.03419	1.5
171.15965	0.9
172.00661	2.4
173.02924	0.8
178.04808	1.1
187.04585	0.9
189.02339	1.0
195.07784	0.8
195.11275	1.6
213.06909	2.6
213.12460	2.8
213.14331	0.8
217.01984	2.5
219.80357	0.9
231.03163	0.9
241.03026	0.9
241.08409	0.9
242.06671	0.8
259.07901	100.0
259.12976	4.1
259.16962	2.7
260.07745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.31167	1.2
52.52872	1.1
55.05502	4.6
57.07063	2.9
66.13399	1.0
67.05515	7.4
69.07072	5.8
70.09908	6.1
71.04978	4.2
72.08125	1.2
79.05492	5.8
80.27453	1.2
81.07053	7.0
83.04983	2.4
83.08625	2.6
85.06537	4.1
90.09187	1.2
91.05484	7.0
93.07048	14.2
95.04973	2.6
95.08607	12.5
97.06551	1.7
98.20777	1.3
99.08057	1.6
103.05505	1.3
105.07031	28.3
107.08604	15.9
109.06529	6.4
109.10146	10.6
111.08080	1.8
117.07017	5.0
119.08593	20.3
121.10145	77.5
123.08037	4.2
123.94797	1.1
128.06187	2.7
129.06993	4.5
130.07794	2.3
131.08566	13.1
133.10144	10.1
135.08069	16.3
135.11681	4.5
137.09634	5.6
142.07794	6.7
143.08562	18.1
144.09303	3.1
145.10124	18.4
147.11688	3.2
149.09627	3.2
155.08533	6.1
156.09355	3.7
157.10127	23.2
157.11339	1.9
158.10890	4.2
159.08040	1.3
159.11690	23.5
161.09659	3.4
161.13281	1.6
163.11185	4.5
168.09341	2.1
169.10097	9.9
170.10890	2.1
171.11700	14.5
173.09717	2.8
173.13261	26.9
174.14120	2.8
175.11156	2.0
175.14905	3.2
177.12700	1.9
182.10959	1.6
183.11693	13.0
184.12460	4.0
185.13214	3.0
187.11208	7.5
187.14833	3.4
188.12062	1.6
195.11801	1.5
197.13248	10.0
199.14815	36.7
199.16608	2.2
201.12723	9.0
209.13235	2.1
211.14906	1.6
213.16382	13.2
214.17155	1.6
215.14349	3.2
215.17978	7.2
231.18364	1.2
239.17926	12.3
257.19019	100.0
257.26572	6.8
258.19437	2.3
258.27921	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	258.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.6
67.05517	0.7
69.03436	0.6
70.06594	1.7
70.60728	1.1
72.08149	0.6
74.00674	0.6
76.52663	0.4
82.06620	0.6
83.06078	0.8
84.03981	0.9
84.04503	20.7
84.08142	88.2
85.02907	1.1
86.09699	0.8
95.04965	0.8
95.06086	0.6
100.02203	10.4
101.10786	2.7
104.10745	2.1
108.04476	0.7
109.04787	0.8
110.07177	1.7
111.09217	1.0
119.03387	0.4
126.05492	0.5
126.07462	0.7
129.10239	100.0
130.05000	5.0
130.10558	0.6
144.64900	0.5
146.02710	9.2
146.03766	0.7
149.10764	0.5
151.38348	0.4
167.11858	0.6
194.12845	0.5
195.11304	2.9
212.13908	1.1
213.06969	1.8
234.98906	0.9
240.13586	2.8
241.08978	0.9
241.11800	1.1
258.11588	1.2
258.14459	5.0
259.07452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99557	1.0
60.40505	0.4
60.84972	0.4
67.04253	2.6
67.04521	0.8
70.06599	2.8
70.80531	1.1
73.01120	0.8
74.00663	7.4
74.02413	1.0
80.04992	0.9
81.03385	0.7
84.04498	2.9
84.07710	0.6
84.08147	6.9
85.02883	0.6
85.04818	0.8
85.08466	2.4
86.09670	0.5
90.04673	0.7
91.05456	0.5
97.02876	1.4
99.02664	0.9
100.02203	100.0
107.04981	0.6
112.07573	0.5
114.03764	0.6
114.05534	0.7
116.07082	0.5
118.03242	4.1
120.01156	0.6
129.10251	3.9
130.05016	0.9
130.06552	1.4
130.08640	0.8
130.10616	2.7
131.04942	0.7
138.05525	0.8
142.03220	3.3
142.04137	0.5
144.05777	1.5
146.02708	97.5
148.68224	0.6
151.80986	0.5
157.06525	0.7
157.07709	1.7
170.02609	2.3
172.05312	1.8
173.07036	0.6
174.03171	1.1
187.02504	0.6
187.04036	1.5
187.07536	6.2
198.03227	1.1
201.05611	0.5
213.06935	24.7
216.04288	3.2
229.05190	0.8
231.02875	8.1
231.06607	0.8
243.78119	0.5
244.03804	1.2
251.37550	0.5
259.07861	23.9
259.17642	0.4
260.10556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.07066	3.4
67.05505	8.3
69.07064	4.8
70.06579	3.2
71.04995	3.4
71.08611	1.4
71.49229	2.3
72.08146	3.0
79.05496	9.4
80.43815	1.5
81.07060	8.3
83.08605	2.8
85.06536	2.1
88.07626	3.9
90.09154	1.4
90.82359	1.2
91.05467	10.6
93.07043	18.0
95.04961	4.5
95.08614	11.6
96.22194	1.4
97.06573	1.8
99.08078	1.8
103.05447	2.0
105.07034	29.7
105.07701	2.5
107.08604	16.2
109.06529	3.1
109.10166	8.6
111.02407	1.3
111.08064	2.9
117.07040	6.6
118.91190	1.4
119.08582	20.0
121.06541	1.3
121.10146	100.0
123.08067	5.4
123.11752	1.6
123.63715	1.3
128.06175	2.3
129.06993	6.4
131.08589	13.3
133.07582	2.2
133.10132	8.4
135.08052	16.8
135.11674	3.3
137.09622	4.6
141.07011	2.7
142.07765	5.0
143.08571	17.7
144.09335	1.7
145.10129	14.2
147.11696	4.8
149.09641	5.1
155.08569	2.9
156.09395	2.1
157.10117	20.5
158.10876	2.6
159.11687	11.5
161.09648	2.6
161.13184	1.9
163.11179	4.2
169.10118	10.5
170.10890	2.8
171.11665	8.9
173.09612	2.1
173.13274	15.5
175.11328	1.5
177.12764	1.5
183.11705	8.6
184.12524	2.3
185.13271	2.4
187.11218	4.0
187.14857	4.3
189.12798	1.8
197.13242	8.3
199.14821	37.6
201.12746	5.8
211.14844	1.5
213.16426	8.9
214.17278	1.7
215.14357	2.7
215.17989	7.4
229.15933	1.5
239.17941	11.1
257.04443	1.4
257.19025	97.5
257.26648	25.1
257.30054	2.5
258.19388	2.4
258.27878	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.7
57.03440	4.7
63.59814	0.5
68.99779	1.1
69.50546	4.0
70.06586	1.0
71.05006	0.6
71.21266	0.6
75.04465	2.4
75.79491	0.6
76.39551	0.5
77.03924	0.9
79.05494	4.2
81.07039	0.7
84.26291	0.6
86.01462	0.7
91.05474	1.4
94.04166	1.4
97.88678	0.7
103.05470	2.1
105.07030	29.9
107.04960	2.7
109.06502	0.9
117.07082	0.6
122.03675	3.1
131.04945	0.7
133.06493	48.7
135.08182	0.8
136.80280	0.7
137.05977	100.0
152.12636	0.6
163.07526	4.3
165.09117	21.3
175.07574	2.7
177.09212	0.8
181.08623	1.8
182.09335	0.8
183.10153	3.9
201.05473	3.7
203.03426	4.0
203.10666	3.0
209.11659	0.9
221.11775	1.9
229.04965	3.8
239.12738	1.1
257.04391	5.2
257.13376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03931	1.5
55.05509	1.4
65.03933	6.0
67.05496	5.0
69.07077	2.1
71.38442	1.5
79.05495	2.5
79.08260	1.3
81.07055	4.0
82.02907	1.8
83.80418	1.6
84.10168	1.3
89.24557	1.2
91.05476	3.3
92.05003	6.2
93.07077	2.5
94.06558	2.6
95.04961	1.7
95.08598	2.5
105.07025	4.0
107.08591	1.6
108.08179	1.6
109.10159	1.8
110.06031	1.9
117.07036	1.9
118.06534	1.4
119.08601	3.5
120.04468	3.7
122.06033	4.7
128.06230	1.7
129.07008	2.8
130.06543	2.0
131.08549	4.3
136.07503	1.6
141.07018	1.7
142.07744	1.8
143.08585	3.7
144.08052	1.8
145.10150	5.5
152.07114	1.5
154.06482	2.7
156.08110	2.6
157.10152	3.8
159.11661	3.5
160.07602	3.7
168.08115	4.0
169.08884	5.3
169.10159	2.9
170.05978	1.6
170.09666	1.6
172.07611	2.6
172.09933	3.2
173.10765	2.2
173.13234	2.6
183.06793	3.2
183.09192	4.3
183.11723	2.1
184.07622	4.0
184.11153	7.7
185.07076	2.7
185.10777	5.2
185.13200	1.6
186.11513	9.4
187.08652	2.0
194.09665	1.5
196.07629	1.4
197.08322	9.8
199.08621	9.4
199.14824	2.2
200.09412	20.4
200.11037	1.6
200.12994	2.1
201.10248	4.0
201.13872	11.1
211.08667	3.9
211.12329	1.8
212.10727	14.5
213.06651	12.7
213.10172	11.2
214.07481	1.5
214.10863	11.0
224.09531	2.1
227.08215	11.0
228.06702	1.3
228.08871	28.2
229.09831	25.7
229.13356	50.7
239.11845	5.0
240.10181	3.3
241.09731	23.4
242.10510	42.8
242.12952	3.1
257.08264	4.3
257.12872	100.0
257.15259	4.0
257.19006	4.6
257.22684	2.8
257.26727	1.4
258.11185	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	257.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01871	9.8
55.05513	15.1
57.03432	4.8
61.02926	68.0
65.03947	3.5
67.05499	15.4
67.53391	1.6
69.03430	7.3
69.42853	6.5
69.43272	8.4
70.06589	3.3
71.04979	3.2
73.02901	8.1
79.05490	20.4
81.03407	4.8
81.07056	48.5
83.01322	6.1
83.04970	4.3
83.08615	2.3
84.04494	3.5
84.08118	2.3
85.02891	8.4
86.09702	4.8
87.24122	2.0
91.03953	26.7
91.05476	20.5
93.03387	2.6
93.07035	20.9
95.01303	3.1
95.04969	18.0
95.08593	7.6
97.06508	3.0
98.09666	4.5
98.97585	10.4
103.05440	3.8
105.07040	8.0
107.04944	6.3
107.08556	7.2
109.02860	3.9
109.06522	9.6
109.10140	2.1
110.97579	2.7
111.04452	5.7
111.08082	100.0
113.02349	2.3
115.98723	1.9
119.03415	3.1
119.04933	2.9
119.08572	4.6
121.06476	4.5
121.10115	2.6
123.04402	5.7
123.08105	12.2
123.08829	2.3
125.09631	3.8
127.03915	1.9
131.08577	3.1
135.04437	2.7
135.08109	2.1
137.02383	2.4
137.05971	17.9
137.09599	2.1
139.07526	8.8
144.08060	3.3
147.08029	5.1
149.09604	2.7
151.07555	8.8
153.09081	3.4
155.07014	3.1
165.09114	8.1
167.07085	10.8
167.10785	2.3
169.08728	3.7
177.08981	2.8
193.08575	4.2
195.10164	21.4
198.48827	2.4
200.02280	3.2
209.02820	2.1
211.07675	2.2
211.09634	43.1
229.10800	2.3
239.09120	19.9
239.11795	17.2
245.03903	5.8
257.04398	4.5
257.07831	4.9
257.10291	4.7
257.12823	9.8
257.16388	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1656
Annotation	L-Pyrrolysine
Peak:m/z	Relative Intensity
55.05519	0.9
56.05047	2.7
68.05038	0.9
70.06594	100.0
71.04989	0.4
71.06902	0.5
71.25883	0.8
72.08160	9.4
79.05511	0.5
79.53448	0.4
80.05001	0.4
81.07066	1.3
82.02961	0.5
82.06586	0.8
84.08152	0.5
86.09711	0.6
96.04479	0.7
96.08132	2.4
98.06067	0.8
98.09696	5.2
108.08124	0.7
110.09686	0.9
113.07108	0.9
114.05512	0.6
116.07095	19.5
124.07561	0.6
126.09129	1.0
136.07608	0.5
139.08698	3.9
141.10228	7.6
141.24527	0.4
142.08737	0.5
142.65567	0.3
143.11833	2.6
150.12787	1.1
152.07040	0.4
152.90381	0.4
153.10213	0.6
167.07320	0.4
167.11761	0.5
167.15436	1.2
181.13371	5.8
182.06676	0.4
182.08290	0.6
185.09219	9.2
192.14981	1.8
193.13396	9.6
193.15138	0.7
195.14970	1.1
196.13361	1.4
210.16029	41.0
213.15967	3.0
228.10144	0.4
235.85312	0.4
238.15228	0.6
239.13942	3.0
256.06839	0.5
256.11884	1.2
256.16592	21.1
256.19009	1.3
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	256.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72785	0.6
55.05518	1.8
56.05035	24.1
56.96624	0.7
61.57481	0.6
67.05524	0.8
68.05021	0.9
69.03423	0.7
70.06592	100.0
71.49754	0.7
72.08180	0.8
79.05491	2.0
81.07067	5.0
82.02956	0.9
84.04493	1.7
85.06529	0.6
86.06073	1.9
88.07616	0.7
95.04961	0.6
96.04494	1.9
97.02833	0.6
97.07681	1.6
98.09693	51.1
98.97582	2.7
113.07127	48.1
113.11684	0.6
114.05536	10.6
115.08685	10.1
116.07098	5.9
124.07580	0.7
127.03937	1.4
130.04933	1.0
133.09767	0.9
137.09583	1.3
141.06549	1.5
142.04997	2.4
152.61864	0.8
159.07654	84.8
160.08102	0.7
182.74409	0.7
193.13399	2.7
208.55043	0.6
238.07024	0.6
256.06995	1.6
256.16620	2.1
256.26309	2.8
257.12811	0.8
277.02643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99277	0.4
56.04800	0.5
56.05037	5.1
56.59019	0.5
58.99842	0.5
68.05008	2.0
69.03421	3.3
69.04528	1.6
70.06571	1.7
71.10605	0.6
71.10982	0.9
73.02918	0.5
73.74876	0.5
78.53179	0.5
79.82951	0.5
81.03405	0.7
81.04539	4.0
83.06107	18.0
84.04520	1.0
84.08127	0.6
85.02870	1.8
86.05594	0.7
86.06068	10.3
96.04485	0.8
97.02844	2.3
97.07658	8.7
98.06046	0.7
98.20789	0.4
99.09191	2.8
100.03974	0.6
101.00851	0.6
102.05499	0.9
107.30089	0.5
109.04003	3.0
109.07655	5.3
110.07144	0.9
111.09180	1.0
114.05530	40.0
117.04001	0.9
119.01907	0.8
124.03951	7.4
127.04072	0.9
127.05041	16.6
127.08672	8.5
130.05014	1.0
143.01938	0.5
145.03357	0.6
150.06633	1.4
153.06705	0.6
155.08154	100.0
161.04596	0.5
184.04668	0.8
186.07585	0.7
196.07239	2.6
210.08913	0.7
248.24857	0.5
256.04602	0.6
256.09256	2.6
256.12958	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01871	13.5
55.05515	29.6
57.03441	41.2
57.07081	5.3
65.03922	2.9
67.05505	57.5
69.03430	3.3
69.07067	28.6
70.16402	10.1
71.01357	5.1
71.04987	6.4
79.05491	61.1
81.03407	7.0
81.07052	35.7
83.04986	35.5
83.08607	8.6
85.06532	5.5
91.05479	20.4
93.07045	72.6
95.04962	6.1
95.08607	19.4
97.06538	21.9
97.10161	17.7
98.98470	63.0
100.98884	3.8
105.07030	10.8
107.04949	3.9
107.08588	50.9
109.06493	2.9
109.10139	11.4
111.08069	6.7
117.07020	6.4
119.08601	12.2
120.50557	2.4
121.10151	13.2
128.06168	2.5
129.07019	3.5
131.01363	2.4
131.08618	3.3
133.10138	4.7
133.58948	2.5
135.11694	100.0
142.07732	3.1
143.08571	6.4
145.10156	16.7
153.12752	15.2
157.10156	8.2
159.11685	5.8
163.11188	13.0
165.65309	2.9
169.10126	3.0
171.11684	8.5
181.12277	16.7
185.13229	6.6
198.60046	2.9
199.14876	5.3
209.11736	10.1
211.14938	3.5
213.03676	10.6
213.16508	4.1
237.11134	3.1
255.08064	6.8
255.15544	30.5
255.21092	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
54.26239	1.1
55.01862	4.1
55.05282	1.5
55.05518	21.9
57.03443	39.4
57.07060	4.5
59.05003	1.7
65.03934	3.1
65.39725	1.0
67.05510	55.0
67.46806	0.8
68.99780	2.9
69.03416	2.8
69.07077	21.1
70.06564	1.5
71.01355	5.7
71.05003	6.6
71.08624	1.1
71.49262	1.8
72.08144	4.5
73.06566	1.1
79.05499	53.1
81.03419	8.0
81.06607	1.6
81.07063	33.1
83.04991	13.9
83.08636	5.8
85.06554	8.7
91.05483	22.9
93.07052	62.9
95.04967	7.2
95.08073	1.2
95.08623	14.8
97.06542	15.8
97.10182	13.8
98.98475	41.9
99.04468	2.0
99.08078	3.0
100.98890	2.4
105.04531	1.5
105.07042	6.2
107.04929	2.8
107.07892	2.2
107.08603	40.1
109.02872	1.3
109.06532	2.2
109.10179	9.7
111.04394	2.2
111.08071	3.7
111.11726	1.2
113.05996	1.1
115.05447	1.5
117.07025	4.7
119.04954	4.7
119.08588	8.2
119.09914	1.1
121.06510	2.1
121.10146	11.6
123.11653	1.7
125.05962	1.6
125.09622	3.9
127.03951	1.2
129.07004	1.2
131.08485	1.5
133.10112	4.5
135.08038	3.5
135.11702	68.7
137.02342	9.0
137.09636	2.8
139.07584	1.6
139.11160	1.2
140.25339	1.0
143.08546	2.4
145.02832	6.5
145.10139	16.5
149.09645	1.4
149.13263	1.1
153.12749	2.4
155.03439	1.6
155.05902	1.0
157.10110	1.8
159.11725	1.5
163.11186	9.5
165.07040	1.3
171.08040	1.3
171.11713	1.4
176.98883	1.7
177.05542	1.5
177.12691	1.2
181.06462	1.4
181.12257	12.5
182.08398	1.8
185.13219	1.2
199.14856	2.2
202.03845	1.7
211.14801	1.4
219.13768	1.3
227.06906	2.5
227.11661	1.2
237.14008	1.7
237.18457	1.7
255.06529	100.0
255.10928	4.6
255.15800	25.6
255.21088	5.4
256.06903	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01871	17.4
55.05278	2.4
55.05515	29.9
57.03441	41.4
57.07064	7.5
57.69213	2.4
65.03921	2.8
67.05506	69.7
69.07071	31.2
69.80357	2.2
71.01352	2.5
71.04984	7.3
71.08608	3.4
71.50583	2.8
79.05489	67.4
81.03400	8.6
81.07061	38.0
83.04977	36.1
83.08611	10.6
84.52331	2.2
85.06539	5.5
91.05473	26.0
93.06489	4.1
93.07044	77.9
95.04954	5.9
95.08604	23.3
97.06529	27.1
97.10191	13.1
98.98472	68.6
99.04431	2.8
100.57659	2.4
100.98869	2.8
105.04482	3.1
105.07030	11.4
107.04965	3.4
107.07893	3.3
107.08594	50.9
109.10150	12.9
111.08058	7.1
117.07007	6.7
119.08587	12.9
121.06538	2.4
121.10141	16.7
125.09604	3.8
129.07014	3.6
131.08571	5.3
133.10091	6.8
135.11690	100.0
137.09618	3.1
143.02243	2.6
143.08540	5.9
144.09315	2.6
145.10112	22.5
148.79590	2.2
153.12740	23.9
156.09297	3.6
157.10110	8.0
159.11705	6.0
163.11139	9.9
171.11688	7.3
181.12238	26.4
183.11574	2.7
185.13290	6.6
199.14774	8.1
209.11662	6.5
212.29416	2.7
213.03778	13.2
216.44821	2.4
255.08272	10.3
255.15688	44.0
255.21039	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01862	9.4
55.05504	23.4
57.03161	2.8
57.03439	46.5
57.07065	4.9
67.05505	72.8
69.07066	27.2
71.01363	3.1
71.04984	7.0
75.16766	1.9
79.05491	69.2
81.03410	6.4
81.07062	37.8
83.04980	23.7
83.08598	8.9
85.06532	5.8
91.05476	28.3
93.07043	78.1
95.04950	8.6
95.08593	15.6
97.06533	20.5
97.10170	18.2
98.20655	4.3
98.98466	32.1
99.08064	2.2
105.04527	3.9
105.06989	5.9
107.04954	4.3
107.07896	2.9
107.08589	47.0
109.10163	10.3
111.04436	3.9
111.08073	4.9
114.60355	2.0
115.64696	2.1
117.07017	6.7
119.08565	9.2
121.10115	10.0
122.81303	2.2
125.09655	3.4
131.73543	2.3
133.10126	6.1
135.08087	2.8
135.11693	100.0
135.12730	5.2
143.08513	2.5
145.10133	16.5
153.12727	11.4
157.10114	3.9
163.11139	12.5
171.11552	2.2
181.12263	21.0
185.13274	2.5
186.44887	2.1
209.11710	4.5
211.14853	2.4
215.93810	2.1
255.15607	30.1
255.21059	7.8
255.23245	3.0
256.26331	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	255.0651
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
53.03936	0.3
53.17289	0.2
55.01862	0.3
55.05492	0.5
65.03924	0.6
67.05492	0.6
68.99783	2.2
69.03426	0.5
69.07063	0.4
69.28092	1.2
70.06596	0.2
72.08140	0.3
72.98888	0.2
79.05491	0.3
81.03410	1.0
81.07056	1.0
82.67364	0.2
83.04951	0.2
83.08601	0.2
85.06552	0.3
91.05485	1.9
93.07062	0.4
94.97504	0.2
95.01315	0.5
95.04948	0.2
95.08588	0.7
97.06498	0.3
98.98466	5.7
100.98890	0.2
105.07026	0.3
107.08581	0.4
109.02863	0.5
109.10146	0.4
111.04425	0.9
115.05400	0.2
116.99563	0.2
119.04937	4.6
119.08504	0.3
121.02861	0.9
121.04005	0.4
121.10128	0.4
127.03929	0.3
128.06204	0.3
129.07014	0.2
131.08540	0.4
133.10103	0.2
135.11655	0.3
137.02335	10.1
141.06985	0.7
143.08510	0.3
145.02850	5.7
145.10121	0.3
153.07005	0.6
155.03413	1.8
157.06543	0.3
157.10069	0.2
159.11673	0.2
169.05138	0.2
169.06494	0.5
171.08028	0.3
171.11717	0.2
176.98871	0.2
181.06491	0.3
182.08412	0.3
185.13335	0.3
187.07588	0.4
195.08006	0.2
197.01256	0.2
199.07542	0.4
213.05513	0.4
227.06969	1.1
235.66824	0.2
255.06517	100.0
255.21126	0.5
256.06891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01861	10.1
55.05515	22.4
57.03438	48.6
57.07074	2.8
59.01321	1.7
64.85600	1.5
67.05505	70.6
67.50661	1.7
69.07073	22.7
69.59586	2.3
69.59998	8.5
70.07916	1.4
71.01359	6.3
71.04993	5.5
72.61366	1.5
79.05017	1.8
79.05493	69.0
81.03408	5.9
81.07052	36.6
83.04980	22.9
83.08619	4.7
85.06541	4.7
91.05486	25.7
93.07044	76.8
95.04965	6.2
95.08607	12.4
97.06532	19.7
97.10185	15.4
98.21587	1.7
98.98486	11.9
99.04507	1.6
105.07020	9.6
107.04971	5.1
107.08597	51.8
109.10155	8.2
111.08057	4.7
115.05363	1.5
117.07025	7.1
119.08599	9.0
121.06437	2.5
121.10152	11.6
122.30639	1.6
125.09623	2.8
130.07793	2.1
133.10135	4.4
135.08051	1.9
135.11690	100.0
137.09688	2.2
145.10123	16.3
153.12779	8.9
155.68127	1.6
163.11183	14.1
181.12256	18.5
183.27661	1.7
199.13341	2.3
237.16295	2.1
255.15746	35.3
255.21178	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	253.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01873	1.3
55.05517	3.2
57.03436	8.3
57.07086	1.1
58.91996	0.8
65.03947	1.4
67.05505	29.9
69.03446	0.7
69.07065	2.4
71.04992	0.7
79.05490	11.3
81.03413	1.1
81.07056	10.8
82.35009	0.7
83.04993	2.3
83.36448	0.6
84.32757	0.7
85.06549	1.4
89.93532	0.7
91.05480	85.9
92.05805	0.9
93.07053	6.9
95.04991	4.0
95.08592	2.3
98.98466	86.8
100.98911	1.3
105.07034	37.8
107.08583	5.9
109.06525	0.8
109.10162	3.2
111.04454	0.8
113.06009	0.8
115.05460	1.6
116.99510	0.9
117.07018	3.8
119.03403	2.0
119.04940	1.3
119.08593	4.2
123.11718	1.1
125.06039	0.9
128.06226	2.9
131.08560	4.2
133.10130	100.0
134.10486	1.0
135.11696	1.3
141.05482	0.9
143.08536	6.1
144.50737	0.7
151.11159	7.2
161.09610	18.5
174.99194	1.4
176.98936	1.0
179.10675	2.1
197.11711	2.9
208.99388	0.7
212.82231	0.9
235.13200	1.4
235.55388	0.7
253.14323	39.4
253.19653	1.6
263.55569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03428	1.3
57.07063	0.6
59.05003	3.9
67.05486	0.8
69.03439	0.7
69.07083	0.6
70.06580	1.6
71.49037	0.6
72.08150	0.7
79.05485	0.9
81.03383	0.6
81.07054	1.0
83.04955	0.4
84.04514	0.6
84.08136	0.9
87.04469	10.9
88.03976	0.8
89.06030	18.0
91.05492	1.1
92.05009	0.4
93.07073	0.4
94.06563	0.4
95.04968	1.2
95.08596	1.0
97.02893	0.5
98.04575	0.4
98.98465	100.0
100.98901	1.0
103.03940	24.9
103.07600	1.6
105.03389	0.5
105.07026	1.0
107.04898	0.6
107.07024	0.4
109.02871	0.4
109.10181	0.5
110.06039	8.4
110.06866	0.4
110.07154	0.7
114.10264	0.7
115.05480	0.6
116.03501	0.6
116.99494	1.8
117.07030	0.5
119.07058	0.9
119.08585	0.5
120.08105	1.1
121.06512	0.6
121.08614	4.4
121.10031	0.4
122.09672	0.8
122.76668	0.4
123.04440	0.7
129.10254	0.5
131.04924	0.4
131.07031	4.5
133.02850	0.5
133.07707	0.3
133.08598	8.7
135.04443	0.5
135.08098	0.4
136.06201	2.4
136.07616	0.4
137.02304	0.4
137.06491	1.4
140.01102	0.5
141.05447	0.8
146.06055	0.5
147.06540	1.3
148.04709	0.4
150.12773	0.8
151.03911	0.6
151.07545	0.5
151.09657	0.8
161.02382	0.8
161.06003	0.7
163.09749	0.5
166.03242	0.7
174.99258	1.7
176.98964	1.6
179.03374	1.9
189.05450	0.8
191.08632	0.4
197.11761	1.2
207.06331	0.5
207.08009	1.3
207.12276	2.9
209.17661	0.6
217.04935	0.4
235.05867	0.7
235.07852	0.4
235.11742	0.7
253.09045	0.7
253.12022	0.8
254.06633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.3
59.05002	0.8
60.03380	0.4
70.06583	0.7
70.75060	1.2
71.07486	0.4
73.75234	0.4
79.05521	0.4
81.03421	0.5
84.04510	37.6
85.02905	0.8
89.06051	4.0
91.05478	0.4
92.04996	1.6
98.98476	23.7
102.05535	0.7
109.05268	26.0
112.17198	0.4
124.07598	100.0
124.27716	0.4
125.07941	0.7
125.36356	0.4
130.05003	7.2
133.08603	1.0
151.09740	0.6
159.36783	0.4
176.98943	0.5
189.10297	0.4
195.12273	0.9
197.11763	0.6
207.08162	0.4
212.44577	0.4
221.09215	1.0
236.09267	3.0
253.11862	1.5
253.15271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.01867	0.5
55.05503	0.4
57.03423	1.2
57.07062	0.9
60.04525	30.2
64.92677	0.3
67.05492	1.1
68.99763	0.7
69.03425	0.9
69.07078	0.4
70.02962	0.6
70.06594	2.7
70.84769	0.4
71.04982	0.5
71.40043	0.4
71.40407	0.7
72.08145	0.4
79.05486	1.1
80.80415	0.4
81.03407	0.7
81.04539	2.7
81.07040	0.8
84.04484	0.6
84.08128	2.0
85.02912	0.8
86.09723	0.5
87.05596	1.1
91.05471	2.0
93.07020	0.7
95.04952	0.7
95.08617	0.9
98.98464	100.0
99.67020	0.4
100.98887	1.2
103.03863	0.6
103.05460	2.3
105.03400	0.7
105.07052	1.0
107.04951	2.1
109.02888	0.5
109.06590	0.4
109.10136	0.7
110.07166	1.7
111.04398	0.4
115.05459	0.6
115.99574	0.4
116.07095	1.0
116.47216	0.4
116.99516	2.2
117.07048	0.4
119.04957	0.8
119.08557	0.4
120.08102	47.3
121.02868	0.4
121.06473	0.6
121.08445	0.4
122.07169	1.2
123.04455	0.5
124.08727	1.8
125.05933	0.4
129.10268	0.6
131.04964	1.0
132.08064	0.7
133.02878	0.5
133.10149	0.5
135.04437	0.8
136.06177	2.1
136.07542	1.7
137.06558	1.1
141.05466	1.1
144.08076	1.2
147.04401	0.9
147.11345	0.4
147.92873	0.4
149.05980	1.2
151.03943	0.8
162.09164	1.1
163.03760	0.4
166.03242	0.8
166.08633	29.0
167.09024	0.5
174.99234	1.7
176.98947	1.3
179.03442	2.7
179.06844	0.5
191.08476	0.4
197.11768	1.5
207.06357	0.6
207.08235	0.6
207.11249	7.8
217.04979	0.5
217.09723	0.5
225.17094	1.4
235.05840	0.5
235.10828	1.7
235.93132	0.4
253.07037	0.9
253.08801	0.5
253.11824	5.2
253.16539	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	252.1092
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
52.03320	0.2
55.05506	0.3
57.03431	0.5
59.04980	0.3
59.47079	0.2
62.34015	0.2
69.03429	0.3
69.27390	0.2
70.06585	1.0
71.04984	0.3
71.18491	0.4
72.08140	0.3
72.93761	0.2
72.96753	0.2
73.02869	0.2
81.07048	0.3
84.04494	0.4
84.08126	0.8
86.09691	0.7
88.03994	0.3
91.05476	0.6
91.72488	0.2
94.04057	0.4
98.85652	0.2
98.98465	13.2
99.04446	0.4
105.07036	0.5
111.39409	0.2
116.07091	0.6
119.03555	0.6
119.04946	0.7
120.08080	0.3
123.05512	0.2
136.06183	100.0
137.04538	0.3
137.05814	0.4
137.06642	0.3
146.06004	0.4
147.04431	3.0
147.06232	1.2
163.03915	0.2
164.07050	0.2
178.04951	0.2
205.98859	0.3
210.11273	0.9
252.10782	4.1
252.14389	0.5
252.16425	0.4
252.23160	0.3
274.29977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1019
Annotation	Arboricine
Peak:m/z	Relative Intensity
55.01839	1.7
56.05011	1.1
57.07050	1.0
60.04502	0.8
65.03910	0.7
69.07037	1.3
69.85463	1.5
69.85892	2.0
70.06600	3.5
71.04964	0.7
72.08141	1.4
73.02866	0.7
73.43535	0.6
79.05486	0.7
81.04518	0.7
83.04945	0.7
84.04465	2.4
84.08135	4.1
85.02890	1.2
86.09663	1.7
88.03934	1.0
91.05472	1.0
91.61355	0.7
94.06555	0.7
95.04932	0.8
97.02860	1.8
97.06483	0.8
98.21414	0.8
98.98465	43.3
105.06997	0.7
106.06509	2.4
107.04911	0.8
108.40206	0.6
109.02853	0.9
110.06033	0.8
110.07134	1.6
113.05973	1.0
114.08034	0.6
116.99464	1.1
120.08057	0.9
121.02814	0.8
122.09666	0.8
124.07641	3.2
129.10222	1.2
134.05989	0.8
136.06143	4.8
136.07552	0.8
137.05963	0.8
138.05475	1.3
146.06006	0.7
147.04372	2.2
156.07614	0.7
160.07585	0.8
162.07745	1.3
165.07034	1.0
173.06577	0.6
176.98924	0.6
177.06961	1.1
178.04854	0.6
178.07770	22.9
179.08556	42.6
180.08847	0.9
181.06485	6.2
189.05435	1.1
189.06998	9.5
190.07750	1.0
192.05334	1.1
195.07997	1.2
204.08081	1.4
205.06526	1.8
205.08911	0.9
205.98831	2.0
206.07520	2.0
206.09766	4.1
206.11446	1.0
207.08052	100.0
208.08340	1.5
209.05869	1.4
217.06514	9.1
217.09717	0.9
218.07225	0.9
221.05942	2.1
223.07629	1.4
234.07426	1.2
234.11330	0.8
235.07568	26.0
235.15681	0.7
245.07101	1.0
252.10214	79.0
252.15735	3.1
252.23253	1.0
253.10324	1.8
274.25668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03947	0.6
55.01866	0.4
55.05509	0.8
57.03432	0.3
57.07079	2.0
59.05000	1.0
67.05501	1.4
69.03450	0.6
69.07064	1.1
69.82652	1.2
71.04992	21.7
79.05501	1.6
80.54426	0.2
81.03435	0.7
81.07056	2.3
83.04980	4.1
85.06557	0.3
91.05459	1.2
93.07047	2.4
95.04961	2.1
95.08621	1.7
97.06528	2.6
98.98466	100.0
99.04447	0.4
103.05452	0.3
105.07030	1.8
106.06596	0.4
107.04932	0.4
107.08599	1.9
108.04504	0.3
109.06528	1.0
109.10142	0.7
116.99509	1.6
117.07020	1.0
119.08575	1.1
121.06518	0.7
121.10131	2.3
123.08074	1.7
123.11726	0.3
125.05997	10.6
131.08542	1.3
133.06499	0.4
133.10120	0.8
135.08018	0.8
135.11699	1.6
137.05959	0.3
140.01097	0.5
143.08517	0.3
145.10150	1.6
147.08061	0.4
147.11713	0.5
149.09619	0.7
151.07520	3.8
157.10210	0.4
159.11656	0.4
161.06071	0.4
163.11182	14.3
165.09048	0.6
166.64731	0.2
167.10733	0.3
169.10133	0.3
171.11816	0.3
173.13188	0.3
174.99229	3.9
177.05437	0.3
177.09132	0.4
181.12222	6.6
189.12698	0.5
191.06952	0.4
195.10136	2.0
205.12247	0.4
207.13811	0.3
215.14461	0.3
233.11789	0.4
233.15419	1.8
243.72513	0.3
251.04691	0.8
251.16397	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	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18922	0.5
59.78655	0.5
68.39604	0.5
69.07065	0.6
69.78054	2.1
81.07058	1.6
82.08361	0.5
86.09711	0.9
87.00809	2.8
89.39870	0.5
91.05470	1.3
93.07040	1.9
94.04076	0.7
98.21520	0.6
98.98472	9.8
99.85663	0.5
103.05476	7.8
105.07010	0.8
106.59728	0.6
118.06555	9.6
118.99870	0.7
119.03551	1.5
120.08111	100.0
121.08450	0.6
128.05005	1.1
131.04938	0.8
136.06190	44.0
145.89301	0.5
146.06015	16.0
148.07607	0.5
166.08624	2.0
188.07069	18.0
192.06616	1.3
206.08131	57.3
214.58131	0.5
234.07539	0.9
234.13506	7.7
241.30322	0.5
252.14532	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03943	0.5
55.01870	0.3
55.05502	0.5
57.07072	1.2
59.04998	0.8
67.05495	0.9
69.03445	0.5
69.07052	0.6
69.41121	1.8
71.04991	14.8
77.01598	0.6
79.05484	1.2
81.03411	0.4
81.07047	1.9
83.04967	2.5
83.08604	0.4
85.06576	0.5
91.05478	1.0
93.07033	2.0
95.04949	1.6
95.08621	1.4
97.06541	1.4
97.10076	0.2
98.98466	100.0
99.04430	0.3
102.60410	0.2
105.07037	1.7
106.06548	0.4
107.04913	0.2
107.08587	1.3
109.06532	0.5
109.10173	0.7
110.10751	0.2
111.08058	0.2
113.06067	0.3
116.99519	1.6
117.07037	0.4
119.08585	0.8
121.06479	0.5
121.10133	1.3
123.08086	0.8
125.05997	7.7
130.07794	0.3
131.08589	0.3
133.06499	0.3
133.10120	0.6
135.08040	0.4
135.11693	0.8
137.63911	0.2
140.01025	0.3
145.02835	0.5
145.10130	1.7
149.09622	0.5
151.03836	0.3
151.07535	2.5
153.07010	0.3
159.08112	0.3
159.11626	0.5
163.11185	9.3
165.09094	0.3
167.10699	0.3
173.09511	0.3
174.99234	3.2
177.05437	0.6
177.09131	0.4
181.12230	4.3
189.12718	0.3
191.06966	0.3
193.08604	0.6
194.85777	0.2
195.10179	1.1
205.12137	0.3
205.69153	0.3
207.13776	0.4
233.15337	1.1
251.04689	0.7
251.16409	10.7
266.48718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25871	1.5
54.83563	1.4
56.96546	5.5
58.99863	3.8
69.21179	1.6
70.81238	3.1
70.99858	8.5
72.08137	4.9
77.00910	4.3
82.99845	12.4
83.25552	1.6
84.08129	5.9
86.99319	3.0
89.00884	6.2
95.05546	1.8
98.98493	9.1
101.00885	100.0
102.00922	1.5
103.00645	9.9
113.00868	4.5
119.01927	93.2
120.02010	2.1
121.01673	14.7
131.01910	11.6
135.01392	2.5
137.02945	7.1
143.01907	57.2
145.01628	3.9
147.01343	3.8
149.03020	1.8
159.01414	25.8
161.02965	96.2
162.03050	2.4
163.02715	4.8
163.48051	1.7
171.01324	1.7
171.46890	1.8
171.50443	1.6
177.02464	43.4
178.02539	2.1
179.02203	2.2
189.02472	3.7
190.97891	2.1
191.00427	3.8
191.02173	5.9
204.40207	1.7
214.50304	2.1
218.98305	2.0
231.46973	1.6
233.01425	31.4
251.02473	55.6
251.05014	3.2
251.16002	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	249.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73331	0.8
56.96579	0.7
65.31445	0.7
69.03419	2.9
71.17039	1.4
72.04514	21.9
81.03411	0.9
85.02892	3.1
87.00831	1.8
91.05476	1.9
92.01005	0.9
97.02895	1.5
99.04459	1.2
103.05476	1.0
105.07031	0.9
115.05448	3.8
117.05737	3.8
117.07018	2.7
118.05030	23.5
118.06539	38.3
123.04420	0.8
127.03933	1.5
130.06502	2.0
132.08090	87.8
134.06023	1.9
142.06516	3.0
143.07323	4.7
144.08086	19.0
146.06009	89.4
158.08362	1.1
160.07602	2.1
161.05971	1.2
170.06029	7.2
172.07541	1.3
188.07068	100.0
189.05481	0.8
189.07396	1.4
203.11844	5.4
221.05986	1.2
232.09689	1.3
246.85443	0.8
249.12379	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	249.1124
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.97345	0.7
57.03424	0.9
66.17622	0.7
67.05491	0.9
69.03432	1.3
69.21236	2.0
69.21655	5.1
79.05487	1.3
81.07050	0.8
85.02941	0.7
91.05481	8.5
93.07035	1.4
95.04948	0.8
95.08610	1.1
97.02914	0.9
103.05455	1.3
104.38485	0.7
105.07024	4.2
107.04947	2.8
109.10147	1.4
115.05460	6.3
116.06255	3.9
117.07008	3.4
118.07811	1.2
119.04952	1.1
119.08570	1.1
121.06495	1.2
121.10172	0.8
122.02864	0.7
128.06239	10.2
129.07016	23.4
130.07770	1.2
131.04950	1.9
131.08575	19.8
132.05716	1.7
133.06482	3.5
133.10094	1.6
135.07976	0.8
138.12889	0.7
139.05365	1.0
141.06990	11.8
142.07805	4.2
143.04930	1.3
143.08557	3.0
144.05704	9.7
145.06476	6.1
146.07272	3.4
147.04410	1.4
147.08025	1.1
152.06258	1.3
153.06993	2.6
155.06081	2.0
156.05699	1.8
157.06512	11.1
158.07262	3.3
159.08064	31.1
160.05231	1.4
160.08777	1.0
161.06003	4.1
161.09587	8.1
167.07124	0.8
167.11778	0.7
169.06393	1.3
169.07652	3.6
170.07291	9.2
171.04362	2.3
171.08051	6.5
172.05199	3.0
173.06015	4.1
174.06735	3.5
175.07562	3.2
184.05302	1.0
185.06104	0.9
186.06717	1.1
187.07553	18.3
188.08289	1.7
189.05443	3.2
189.09129	10.6
190.06290	1.2
190.60439	0.7
191.07043	2.1
192.07751	0.8
193.08510	0.9
198.06807	1.8
199.07542	3.2
201.05484	2.1
203.07048	6.7
204.07828	13.0
205.08597	1.6
206.09372	2.0
216.07852	3.8
217.08551	1.2
218.09413	1.5
219.10207	2.3
221.07948	0.9
221.11714	4.3
231.10107	7.0
232.07234	1.0
234.08882	1.2
237.01079	0.7
237.04921	0.7
241.82768	0.7
249.11241	100.0
250.11604	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01878	1.0
55.46096	0.5
57.03420	0.7
61.01143	0.5
61.19227	0.4
66.85889	0.4
67.05499	0.9
69.03415	1.4
69.53385	2.4
70.06593	2.1
79.05499	0.8
81.07027	0.6
85.02876	0.6
86.09695	0.7
91.04977	0.7
91.05486	7.1
97.02906	0.9
97.71564	0.4
98.21496	0.8
103.05441	1.2
105.07022	3.4
107.04978	2.1
115.05451	5.8
116.06258	4.5
116.07044	0.7
117.06994	2.9
119.04940	1.0
119.08587	0.8
120.04707	0.5
121.06509	0.9
123.04407	3.4
127.05494	0.5
128.06224	11.2
129.07004	21.8
130.48573	0.4
131.04898	2.2
131.08563	16.6
132.05688	0.7
133.06502	3.9
133.10106	1.6
139.05421	0.4
141.06995	10.2
142.07765	5.4
143.04922	1.0
143.08545	3.1
144.05699	10.0
145.06479	5.5
146.03580	0.6
146.07246	3.4
147.04428	2.0
147.08081	0.9
149.07393	0.4
152.06198	1.5
153.06960	1.7
155.06053	1.3
156.05684	2.0
157.06483	9.6
158.07297	2.4
159.04422	1.0
159.08052	25.2
160.05173	1.4
160.08788	0.5
161.05963	4.3
161.09619	7.8
161.10916	0.6
166.59711	0.5
167.04897	0.4
167.07069	1.1
169.06439	1.7
169.07639	3.3
170.07274	7.4
171.04402	1.7
171.08049	7.3
172.05147	3.8
173.05975	3.9
174.06767	2.5
174.11565	0.5
175.07542	3.9
179.07048	0.5
181.06450	0.6
185.05960	1.3
186.06711	1.2
187.07541	18.7
188.08258	1.4
189.05458	3.3
189.09119	8.6
190.06250	1.8
191.07027	1.2
193.08701	0.6
193.13454	0.8
198.06769	2.3
199.07480	2.4
201.05438	1.7
203.07011	6.1
203.15453	1.3
204.07823	11.9
205.08546	1.6
206.09386	1.0
207.06557	2.1
216.07848	4.3
217.08554	1.1
218.09402	1.4
219.10118	1.7
221.08080	0.8
221.11678	2.7
231.10112	6.3
231.14958	2.0
234.08858	1.3
249.11217	100.0
249.15804	4.1
250.11539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01864	0.6
67.05502	0.8
69.03412	1.5
69.25504	3.0
69.25922	1.5
70.06576	0.9
79.05469	1.1
81.03410	0.7
85.02889	1.9
87.00847	0.7
91.05486	6.9
93.07033	0.8
95.04955	0.7
95.71903	0.6
97.02869	1.4
103.05492	1.1
105.07058	3.9
105.07653	0.9
107.04929	1.7
115.05445	5.9
116.06235	4.0
117.07018	3.2
118.07758	0.6
119.04995	0.8
119.08573	0.6
127.03902	0.8
128.06219	10.6
129.06999	20.9
130.07813	1.1
131.04909	2.1
131.08563	18.5
132.05713	1.1
133.06516	3.1
133.10106	1.5
135.04329	0.7
141.06987	10.2
142.07802	3.7
143.04915	1.2
143.08586	3.2
144.05705	10.3
145.06477	4.8
145.10123	1.2
146.07256	2.5
147.04417	1.8
147.08046	0.8
147.11693	0.6
152.06186	0.9
153.06970	2.2
155.06049	1.8
156.05682	2.2
157.06491	10.0
158.07309	2.8
159.08058	29.9
160.05223	1.7
161.05968	4.2
161.09615	8.1
167.04924	0.6
167.07036	0.8
169.06418	1.4
169.07643	2.5
170.07265	8.6
171.04337	1.8
171.08051	6.3
172.05186	3.2
173.05983	3.9
174.06741	2.1
175.07553	3.3
177.74483	0.6
178.06221	0.6
185.06018	1.5
186.06737	0.6
187.07547	17.9
188.08260	1.6
189.05423	2.1
189.09097	7.5
190.06284	1.4
191.07039	1.7
192.07806	0.7
193.08678	0.8
198.06757	2.4
199.07623	3.4
201.05428	1.9
202.22768	0.6
203.07045	6.1
204.07799	12.6
205.08513	1.4
206.09451	1.4
216.07837	4.0
217.08725	1.1
218.09439	1.8
219.06578	0.6
219.10100	2.7
221.07909	1.0
221.11465	2.9
231.10127	6.3
231.13780	0.9
234.08765	0.8
249.11223	100.0
250.11646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03935	0.6
55.01864	0.9
55.05507	1.0
57.03439	0.7
59.04998	0.6
64.41554	0.4
67.05492	1.3
67.21655	0.4
69.03413	1.8
69.07059	0.9
70.06638	0.6
70.74916	1.3
77.03946	0.6
79.05486	1.8
81.07053	2.2
83.04977	0.4
85.06570	0.4
86.09640	0.5
91.05484	7.9
93.07035	2.6
95.04956	1.8
95.08611	2.3
97.02901	1.0
97.06514	0.6
98.97571	0.8
103.05444	1.4
105.07028	5.1
107.04955	2.2
107.08611	2.0
109.06512	0.8
109.10103	0.9
115.05444	6.8
116.06225	2.9
117.07015	3.6
118.07813	0.7
119.04953	0.6
119.08550	1.8
121.06503	1.2
121.10149	1.1
123.04482	0.6
126.09155	0.6
128.06224	9.4
129.07007	19.2
130.07776	1.3
131.04970	2.3
131.08568	16.9
132.05721	1.3
133.06502	3.7
133.10121	2.9
135.08049	0.8
135.11673	0.6
137.05940	0.8
137.09605	1.0
141.06985	9.3
142.07750	4.3
143.04926	1.3
143.08569	4.0
144.05696	10.3
145.06493	5.6
145.10120	0.7
146.03658	0.6
146.07262	4.5
147.04391	1.1
147.07964	1.0
147.11668	0.9
151.11177	0.5
152.06181	0.9
153.07008	2.1
155.06018	2.0
156.05688	1.7
157.06493	9.4
157.63551	0.4
158.07277	3.0
159.08055	30.1
160.05159	1.2
160.08681	0.4
161.05984	5.2
161.09612	8.1
161.13226	0.8
165.05484	0.5
167.07050	1.7
169.06448	1.4
169.07648	3.1
170.07266	8.0
171.04483	2.0
171.08040	6.9
171.09357	0.7
171.11632	0.6
172.05196	3.4
173.05971	4.9
174.06744	2.9
175.03978	0.5
175.07574	3.6
175.11148	0.7
175.14815	0.6
177.05557	0.6
178.06284	0.9
178.07715	0.4
181.06413	0.6
185.05968	1.2
186.06725	0.7
187.07545	20.7
188.08192	1.6
189.05486	3.3
189.09097	9.7
190.06268	1.1
191.07115	2.0
191.08751	0.6
193.05066	0.6
193.08600	0.9
198.06775	1.6
199.07549	2.3
201.05440	1.6
203.07031	6.5
203.14290	0.5
204.07809	13.6
205.08542	1.7
206.09357	1.2
216.07782	3.7
217.08592	1.3
218.09332	1.2
219.10193	2.0
221.08133	0.6
221.11703	3.1
231.10130	7.0
231.13766	1.0
231.17479	1.0
234.08875	1.2
245.67357	0.4
245.75034	0.4
249.11217	100.0
250.11543	0.8
250.17982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.73818	0.5
53.03944	0.7
55.01861	0.5
55.05513	0.7
56.96588	0.5
57.03438	0.7
67.05504	2.0
69.03413	1.7
69.07053	0.8
70.06583	0.8
70.78815	1.1
76.02226	0.8
79.05486	1.4
81.03404	0.9
81.07043	1.4
83.04977	0.6
91.05484	7.6
93.07034	1.8
95.04935	0.9
95.08605	1.0
97.02885	0.9
97.06567	0.5
103.05476	1.7
105.07028	5.6
107.04956	2.0
107.08591	1.4
109.06505	0.6
115.05447	5.9
116.06239	3.2
117.07033	3.6
119.04941	1.0
119.08560	2.1
120.08095	0.6
121.06486	0.7
121.10172	0.8
121.56927	0.6
122.02724	2.3
123.04456	0.5
127.03854	0.5
127.05488	0.6
128.05304	0.7
128.06230	10.1
129.07011	21.6
130.07761	0.9
131.04898	2.0
131.08571	18.8
132.05615	1.3
133.06502	2.9
133.10159	2.6
135.08066	0.8
135.11742	0.8
136.07610	0.6
137.05945	0.6
141.06979	9.8
142.07787	5.3
143.04932	1.0
143.08553	4.5
144.05704	10.3
145.06480	7.2
146.07262	3.9
147.04395	1.6
147.08018	1.5
147.11693	0.9
152.06221	1.2
153.06998	1.4
155.06023	1.7
156.05710	1.7
157.06503	9.1
157.10194	0.7
158.07268	2.2
159.04416	0.9
159.08058	26.7
159.11673	0.8
160.05197	1.6
161.06026	4.2
161.09612	7.1
163.07503	0.6
167.04916	0.9
167.06972	1.3
169.06398	1.1
169.07645	2.4
169.63570	0.6
170.07277	7.5
171.04411	1.7
171.08055	6.1
171.11630	0.6
172.05154	3.6
173.05952	4.7
174.06702	2.4
175.07518	2.6
178.06302	1.0
179.06998	0.5
184.05202	0.8
185.05949	1.0
186.06641	0.9
187.07552	17.1
188.08267	1.1
189.05457	4.0
189.09108	9.4
190.06187	0.8
191.07022	1.5
193.08612	1.1
198.06718	2.6
199.07484	2.9
201.05449	1.6
203.07037	7.0
203.14305	0.8
204.07849	11.3
205.08577	2.2
206.09309	2.5
216.07767	2.9
217.08682	0.9
218.09358	1.6
219.10191	2.5
221.08128	1.1
221.11710	2.3
231.10130	7.6
231.13814	1.3
232.07187	0.8
249.11221	100.0
250.11693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.96708	1.8
53.03928	4.5
55.05496	5.1
56.96541	1.7
57.07067	1.7
61.17263	1.7
65.03925	3.7
67.05489	5.0
68.99792	4.4
69.03431	18.5
69.07060	3.4
70.06562	2.2
71.05011	2.1
71.29405	2.9
72.08150	2.6
79.05494	10.6
81.07072	9.7
83.04981	19.8
85.02877	1.8
91.05489	20.9
93.03394	3.6
93.07046	13.7
95.04962	7.3
95.08599	5.4
97.02916	14.9
103.05446	4.4
105.07034	19.5
107.04939	6.4
107.08591	16.5
109.02889	14.9
109.06499	11.5
109.10146	4.4
111.04417	6.2
111.08091	2.6
115.05435	4.8
117.07037	12.5
119.08587	19.4
120.08125	5.5
121.02820	5.0
121.06524	17.0
121.10107	9.0
123.08031	3.2
128.06221	4.5
129.06979	7.5
130.07791	2.1
131.04922	3.1
131.08571	21.5
131.89401	2.1
132.05635	3.1
133.10133	12.2
135.04359	3.6
135.07118	3.0
135.08060	30.7
137.05965	6.1
137.09592	3.5
139.03900	2.2
141.07031	3.7
142.07756	2.1
143.08566	11.0
144.05740	2.5
144.09308	8.5
145.06488	17.4
145.10109	12.3
147.07985	5.4
149.06001	1.9
149.09608	28.1
150.10414	3.8
151.11232	2.1
153.06981	2.5
155.04822	1.7
155.08539	6.6
157.06471	2.6
157.10121	3.9
158.07294	4.2
158.10954	11.5
159.08054	10.8
159.11713	26.9
160.08795	4.0
161.06004	2.3
161.09630	4.3
163.03889	9.2
163.07544	21.3
163.11142	3.7
168.09335	6.1
169.10094	3.4
170.10861	4.2
171.08049	7.6
172.08856	14.8
173.05974	3.5
173.09633	32.3
173.13257	40.7
183.11670	10.6
185.13223	2.6
186.10403	22.7
187.07576	3.0
187.11186	100.0
189.09007	3.0
190.08594	3.0
191.07037	42.2
196.08801	5.4
199.07625	2.3
201.05470	3.1
201.12747	63.0
205.12189	5.2
211.11183	13.1
214.09882	3.4
219.06558	5.0
219.13757	5.8
229.05029	4.2
229.12228	65.7
229.15739	3.0
247.06004	32.8
247.13289	87.2
247.16940	3.7
265.07001	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	248.1647
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
57.03440	0.3
57.21125	0.3
67.05477	0.7
69.03416	0.4
69.07043	0.4
70.06587	0.3
70.41291	1.0
81.07037	0.7
84.08107	0.5
85.94835	0.3
91.05473	0.6
93.07037	0.6
95.08611	0.4
105.06998	1.1
107.08586	0.4
115.05557	0.4
117.05758	0.5
118.06543	5.4
119.08550	0.5
120.08074	0.5
121.06468	0.5
129.06950	0.5
131.07323	0.4
131.08505	0.6
132.08098	3.2
133.06494	0.3
133.08844	0.7
134.09668	0.8
144.05663	0.4
144.08005	0.4
145.08878	0.3
145.10007	0.3
146.09627	2.0
159.08080	0.8
160.11214	0.6
167.53957	0.4
174.12798	1.3
176.14348	13.5
177.14836	0.3
178.08569	0.4
187.07600	0.5
190.08638	12.9
200.43381	0.3
202.08630	0.5
202.15924	3.1
203.16708	1.0
204.10196	6.4
205.10941	1.5
206.11850	0.4
207.13934	0.3
218.11772	5.0
220.09923	0.3
231.10225	0.4
248.16466	100.0
249.11249	1.8
249.16806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45265	1.3
55.05490	2.7
58.06588	2.4
70.06570	5.1
70.33799	3.2
70.34200	2.8
71.04979	2.1
72.08160	8.3
84.08117	2.4
85.02922	1.7
88.03984	1.4
98.06047	1.9
102.05495	1.7
116.07084	1.5
119.01943	3.4
133.03555	1.5
142.08635	2.8
144.02795	2.9
144.06546	1.7
148.06009	1.5
167.03156	1.8
176.31923	1.3
187.02246	1.3
203.11449	2.8
229.03188	32.1
247.04245	100.0
247.07953	12.6
247.13989	1.8
247.16685	4.9
248.03813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03935	4.5
55.01875	2.1
55.05503	6.0
57.07058	2.1
59.04973	1.5
60.29930	1.5
65.03925	3.3
67.05513	8.6
68.99809	1.6
69.03427	21.8
69.07052	3.6
71.49871	2.3
75.13226	1.4
77.03957	1.7
77.10824	1.5
79.05495	11.5
80.29136	1.3
81.07043	12.3
83.04980	21.5
84.08111	1.6
91.05473	16.9
93.03397	4.6
93.07031	18.7
95.04948	6.5
95.08614	8.2
95.75487	1.3
97.02885	9.1
97.06579	2.3
102.60297	1.5
103.05443	3.0
105.04532	1.7
105.06516	1.4
105.07037	16.0
107.04974	3.3
107.08591	18.3
109.02876	10.9
109.06519	12.2
109.10118	4.4
109.88315	1.5
111.04408	6.9
111.08075	3.1
115.05432	4.4
116.06230	1.9
117.07014	15.6
119.08588	23.3
121.02853	4.8
121.05819	1.4
121.06528	17.9
121.08615	1.6
121.10126	11.9
123.08039	3.3
125.09694	1.5
128.06232	4.4
129.06998	7.2
131.04964	2.1
131.08571	17.0
132.05711	2.4
133.06480	1.6
133.10139	8.9
135.04388	2.5
135.08049	27.2
135.11696	4.9
137.05954	4.9
137.09601	4.8
139.03862	2.4
141.07007	3.1
142.07745	4.3
143.08542	12.0
144.05743	2.0
144.09291	9.0
145.06465	12.2
145.10120	13.5
146.05994	1.7
147.08015	6.2
147.11711	1.8
149.05937	3.2
149.08566	2.3
149.09636	23.3
149.13251	1.7
150.10400	2.5
151.07526	2.1
151.11134	5.4
153.07010	3.1
153.09129	2.2
155.08539	5.9
157.10118	5.1
158.06035	2.7
158.07274	3.3
158.10941	9.0
159.08051	14.3
159.11694	25.7
160.07576	2.6
160.08823	6.6
161.05920	2.1
161.09596	6.8
163.03986	6.9
163.07535	21.2
163.11180	3.2
165.09149	3.2
167.08592	2.8
168.08041	1.5
168.09306	6.4
169.10114	4.2
170.10893	5.4
171.08005	9.4
171.11655	1.7
172.07515	1.8
172.08855	19.3
173.09621	32.5
173.13264	38.6
175.04012	1.6
175.07533	3.1
181.06509	2.8
183.11690	11.1
186.10394	23.1
187.07578	3.8
187.11182	100.0
189.09090	3.7
191.07031	43.3
193.10165	2.4
196.08794	5.0
199.07715	1.7
201.05359	1.5
201.12743	55.4
205.12173	7.9
211.11232	9.5
214.09834	4.7
219.06425	3.4
219.13789	6.5
229.05028	2.7
229.12236	69.5
229.15747	2.7
247.05917	12.7
247.09442	3.0
247.13266	86.0
247.16956	5.0
247.24303	4.8
265.07040	1.7
269.50015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.8
56.05016	0.7
57.03440	0.4
57.73817	0.4
58.06581	0.4
60.04527	0.4
60.08143	0.3
62.42333	0.3
67.05491	0.4
68.05004	0.5
70.06595	18.6
71.04981	0.5
71.49328	0.5
72.08160	1.0
72.93776	0.5
73.02894	1.0
75.01208	0.4
79.05495	1.2
81.03405	0.4
81.07066	2.1
82.06562	0.4
84.04505	3.9
84.08154	2.4
85.02887	0.6
86.09704	1.1
96.08124	1.1
97.02886	0.4
99.04479	0.4
99.08105	0.4
100.07620	1.1
102.05502	0.8
107.04977	0.9
109.06488	0.5
110.06034	0.5
111.00768	0.6
111.94241	0.4
114.05566	0.6
116.07076	0.8
120.08121	0.6
124.07576	1.5
124.11239	13.7
125.05995	0.6
126.09186	0.6
128.07059	0.7
129.10239	0.6
130.04958	2.1
130.06528	0.9
130.08595	0.6
132.95784	0.5
135.04413	0.6
136.04767	1.1
137.02345	0.5
142.12276	0.7
145.06548	0.4
146.05984	0.7
147.06355	0.6
147.11432	0.6
148.06018	1.1
156.06393	0.6
159.38068	0.4
163.03883	1.1
170.11765	100.0
171.12144	1.0
173.06026	0.5
173.07965	0.4
182.06511	0.7
182.07980	0.5
183.08943	0.4
200.07193	0.6
200.09058	0.8
201.05405	0.9
204.03842	0.4
210.05750	0.4
214.14365	0.8
216.08861	0.5
218.10048	0.6
228.06927	0.8
228.12256	0.9
229.04971	1.5
237.93385	0.4
242.30859	0.4
246.04837	8.1
246.09445	1.3
246.13454	3.7
246.18521	0.8
246.24164	0.5
247.06041	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	245.1901
Annotation	(-)-Falcarinol
Peak:m/z	Relative Intensity
53.03936	1.4
54.01696	1.1
55.05513	8.6
57.03416	1.9
57.07057	4.0
58.07430	1.4
62.06084	14.9
63.06409	2.9
67.05505	14.3
69.03408	1.3
69.07057	7.7
70.06548	1.4
71.04982	3.8
71.08627	1.7
71.49815	2.0
77.74997	1.1
79.05501	10.0
81.06593	2.5
81.07057	39.6
83.04966	2.0
83.08598	4.6
85.06546	14.2
87.92383	1.2
91.05485	16.7
93.06480	2.4
93.07045	31.8
93.07906	1.4
95.04950	2.4
95.08612	29.5
96.08892	1.2
97.06513	5.4
97.10158	2.9
99.08093	2.7
103.05471	1.8
104.67661	1.2
105.07036	45.0
107.07886	1.9
107.08598	30.5
109.06513	3.9
109.10150	13.9
111.08084	3.1
115.01186	1.0
117.06978	5.8
119.07726	2.1
119.08585	42.0
121.06505	2.3
121.10123	12.9
123.08048	2.6
123.11712	4.1
125.09608	2.0
128.06271	1.9
129.07001	5.8
130.07793	2.2
131.08578	15.9
133.10127	18.7
135.11696	7.1
142.03215	5.6
142.07727	3.3
143.08578	18.1
145.10132	36.0
147.11700	34.3
149.09602	1.3
149.13261	11.5
151.11127	3.5
153.12708	1.3
156.09378	6.1
157.10132	24.3
158.10994	1.4
159.11693	18.9
161.09735	1.6
161.13220	7.2
163.11159	2.8
169.10207	1.4
170.02718	2.2
170.10834	1.9
171.11690	26.3
173.13283	5.1
175.14819	2.7
176.90469	1.4
183.11725	2.3
185.13268	15.3
187.14819	20.6
189.12750	4.9
189.16336	2.3
199.14822	12.5
201.16368	17.0
203.14348	2.3
203.17937	3.8
217.15953	3.6
217.19489	4.2
227.17958	56.1
245.04333	2.0
245.19026	100.0
245.23022	3.5
246.19502	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	245.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01865	4.1
55.05507	12.6
57.07060	3.5
67.05504	14.1
69.07053	7.8
70.09308	9.1
71.04991	4.7
71.16920	2.2
79.05491	12.2
80.05015	2.6
81.06606	2.7
81.07061	41.7
81.67008	2.0
83.04990	4.9
83.08611	5.1
85.06545	15.8
86.09701	3.0
90.72849	2.0
91.05473	17.5
93.07048	35.1
95.04952	2.9
95.08609	29.2
97.06530	4.7
97.10153	4.1
105.07028	45.8
107.08600	33.3
109.06583	2.2
109.10164	13.1
112.06824	1.8
112.37425	2.1
114.03744	2.8
115.05392	2.0
117.07019	8.0
119.07804	3.8
119.08578	40.9
121.06491	2.5
121.10138	16.0
123.08051	2.5
123.11727	5.8
128.06169	2.4
129.07018	4.9
131.08585	22.8
133.10136	22.4
135.08046	4.4
135.11685	7.5
137.09605	4.5
142.03204	12.3
142.07735	4.7
143.08572	21.3
145.10121	35.4
146.06093	2.1
147.08110	2.3
147.11673	35.7
149.13255	8.6
151.11156	3.9
156.09355	4.8
157.10124	25.3
158.10825	2.4
159.11711	21.0
161.09691	2.6
161.13266	7.6
162.00789	2.3
163.11250	2.4
170.02728	2.6
171.11673	27.2
172.12369	2.0
173.13293	6.0
185.09723	3.2
185.13231	16.0
187.14832	21.1
189.11314	2.3
189.12799	3.8
199.14836	10.4
201.16409	14.9
203.10741	6.7
203.14233	2.3
203.17975	5.1
217.15862	4.5
217.19522	2.9
227.17941	53.6
245.04485	5.1
245.15349	6.3
245.19020	100.0
245.22804	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.17528	0.3
62.73223	0.3
69.07064	0.6
70.06601	0.6
71.14303	0.4
72.87247	0.2
80.05016	0.7
84.08155	0.4
86.09706	100.0
87.10052	0.3
110.62746	0.3
114.03744	0.4
124.60587	0.3
125.35900	0.3
132.10201	3.7
136.32010	0.3
142.03220	3.1
170.02744	0.7
186.11528	0.4
199.18015	1.6
211.49455	0.3
245.04381	2.1
245.12906	0.6
245.18581	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	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.58224	0.3
56.05015	0.5
58.06586	0.4
63.33208	0.2
69.07069	11.3
69.60664	0.5
69.61058	1.6
69.79092	0.2
70.06581	0.7
76.33888	0.3
80.05017	0.6
80.27354	0.2
81.07072	0.3
81.14709	0.3
82.24264	0.2
84.04525	0.3
84.08160	0.6
85.97857	0.2
86.06081	0.4
86.09705	100.0
95.08656	0.3
97.06501	0.4
107.08606	0.4
114.03769	0.7
119.08554	0.6
120.08075	0.3
123.84068	0.3
130.49739	0.3
132.10193	2.0
142.03221	4.0
147.04457	0.4
147.41968	0.3
157.07597	0.4
158.05972	0.3
170.02737	0.5
171.04453	0.3
171.07970	0.3
172.20737	0.3
173.13231	0.4
175.03949	0.3
189.05177	0.3
199.03752	0.4
199.18051	0.7
203.03534	0.3
211.66040	0.3
245.04451	9.5
245.08076	0.4
245.13600	1.3
245.18623	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	245.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26184	1.4
55.02997	1.9
55.05527	2.2
58.06601	4.3
59.04871	4.3
60.05650	34.1
67.54321	1.3
68.05028	4.4
68.28089	1.2
69.05817	3.6
69.86634	4.8
70.06594	77.1
71.04995	9.4
71.06927	2.7
72.08158	38.7
72.08548	2.9
82.41254	1.2
82.99865	1.6
83.06145	1.3
84.08147	4.5
85.08498	1.4
86.06073	16.3
86.07208	1.8
87.07965	14.8
88.07634	4.4
97.07644	16.2
97.08925	5.4
98.06084	2.7
98.09697	12.1
100.07644	10.7
101.00876	10.3
101.06023	1.4
107.37959	1.3
112.08707	8.0
113.00951	2.3
113.05432	1.3
113.07137	2.4
114.10290	56.7
116.07121	5.2
117.10276	5.8
119.01937	7.9
119.06913	1.2
122.90508	1.2
124.11240	3.2
130.08783	1.1
130.09763	35.4
130.10744	2.2
131.01936	2.3
131.78477	1.3
131.96230	1.6
132.06599	2.9
137.00900	1.5
140.10706	100.0
141.11092	1.4
142.12274	62.0
143.01965	1.8
145.03459	1.8
155.01929	4.1
157.03468	1.7
158.08122	3.6
158.09322	9.5
160.10878	2.0
161.02983	2.8
166.13446	4.6
167.01952	3.9
173.03017	3.7
174.11205	3.6
184.14548	5.7
185.02946	10.1
186.11237	18.6
197.03082	4.1
201.17102	16.6
203.04037	2.9
210.12373	7.3
227.15187	3.5
228.13521	4.9
245.05171	2.1
245.07620	24.0
245.11461	4.6
245.16185	98.2
246.18193	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	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51921	1.3
53.03931	2.8
54.30387	1.2
55.01873	7.2
55.05513	81.0
57.03440	29.3
59.04979	1.9
67.05186	1.3
67.05505	18.0
69.03435	7.6
69.07076	11.7
69.17091	3.3
69.17508	11.2
79.05499	20.4
81.07054	20.4
83.04952	5.1
83.08619	50.1
85.06534	1.8
91.05467	3.5
93.07055	6.8
95.08605	2.5
97.10173	100.0
98.20674	2.2
105.07031	2.1
107.08598	27.1
109.10122	4.3
110.71159	1.4
111.08011	3.3
117.07025	2.3
119.08585	2.3
125.09632	94.2
133.10136	1.8
135.08057	8.9
142.03218	2.7
143.10638	5.7
153.09131	6.8
159.11661	1.4
161.05843	1.6
171.10173	12.2
185.09615	1.7
187.14722	2.0
189.11220	75.6
203.10672	3.4
227.17874	2.0
245.13786	55.8
245.18977	2.9
245.22557	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	245.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01873	9.8
55.05512	78.3
57.03441	31.2
59.04993	3.9
67.05502	21.6
69.03432	9.6
69.07076	10.6
69.27502	5.6
69.27934	6.3
79.05498	19.9
81.07059	20.1
83.04958	4.6
83.08619	49.1
85.06532	2.0
91.05476	4.2
93.07027	9.4
94.13326	1.3
95.08655	3.2
97.10172	99.7
98.20761	2.3
101.09679	2.8
105.07013	4.1
107.08596	29.7
109.06504	1.6
109.10137	5.1
111.08077	3.1
113.28489	1.6
117.07033	2.9
119.08549	3.3
119.36881	1.3
121.10130	3.6
125.09634	100.0
125.99487	1.4
129.06949	1.5
131.08603	2.0
133.10139	3.2
135.08061	8.9
142.03235	1.8
143.10675	5.4
145.10107	3.1
147.11588	2.8
147.70406	1.3
153.09106	4.9
153.75998	1.3
159.11748	2.6
171.10159	11.3
171.11554	3.0
173.13278	7.8
175.14761	1.4
189.11220	78.0
189.16492	1.5
227.12726	2.1
227.18021	2.2
245.13844	61.0
245.18979	11.8
245.22557	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	245.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
54.78553	1.2
55.01869	9.5
55.05515	98.1
57.03441	32.2
59.05002	2.9
67.05187	1.8
67.05509	26.2
69.03436	11.0
69.07066	13.0
69.75684	2.0
69.76090	5.1
79.05067	2.3
79.05494	24.9
79.87366	1.4
81.07058	18.6
83.04998	6.8
83.08624	50.1
83.15925	1.3
85.06544	1.9
90.54018	1.2
91.05490	3.7
93.07050	8.5
95.08614	3.1
97.10179	100.0
98.21500	1.8
101.09648	2.6
105.07049	2.7
107.08605	30.2
109.10180	4.4
111.08076	2.0
117.06985	1.8
119.08566	3.3
121.10107	2.1
125.09641	94.5
125.34245	1.3
131.08481	1.4
133.10106	2.2
135.08029	7.8
142.03197	3.7
143.10692	7.3
147.11711	2.5
153.09102	4.6
157.10065	1.4
161.13106	1.7
169.85439	1.4
171.10187	11.2
171.11559	2.5
173.13246	2.9
181.24623	1.3
182.58905	1.5
184.85860	1.3
187.02257	1.4
189.11227	78.6
221.69890	1.3
227.17987	3.0
245.13841	60.0
245.19075	5.7
245.22632	4.2
261.99973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77287	0.3
53.03941	0.6
55.05503	1.3
57.03426	0.3
62.68839	0.2
67.89402	0.3
68.05022	0.7
68.08063	0.3
70.06587	1.2
71.04984	0.4
71.43040	0.4
72.08144	0.3
76.02225	1.2
79.05491	4.7
80.05014	1.8
81.05800	4.4
81.07053	5.1
82.06574	0.4
84.04517	2.0
84.08138	1.0
85.02901	0.5
86.06075	1.9
86.09708	0.5
92.49020	0.3
94.06596	1.7
96.04493	1.5
96.08133	18.9
98.09652	0.3
106.06570	3.1
107.04955	0.8
111.04445	0.3
114.03758	1.0
114.05492	0.3
122.02740	1.2
122.06070	0.6
124.07591	100.0
125.07919	0.8
130.05011	2.0
132.06552	0.5
132.95807	0.3
135.04384	0.6
142.03230	5.0
142.04997	0.4
156.04787	11.9
170.02689	0.6
181.06471	0.5
182.11696	1.4
184.09770	0.5
199.05518	0.5
199.07579	0.3
199.09018	7.4
201.12323	0.7
203.08258	0.3
207.14723	0.3
228.03259	0.6
228.06958	1.1
228.12257	0.6
245.04179	1.7
245.09586	6.9
245.11803	0.6
245.15015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.3
55.05516	80.0
57.03443	31.0
57.07091	2.5
59.05016	2.1
59.92758	1.8
67.05506	23.8
69.03446	11.5
69.07069	13.9
70.67236	3.7
70.67580	2.6
79.05495	22.5
81.07060	19.2
83.04977	5.9
83.08624	45.4
83.31667	1.9
85.06511	2.1
85.20593	2.1
87.04474	3.2
91.05476	8.2
93.07036	10.8
95.08585	5.2
97.10172	100.0
101.78493	1.8
105.07048	5.9
107.08601	33.1
109.10155	5.7
115.03941	2.7
117.07050	3.9
119.08578	7.1
125.09637	88.4
131.08568	4.4
133.10136	4.9
135.08067	12.0
142.03235	8.8
143.10709	4.3
145.10110	4.3
153.09105	7.5
158.10939	2.5
159.11693	3.7
161.09630	1.9
161.13254	4.1
164.89909	2.2
171.10214	10.5
173.13292	6.2
185.13231	2.7
187.14786	3.8
189.11224	82.0
201.16438	2.0
207.75642	2.0
224.40034	2.3
227.18016	3.7
229.73143	2.4
245.04515	3.5
245.11917	2.9
245.13837	61.4
245.19043	15.5
245.22867	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	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95844	0.4
62.70671	0.3
68.98280	0.5
69.03423	0.5
69.12004	0.3
70.99832	0.3
71.07460	0.5
72.47952	0.2
72.85469	0.3
81.03410	0.6
82.99825	1.5
84.99609	0.3
85.01393	0.4
86.99321	0.6
97.01377	0.2
97.02896	1.3
98.97569	1.2
101.00885	14.5
101.77168	0.3
102.00936	1.2
102.96859	2.1
103.00637	3.4
105.00392	0.6
106.14614	0.3
106.62098	0.2
108.07118	0.2
113.00849	1.9
115.02418	1.1
116.98622	0.5
119.01924	20.7
120.02026	1.9
120.97916	1.2
121.00880	0.3
121.01678	5.2
124.97557	0.3
125.00820	0.2
126.00665	0.3
127.02366	0.8
127.03924	0.4
129.00328	0.6
129.03963	0.4
131.01926	3.3
131.05540	0.8
133.03485	1.9
136.99664	0.3
137.00873	0.3
137.02953	2.4
138.98932	0.5
139.02586	1.0
142.03499	0.4
142.98598	1.4
143.01909	10.1
144.01942	0.4
145.03462	3.2
147.01329	1.1
147.04988	0.4
149.06560	0.5
155.01917	2.3
157.03465	5.8
158.99927	0.4
159.01414	0.5
159.05017	0.6
160.99658	4.7
161.02963	22.9
162.02982	0.3
163.04555	0.4
167.01921	0.8
167.99286	0.4
169.03500	0.7
171.04970	0.5
172.94296	0.3
173.02962	4.4
175.00980	0.3
175.04556	4.2
177.00911	1.3
177.02730	0.5
177.09714	0.4
178.01093	0.9
179.00696	21.3
179.04007	1.0
184.04550	0.5
184.99666	0.9
185.02956	6.9
187.04529	2.1
189.06104	0.5
191.03947	0.8
197.03015	2.1
199.00705	0.4
199.04482	0.8
201.01012	0.3
201.02744	0.4
202.94818	0.3
203.00743	3.0
203.03999	6.8
203.11253	0.5
215.04065	1.5
217.01979	0.3
217.05530	0.7
219.01947	1.7
219.03893	3.4
220.02136	0.7
221.01778	27.1
221.05211	1.1
222.01984	1.7
223.02260	0.3
226.05508	0.3
227.00578	1.9
227.04065	1.5
233.04968	0.5
236.00536	0.8
239.98511	0.4
245.01843	12.0
245.05060	13.7
245.12350	2.4
246.05307	0.3
251.19498	0.3
261.03049	0.5
263.02875	100.0
264.03012	2.4
265.03372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85457	0.4
55.05505	3.0
57.03426	0.9
57.07076	10.5
58.97144	0.4
63.04964	0.5
67.05499	4.5
68.24664	0.5
69.07065	2.1
70.06589	0.7
71.04998	1.2
71.08634	15.5
71.49326	0.9
72.08155	98.8
79.05511	0.7
81.07054	11.6
82.07405	0.5
83.08636	1.0
84.08140	0.6
85.06571	0.8
85.10184	8.9
88.07632	1.2
89.10806	2.9
90.17212	0.5
91.05476	1.3
93.07054	0.5
95.05803	0.6
95.08604	10.0
102.09190	0.8
105.07040	1.4
107.08595	0.9
109.10152	0.8
117.07098	0.6
117.09968	0.5
117.77379	0.5
119.08602	1.0
120.04501	0.4
123.11729	1.3
131.08583	0.7
133.10172	0.9
137.13268	1.7
140.01523	0.5
141.07024	0.6
145.10194	0.6
147.11705	0.6
155.14310	17.9
159.11678	0.7
169.10208	0.5
172.16971	4.3
184.16809	0.7
187.14853	0.6
189.92471	0.5
196.38910	0.5
197.09541	0.6
200.09424	1.2
207.06578	0.6
226.21657	100.0
227.21869	0.8
243.06441	1.1
243.11171	4.0
243.13809	1.6
243.17488	1.6
243.24319	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	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05514	0.8
56.05035	5.0
56.96558	1.6
57.03419	1.0
57.07083	1.1
59.61645	0.6
60.05645	3.3
67.05520	1.5
69.03432	1.2
69.07074	5.5
70.06587	14.0
71.04986	1.0
71.48714	1.2
72.08150	3.1
72.93774	2.0
79.05477	1.1
81.07068	1.7
83.04993	1.2
84.04506	78.4
84.08147	6.9
84.96037	0.7
85.02917	1.4
86.09707	100.0
90.94810	1.2
91.05487	1.7
95.04956	2.0
97.02925	1.1
97.06550	1.5
98.06114	0.8
99.04409	0.8
100.11256	0.7
105.07019	0.9
107.04949	1.6
109.08480	0.7
110.06042	0.8
113.07150	0.9
114.05513	0.7
115.05479	1.0
115.08637	0.8
116.07134	4.8
116.98651	0.7
119.04955	1.1
123.04402	1.2
123.08081	0.7
124.03915	0.8
124.07636	0.9
125.04313	1.2
125.05981	0.8
127.08658	0.7
129.06587	4.0
129.10281	0.9
130.09796	0.7
132.04456	0.8
132.10207	40.4
137.06047	0.8
138.05475	0.9
140.01630	1.0
141.05571	1.2
141.06506	4.4
142.94252	0.9
152.10776	1.0
153.07083	1.0
155.08447	0.7
158.09297	2.0
160.95290	0.9
165.07030	1.9
169.05171	0.8
169.06667	2.0
175.11952	1.7
183.08139	2.3
186.02237	5.1
197.03854	2.1
197.06084	2.5
197.12868	34.5
211.07616	2.7
212.08189	0.7
215.07021	1.2
219.96690	1.6
225.05653	0.9
225.12459	1.7
242.70306	0.9
243.04402	1.6
243.06270	4.0
243.10233	4.0
243.13385	7.1
243.18199	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	243.1016
Annotation	4,5-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03936	1.7
54.40329	1.2
55.01878	9.6
55.05506	1.6
57.03437	7.6
57.07065	1.1
61.02930	9.5
61.04550	1.0
65.03940	1.8
67.05497	3.3
69.03429	1.6
69.07062	2.9
70.06591	9.0
71.05000	2.7
71.48535	1.1
72.08157	4.4
73.02911	1.3
79.05498	4.9
81.03422	2.5
81.07061	3.6
83.01339	1.2
83.05008	1.3
83.63020	1.2
84.04504	2.7
84.08150	10.5
85.02908	2.4
85.06528	1.2
86.06078	2.8
86.09702	6.7
91.03957	3.9
91.05479	25.8
93.07049	3.2
95.04965	10.0
95.08594	1.6
97.02902	1.7
97.06525	17.7
98.97566	1.4
100.11270	1.6
102.04031	1.0
103.05507	1.5
104.97017	1.1
105.04552	1.2
105.07024	5.1
107.04970	8.1
107.08585	1.5
109.02904	2.1
109.06541	7.9
109.10146	1.2
111.04441	2.1
111.30303	1.0
113.02427	1.3
113.06020	8.1
115.05457	4.1
116.07110	1.5
118.04173	4.3
119.04943	39.1
119.32738	1.1
121.06501	14.4
123.04417	10.9
123.08057	1.2
123.53369	1.1
124.07631	1.0
125.05984	5.3
128.06192	1.4
129.07022	2.6
129.10165	1.3
131.08582	1.1
133.06493	5.5
134.03632	5.0
135.04373	2.5
137.05959	8.7
139.77190	1.0
141.05478	1.8
141.06998	12.3
144.05676	1.5
145.06505	4.4
147.08073	5.8
147.24046	1.1
149.02388	1.1
149.05978	12.8
150.06761	1.0
151.03940	1.1
151.07538	3.8
153.05591	2.0
153.06985	28.3
154.07794	5.3
155.05949	1.7
155.07065	6.1
155.08562	25.3
157.06487	3.4
163.07559	1.3
165.07004	100.0
166.07431	1.2
167.07076	3.9
168.05733	3.8
168.88794	1.2
169.05112	1.2
169.06512	3.2
169.59071	0.9
173.05981	1.3
179.07051	2.4
179.08606	3.1
181.06476	7.1
181.08594	5.9
182.07262	6.9
183.08060	96.7
186.02211	2.0
193.06496	6.3
193.07741	5.9
195.08112	2.1
197.06038	4.7
197.08093	12.2
197.09654	5.6
207.08072	3.1
210.06796	2.2
211.07541	99.8
212.08235	4.2
215.07039	2.9
215.09068	2.1
225.07407	2.7
225.09203	3.6
228.07852	1.9
243.08336	7.6
243.10506	32.0
243.13792	1.9
243.17778	3.7
243.21767	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.8
60.87257	0.1
62.24094	0.1
71.48362	0.2
71.85581	0.1
71.95256	0.2
75.19212	0.1
80.43132	0.1
82.99839	1.0
91.49352	0.1
98.97580	5.4
99.97923	0.3
100.97205	0.2
100.97921	0.1
101.00880	8.5
102.00946	0.1
116.98626	2.6
119.01920	11.0
120.01971	0.3
122.97821	0.3
134.99814	1.1
137.02939	1.2
140.98820	2.2
153.00890	0.2
157.02072	0.1
158.99890	6.0
160.00142	0.2
165.99725	0.3
175.03014	0.5
177.00952	22.1
178.01050	0.8
179.99025	0.2
181.01913	0.2
182.99843	1.4
183.01312	0.2
193.04140	0.3
195.01947	0.1
197.00621	0.2
199.03052	0.2
200.02650	0.1
201.00919	3.8
201.02386	0.3
202.01059	0.3
206.26721	0.1
213.02499	0.3
215.04074	0.1
217.04079	3.3
218.04236	0.2
219.02000	27.2
219.94495	0.6
220.02106	1.8
221.01930	0.2
224.00105	0.2
225.00815	2.3
234.00735	0.7
237.02826	0.1
237.95444	0.3
237.98672	0.3
238.03320	0.2
242.03572	0.3
242.96225	0.5
243.01982	13.2
244.02141	0.3
249.37392	0.1
261.03052	100.0
262.03201	3.0
263.03470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.12080	0.2
58.06602	17.8
70.06598	3.0
70.83387	0.4
70.83735	0.3
72.08150	0.3
81.03404	0.6
84.08146	10.5
85.06532	0.3
96.16955	0.2
98.09697	1.1
100.11248	0.6
114.05525	0.4
116.07103	0.4
124.07565	0.3
126.05489	0.3
126.09178	0.3
128.10732	3.8
144.10176	1.2
156.96457	0.2
160.06627	0.2
168.10245	1.1
193.77620	0.2
196.09709	5.4
213.16071	0.3
241.15482	100.0
242.15822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	19.3
70.06582	3.0
70.68299	0.5
72.08125	0.3
81.03410	0.7
84.08140	9.1
90.29705	0.2
98.06081	0.3
98.09705	1.4
100.11233	0.5
104.10743	0.4
114.05560	0.4
116.07104	0.5
126.05526	0.4
126.09109	0.4
128.10712	3.9
144.10175	1.2
168.10210	1.3
196.09694	5.3
213.15981	0.4
241.15463	100.0
242.15724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.15
Annotation	Leuhistin
Peak:m/z	Relative Intensity
53.03934	0.9
53.21039	0.8
54.03469	1.1
55.01876	1.5
55.05519	0.9
56.04790	1.4
56.05037	14.5
57.03440	6.0
65.03947	1.0
67.05492	3.5
68.05030	41.0
69.03428	1.6
69.07070	46.9
70.02958	1.0
70.06595	15.0
72.08149	3.0
74.02439	4.2
79.05524	0.8
80.05009	1.5
81.03416	2.9
81.07067	1.1
82.06570	1.4
83.06104	100.0
84.04498	5.4
84.08141	8.3
85.04034	2.1
85.08469	0.9
86.09712	12.5
91.00672	0.8
91.05473	1.0
94.02924	1.2
95.04972	5.5
96.04491	1.2
96.08131	1.9
97.02926	0.8
97.06525	3.7
108.04494	1.8
109.02850	1.8
109.05267	0.9
110.06039	5.4
110.07165	1.8
111.05569	24.9
112.07602	11.1
112.11253	1.2
113.10804	1.3
114.05511	0.9
116.07103	1.6
123.04451	4.5
124.03954	15.0
126.05542	2.1
126.09119	1.0
129.05684	1.4
129.06610	8.6
129.10252	6.2
130.08655	2.7
132.10181	1.7
136.03951	1.5
138.05504	1.6
140.07068	44.9
141.05469	1.5
141.10214	1.4
150.05592	1.1
150.09157	1.5
152.14369	1.0
154.05009	1.0
158.95799	0.9
165.05360	1.0
168.06564	46.0
169.13408	2.1
177.04347	4.4
178.04893	1.0
178.08621	0.9
179.11877	1.0
186.02121	1.3
195.05420	2.0
196.04329	1.7
196.06067	2.3
196.09637	2.8
196.14447	6.7
197.16515	2.0
199.10777	3.8
224.09172	3.4
225.15999	5.4
242.04572	1.1
242.06607	1.8
242.10251	22.1
242.15009	85.4
242.18698	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	239.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66222	0.8
55.05486	0.8
58.91559	0.6
59.00154	0.7
67.05465	0.9
69.07078	0.9
69.95450	1.4
69.95821	3.0
70.06580	1.6
79.05502	0.9
80.17548	0.6
81.07044	1.4
84.04494	0.8
84.08130	2.1
87.04459	2.3
89.06030	100.0
90.06354	0.9
91.05453	1.2
95.04971	0.8
95.06021	0.8
95.08614	1.2
105.07010	0.9
106.06572	1.6
107.07007	3.4
107.08559	0.8
119.04971	1.0
119.39289	0.7
133.04741	0.7
133.08601	32.1
138.05489	1.1
151.03969	1.5
151.09669	2.2
166.04950	1.4
177.11267	2.0
189.07164	0.8
193.06766	1.3
193.08472	1.2
195.12335	2.0
230.92982	0.8
239.08832	4.6
239.15157	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	239.9951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43172	1.6
55.01868	2.9
55.93514	8.3
56.94310	16.1
56.96548	2.0
61.64121	1.8
63.33728	1.6
65.49467	1.8
68.94276	1.7
69.03413	1.8
70.03928	7.9
70.95475	2.6
70.95865	54.8
71.92997	6.0
72.93787	75.0
74.95333	4.3
81.03422	4.4
82.95844	13.9
86.95323	6.0
88.96903	19.1
89.94029	3.1
90.94827	25.1
98.20926	3.5
98.21442	2.5
98.97569	6.9
100.96872	6.9
102.94804	3.2
110.95306	3.6
113.96371	12.2
114.94849	2.7
114.98499	1.8
116.96348	7.0
116.97144	2.0
118.89944	2.0
118.94290	5.6
128.95483	2.6
128.96361	29.8
130.97900	2.5
131.97441	3.3
132.95834	41.5
136.95306	2.7
142.97906	32.7
144.95825	16.0
146.97375	7.7
150.96881	13.9
151.97794	2.3
152.96408	1.7
155.97392	3.3
156.95824	4.5
158.97377	2.8
160.98973	10.2
162.96864	5.6
168.95891	2.4
170.97395	88.5
172.95348	5.7
174.96869	10.1
175.53549	1.8
184.95299	11.0
186.96762	2.6
188.98445	31.9
190.96304	3.0
192.97946	6.1
193.98970	4.0
198.95131	3.8
198.96881	50.9
198.98735	2.8
202.96391	6.7
204.97993	2.1
207.96921	6.9
209.98517	13.0
216.97939	100.0
221.01866	1.9
221.98586	2.2
227.99432	2.5
234.99005	60.9
239.99535	85.3
240.09230	6.1
258.00635	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	240.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73176	0.2
51.02383	0.6
53.03949	4.7
54.04246	0.3
55.01866	0.4
67.87052	0.2
69.59801	1.3
72.51499	0.3
77.03924	1.4
81.03415	0.6
81.07035	0.3
84.04523	0.3
91.95767	0.2
93.07095	0.3
95.04975	4.2
104.04982	0.2
105.03391	100.0
105.04543	2.7
106.03721	1.0
114.05518	0.2
119.03575	1.4
137.04588	5.7
195.89998	0.2
218.70500	0.2
222.07733	2.8
240.08798	44.5
241.09082	0.7
261.16547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.9
69.61773	3.3
69.62185	1.5
70.00362	0.7
70.06593	1.5
73.06564	1.3
81.07082	1.0
87.04447	1.7
89.06030	100.0
107.07003	1.3
112.10902	0.8
133.08601	32.1
138.05560	1.0
151.03899	1.9
151.09604	1.8
168.00429	0.8
177.11201	3.6
177.52986	0.9
193.06856	1.1
195.12268	2.5
239.08977	1.8
239.15016	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	238.1074
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
53.03978	0.5
54.30879	0.5
55.05513	0.7
56.05040	0.5
56.63129	0.5
56.96581	0.8
64.80346	0.5
65.03957	0.5
67.05503	0.6
68.05034	1.9
68.31738	0.4
69.07079	1.0
70.06594	6.3
70.45134	1.6
72.08150	1.6
73.02902	0.8
79.05505	4.0
81.03421	1.6
84.04494	3.1
84.08144	2.3
85.02895	0.5
86.09694	0.9
88.04003	0.7
89.03899	0.5
90.05577	0.6
90.64495	0.5
90.94840	0.5
91.05480	4.8
93.07036	1.0
93.69891	0.5
94.06554	0.7
95.05010	0.7
103.05472	8.8
105.07034	14.9
106.06525	2.3
107.04961	4.3
108.04486	0.8
109.02883	1.5
110.06065	1.3
114.05529	2.9
116.07092	1.5
117.05772	2.6
117.92301	0.5
118.06541	9.4
119.07333	11.2
119.08600	1.3
120.04443	0.5
120.08105	14.9
121.06490	1.4
121.07702	0.7
121.08454	6.4
124.03934	2.5
124.99145	1.0
128.06183	1.3
129.07011	8.5
129.10188	0.6
130.06496	0.9
131.04919	4.0
131.07301	1.6
132.04402	1.2
132.05293	1.0
132.08083	5.3
134.05998	1.7
135.04410	1.2
136.07529	3.1
140.07036	0.5
142.05016	2.6
143.00156	1.3
144.08020	1.5
146.09647	94.0
147.06322	1.2
147.09967	0.7
148.03877	0.6
149.05971	0.9
154.04878	0.9
163.03928	5.0
164.07042	2.2
164.10738	2.3
172.95303	0.6
174.09125	0.8
178.08496	1.3
187.31326	0.5
192.06587	5.3
192.10187	100.0
193.10468	1.4
220.06097	1.8
220.09688	1.2
232.97528	0.7
238.07121	5.5
238.10620	10.3
238.14439	1.3
239.08905	1.2
239.14005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26753	0.6
53.03299	0.6
53.03942	0.9
55.05505	1.5
56.96570	1.3
63.89254	0.6
67.05541	0.7
68.05019	1.8
69.61539	0.7
69.85428	3.7
70.06587	3.2
72.08141	2.1
79.05500	23.8
81.03411	0.9
84.04492	3.4
84.08150	2.7
86.09699	2.0
87.00839	3.4
88.04037	0.7
89.03921	2.5
89.06017	1.7
91.05500	0.9
93.07056	1.1
95.04969	1.8
96.04514	0.8
96.20364	0.8
98.21556	0.9
103.05518	1.4
105.06999	0.7
106.06562	100.0
107.04964	16.1
107.06886	1.1
108.04535	0.7
108.05313	0.7
108.08164	0.7
109.02859	0.8
112.08756	0.9
114.05537	2.8
117.03400	3.3
118.06519	1.1
120.08106	4.0
121.06509	3.9
124.99129	4.6
129.10210	1.4
130.06558	0.8
132.04469	9.9
135.04427	28.4
136.06201	16.7
136.07562	2.5
138.05402	0.8
142.05002	2.8
143.00169	7.4
145.02856	3.8
146.09685	1.3
150.05478	1.1
152.07091	2.8
161.01262	3.6
163.03923	21.4
164.04251	0.8
164.07112	2.9
165.33176	0.7
174.05450	1.6
174.12842	2.4
178.08644	2.4
180.58357	0.7
185.01231	3.7
192.06569	51.7
192.10284	2.6
192.13850	2.0
193.06998	0.9
202.35762	0.8
203.02382	1.1
209.54904	0.8
220.06061	2.1
220.09915	1.2
220.11975	2.7
238.05281	1.6
238.07243	4.6
238.10849	2.5
238.12802	7.5
238.18063	3.0
239.08957	2.2
249.02850	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	237.087
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
61.25133	0.2
70.14955	0.5
70.15340	0.4
72.50641	0.2
74.02049	0.3
74.02444	6.0
88.79707	0.2
91.05493	0.5
94.06592	0.3
117.05859	0.2
118.06543	1.8
128.04959	5.8
130.06543	0.5
132.04413	0.7
146.06013	100.0
147.06349	1.2
148.03947	0.7
157.07571	0.3
158.06038	0.3
163.07407	0.2
173.07175	0.3
174.05492	0.4
175.08690	0.5
183.78522	0.2
219.07739	1.0
237.08722	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	237.1234
Annotation	3061-90-3
Peak:m/z	Relative Intensity
55.05507	0.8
56.05028	1.7
65.03932	1.0
69.07045	0.8
70.06593	1.4
70.68117	1.3
71.42453	0.4
72.08147	0.6
75.50509	0.4
79.05491	0.5
79.39503	0.4
81.07079	0.8
83.04978	0.5
84.04507	43.5
84.08145	1.3
85.02914	0.7
86.09717	1.3
89.03905	0.4
91.05483	100.0
92.05840	0.5
93.05779	0.7
95.04948	0.6
95.08629	0.8
97.06518	0.5
102.05530	0.7
103.05439	0.8
105.07052	1.0
107.04970	0.9
107.08625	0.7
108.08121	40.0
111.04398	0.5
119.08656	0.4
120.08138	2.6
121.06505	1.1
128.98679	0.4
130.05003	8.7
130.06488	0.6
134.05981	0.5
135.04468	0.8
146.06015	1.1
148.07599	0.8
150.05489	0.4
163.03961	2.0
163.07668	0.4
166.08670	1.0
173.09572	0.4
177.09152	0.4
191.11830	5.3
192.06616	0.6
194.08240	0.5
200.96965	0.4
220.07518	0.8
220.09697	17.7
230.63673	0.4
237.03839	0.5
237.08975	0.6
237.12431	7.1
237.22171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03932	1.2
54.56554	0.4
55.01849	1.0
55.05508	1.1
56.46914	0.5
57.03423	0.8
57.07078	2.6
59.04998	2.0
67.05507	2.9
69.03423	1.4
69.07057	1.9
71.01633	1.0
71.05001	3.2
78.56829	0.5
79.05492	4.3
81.03411	0.7
81.07055	7.3
83.01338	0.9
83.04975	4.0
83.08609	0.8
85.02895	7.7
85.06539	1.8
91.05495	5.3
93.07043	11.4
95.04963	5.3
95.08603	3.5
97.06528	3.4
99.04461	4.8
105.06382	0.7
105.07030	6.3
107.04941	0.7
107.08597	6.3
109.06515	16.4
109.10172	1.5
111.08080	2.2
115.05460	1.2
117.07027	3.6
118.06541	0.5
119.08588	4.4
121.06512	10.3
121.10118	4.3
123.08050	2.7
123.11762	0.6
125.09631	0.6
128.06248	0.7
129.06996	1.6
130.07816	0.5
131.04936	0.7
131.08565	5.9
133.06458	0.7
133.10094	3.2
134.50726	0.5
135.08049	11.4
135.11702	3.2
137.05978	9.4
137.09692	0.7
139.07574	3.8
142.07838	0.6
143.08569	1.3
144.09328	5.0
145.10139	2.1
146.06017	0.7
147.08054	0.7
147.11671	0.9
149.02419	0.6
149.09641	1.9
149.13274	2.2
151.07547	4.3
153.09132	2.2
157.10127	0.9
158.10884	0.8
159.11687	26.9
161.09671	2.9
161.13246	0.6
163.07545	13.4
163.11162	1.0
164.08327	1.2
173.13289	2.6
175.11198	0.7
177.05487	0.9
177.09180	0.8
177.12730	8.2
177.16350	0.8
179.10690	0.8
181.08624	14.4
182.08371	4.4
183.11620	0.7
191.14352	2.2
192.06497	0.9
193.08691	0.7
201.12811	1.8
208.09981	0.6
219.13814	7.7
219.17421	1.0
237.14877	100.0
238.15276	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	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.03431	2.9
61.39690	0.3
69.43620	1.7
75.79547	0.3
79.05485	1.1
81.07049	4.9
94.04050	1.2
98.20762	0.5
99.08102	0.6
109.85248	0.3
113.86604	0.3
119.03545	3.7
136.06183	100.0
137.04558	1.2
148.06242	0.6
177.05544	0.3
190.10872	2.5
234.13493	63.9
235.13736	1.0
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	CHEBI:69963
Peak:m/z	Relative Intensity
51.49371	2.3
53.03947	2.5
54.96276	2.5
55.01861	4.4
55.05498	6.6
57.03423	3.1
57.07063	5.9
59.04998	3.9
67.05502	12.6
69.03435	14.4
69.07046	4.3
70.06593	5.2
71.01331	3.1
71.04980	4.9
76.02232	3.4
79.05068	3.6
79.05492	38.5
81.03418	4.1
81.07059	16.4
83.04977	4.4
83.08636	3.3
84.08152	2.6
85.02888	2.5
85.06564	4.4
88.07639	3.3
89.07956	2.3
90.37218	2.1
91.05482	31.3
93.07047	18.8
94.57261	2.2
95.04984	22.4
95.08617	14.1
97.06518	3.5
103.05472	4.0
104.78252	2.1
105.07027	31.0
107.04958	31.6
107.08593	21.1
109.06520	8.2
109.10139	7.9
111.08077	4.4
113.05991	4.3
115.05447	6.1
116.06280	2.6
117.07037	15.0
119.08583	88.1
121.06504	10.0
121.10152	18.1
123.08084	3.9
123.11732	3.7
129.07022	6.5
130.07784	3.3
131.04887	4.3
131.08569	29.3
133.06476	5.7
133.10150	16.9
135.08047	6.7
135.11696	7.4
137.06094	2.6
137.09572	10.5
141.06976	2.5
141.96005	2.0
142.07721	3.5
143.08560	7.5
145.06458	9.4
145.10117	40.3
146.06029	2.6
147.08066	32.0
147.11674	13.2
149.08604	2.4
149.09608	15.5
149.13306	5.6
155.06088	3.4
155.08548	3.0
156.09378	4.1
157.10112	9.5
158.07254	3.5
158.10927	4.0
159.08038	8.6
159.11668	12.3
161.09679	3.2
161.13200	3.5
163.07501	3.6
163.11166	9.7
163.14867	4.1
167.08606	3.5
169.10173	4.7
171.11644	4.0
173.05861	3.1
173.09636	15.7
173.13251	18.2
174.06937	2.8
175.07539	5.1
175.11227	15.8
176.04732	2.8
177.05428	4.0
177.09074	4.4
182.10890	5.2
186.76344	2.2
187.11185	5.3
187.14893	14.2
189.12741	7.2
191.10712	4.1
191.14339	29.4
197.13283	10.9
205.06697	2.5
205.08617	5.3
205.15924	2.9
211.49197	2.2
215.06929	3.9
215.10696	4.1
215.14368	20.4
215.18039	3.6
233.04108	2.3
233.06018	3.7
233.07933	19.5
233.11638	6.5
233.13657	3.9
233.15378	100.0
233.18777	12.8
233.23009	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	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05511	2.7
56.05039	19.8
56.96563	1.0
57.03434	3.7
58.06604	3.8
58.99583	3.5
60.04525	0.8
63.65200	0.6
65.27787	0.5
67.05501	0.9
69.04539	0.6
69.07069	2.4
69.55424	3.5
70.06594	4.0
71.05003	0.7
71.06916	1.8
71.31010	0.5
72.04503	1.5
72.08144	1.4
73.55580	0.6
74.02437	2.3
74.06081	100.0
75.04446	0.6
76.02228	9.4
79.05506	1.0
81.03436	0.9
81.07068	0.9
83.06104	2.0
83.08636	2.4
84.04507	19.0
84.08145	5.9
85.02914	2.0
86.09709	30.6
87.05610	2.4
88.04010	0.8
88.07612	0.6
91.05494	1.5
93.07086	1.2
96.04504	0.9
97.01220	0.7
97.02915	0.7
99.04427	1.0
100.03970	2.0
101.00900	2.4
101.07162	2.3
102.05541	1.2
104.10746	12.2
105.06980	0.8
110.07195	1.0
110.09700	0.9
113.06010	0.8
114.05542	1.4
117.07092	0.8
119.01923	5.2
121.02905	1.2
123.04449	1.0
124.11246	1.1
125.11577	1.7
128.06194	0.7
128.10736	1.9
129.06952	0.7
130.05011	4.7
130.06520	1.6
131.06856	0.7
132.10204	18.6
132.95895	0.7
133.06116	0.9
137.02956	1.1
141.05673	0.7
142.05016	2.6
142.12274	1.3
143.01936	1.3
144.10228	2.6
145.06523	0.7
147.04572	0.7
156.10233	3.6
158.06027	3.2
160.07503	1.1
161.02963	3.5
163.03937	1.4
167.03438	1.0
169.08652	0.8
169.13405	1.6
170.11792	6.7
171.12103	14.6
173.06029	1.1
174.11215	5.5
174.12314	0.5
177.02463	1.2
177.05492	1.1
187.05461	1.1
187.08690	5.9
187.14409	10.8
191.03352	0.9
191.07050	0.7
197.00948	0.6
198.11279	2.5
205.04939	1.3
215.13884	8.3
216.12299	3.6
233.04190	1.2
233.06029	2.1
233.08141	1.4
233.09935	1.3
233.12479	0.9
233.15010	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	233.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99586	2.3
60.71539	1.2
60.87398	1.2
70.06580	3.0
71.48573	1.9
72.08149	4.8
76.02232	11.4
78.25430	1.1
82.99879	1.4
84.04490	5.0
84.08156	10.7
86.09704	1.7
94.39723	1.2
101.00887	3.5
119.01910	4.0
130.04980	2.5
130.08629	1.5
131.01927	1.4
143.01898	1.7
144.10182	5.2
161.02934	2.4
177.02492	2.0
187.05476	1.5
233.06331	100.0
233.15028	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	233.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	5.0
56.96564	7.8
57.03440	60.0
58.99577	4.5
60.04512	7.9
61.02925	10.0
67.05501	19.7
69.03431	6.0
69.07070	30.7
70.06587	13.8
71.01347	2.5
71.04993	49.3
71.06918	2.8
71.48975	3.1
72.08167	3.5
74.06084	11.3
75.04484	48.0
76.02213	11.9
79.05489	3.9
81.07050	6.2
83.06107	3.2
84.04510	9.4
84.08140	10.8
85.02896	3.5
86.09711	100.0
91.05482	8.1
93.07084	2.7
95.04964	27.3
95.08601	2.8
97.02871	2.7
98.97594	5.2
99.04448	4.7
102.05546	2.8
103.05470	4.4
105.07069	3.5
107.04968	3.3
107.08559	3.8
110.07181	4.9
113.06014	37.4
117.05502	40.8
119.01973	3.9
119.04977	2.7
120.06583	13.9
120.08066	3.2
121.02872	3.2
121.06519	2.8
125.11558	4.4
129.06992	3.0
130.03271	2.7
130.06517	3.3
131.00203	3.7
131.04898	4.3
131.07043	10.6
131.08562	3.6
136.06224	14.8
141.05472	54.3
142.33640	2.3
144.10231	5.3
145.06493	5.5
147.04448	2.7
149.01265	4.8
149.06035	2.7
150.96931	2.7
154.02113	2.4
157.06503	2.4
159.04390	2.6
159.06604	3.0
160.07639	3.0
161.02823	3.2
161.05943	2.4
163.02583	6.0
163.03920	4.5
167.03419	6.1
169.06201	3.2
170.11725	5.4
171.12120	32.6
172.03088	5.0
173.01250	2.8
173.05981	3.7
177.05397	5.5
181.13329	3.9
187.07721	5.2
187.09679	43.5
187.14859	2.5
191.03348	7.6
209.07704	2.9
211.05496	8.0
215.07303	2.9
215.09148	74.8
233.04453	8.2
233.08031	4.8
233.10123	8.5
233.12331	2.2
233.13225	2.2
233.15408	5.9
234.13531	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	233.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99850	3.1
61.25214	0.8
68.98315	0.9
70.10726	3.0
70.99866	9.4
73.64494	0.7
75.75621	0.8
77.00909	5.3
82.99837	12.7
86.99321	2.2
88.94083	0.8
89.00912	11.1
101.00883	90.2
102.00941	1.1
105.00385	1.2
107.01981	0.9
113.00839	3.4
119.01925	100.0
119.25315	0.8
120.01995	1.8
129.42770	0.8
131.01910	10.4
135.01364	2.4
137.02963	9.1
137.99234	1.0
142.03461	1.1
143.01906	41.7
144.10165	1.2
147.01405	3.9
149.02922	2.8
151.99005	2.9
153.85127	0.9
159.01393	15.6
161.02963	77.0
161.98515	1.2
162.03081	1.6
163.00902	2.3
165.02536	0.8
170.44205	0.8
173.98494	1.5
174.99263	1.0
177.00955	1.8
177.02454	30.8
177.03993	2.0
179.04001	1.0
182.99020	2.7
184.04483	1.2
187.00839	1.8
187.07227	1.1
189.02419	1.6
191.00421	3.4
196.98689	1.2
209.01421	1.4
218.98203	3.2
219.48549	1.0
227.98772	2.2
233.01436	4.0
251.02487	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	232.1333
Annotation	Leiokinine A
Peak:m/z	Relative Intensity
51.17603	0.4
53.03953	0.5
55.05503	0.8
67.05491	1.3
69.07056	0.7
69.44997	2.8
70.06580	1.7
72.08137	0.6
72.70646	0.4
79.05481	0.7
81.07048	1.0
88.07647	0.8
90.37154	0.4
91.05479	3.1
93.07044	1.2
96.04435	0.5
96.23764	0.4
97.06477	0.4
105.07044	5.9
106.08681	0.7
106.44370	0.4
107.08606	0.9
108.08104	1.1
109.06532	0.7
110.06008	0.8
112.07664	0.6
115.05529	0.5
117.07006	3.0
119.04932	0.4
119.08600	3.2
120.08045	0.7
121.06544	1.0
121.10093	0.5
128.06224	1.8
129.07018	2.0
130.07777	1.1
131.05005	0.6
131.08562	6.0
132.08052	0.5
133.09180	0.6
133.10098	3.8
134.09621	0.7
135.08112	0.6
135.11728	0.5
136.07552	3.0
141.06929	1.0
143.08571	1.5
144.08194	0.7
144.09315	2.4
145.06485	3.6
145.10124	3.0
146.06171	0.5
146.07246	2.2
146.09621	1.0
147.06897	0.5
147.10492	0.7
147.11664	0.8
148.07657	0.6
148.11229	0.6
156.09328	0.7
157.08900	0.6
158.07268	1.6
158.09625	0.6
159.08066	5.6
159.11691	7.7
160.07579	4.2
160.08855	4.7
160.11105	0.6
161.08345	4.1
161.09627	9.7
161.11929	0.7
161.13254	1.5
162.09113	2.3
162.12791	1.9
163.11189	1.6
169.10127	1.2
170.09590	0.6
171.10425	1.4
172.08794	2.6
172.11116	0.7
173.09625	3.2
174.09143	4.5
174.10446	0.6
174.12785	1.1
175.09906	5.0
176.10684	1.4
176.14348	1.9
186.09125	0.8
186.12766	1.3
187.07655	0.6
187.11179	8.4
188.10733	1.7
189.11372	3.1
189.12843	1.6
190.06047	0.5
190.12267	9.4
202.08643	1.0
203.09435	1.9
204.10245	1.0
204.13863	7.2
214.12289	1.3
215.10635	2.9
217.10983	1.1
226.18306	0.4
232.13335	100.0
233.08195	0.5
233.13623	1.8
250.88922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03942	1.1
53.56393	0.3
55.01880	0.5
55.05517	11.4
56.05032	0.5
56.96573	0.4
57.05818	1.0
58.59239	0.3
63.58452	0.3
65.49286	0.3
66.08910	0.3
68.99791	0.6
69.03437	5.3
69.07072	0.5
70.06597	1.8
70.95880	0.3
71.05001	1.1
71.48670	0.3
71.49045	0.5
72.08160	100.0
74.06096	0.5
79.05502	0.3
81.03422	3.2
81.07060	0.3
82.28882	0.3
84.04510	0.8
84.08156	1.3
85.02907	3.1
86.09713	6.0
87.00848	0.9
88.56033	0.3
91.05497	0.6
94.74641	0.3
97.02883	1.6
97.06550	0.4
97.09020	0.3
98.98474	0.5
99.04467	1.2
99.05597	0.4
102.85669	0.3
107.04974	0.6
109.02896	0.8
115.05412	0.6
116.98555	0.3
120.08073	0.3
127.00542	0.3
127.03905	1.6
129.06981	0.3
129.10246	0.7
132.10211	4.0
132.95828	0.7
140.07085	0.5
143.00179	0.8
143.04933	0.4
147.04442	1.1
150.96898	0.7
157.06450	0.4
157.07669	0.5
158.08368	0.3
158.09691	0.3
161.01228	0.3
170.06059	0.5
170.11800	2.1
171.04393	0.4
175.07617	0.6
185.05826	0.5
185.07184	3.2
185.16493	0.5
187.08702	0.3
189.05522	0.7
203.07133	0.8
231.02934	0.9
231.08026	4.3
231.11827	0.6
231.14027	0.4
231.17039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24213	0.5
55.05500	0.7
58.15810	0.6
68.08285	0.6
69.03423	1.9
69.52479	1.7
69.52905	2.2
69.94936	0.5
70.06554	0.6
72.08140	0.7
81.03401	0.7
81.07086	0.7
83.08603	0.8
84.04510	3.5
85.02903	1.0
85.10165	0.7
91.05457	0.6
99.25728	0.5
102.12795	2.7
108.18273	0.5
111.04363	0.7
111.08051	0.8
115.05468	0.7
117.06989	2.4
128.06204	1.6
129.07013	22.6
130.04994	2.9
130.06511	1.2
143.07283	2.1
143.08476	0.8
144.08083	36.5
146.05949	0.7
154.06497	1.5
155.07317	1.9
156.08087	56.0
157.08604	0.6
157.22769	0.6
158.09645	6.7
160.07578	2.0
160.17096	0.6
167.07300	2.0
168.08089	34.2
169.08865	2.7
170.09650	14.2
171.09175	2.4
172.07617	1.0
184.07576	55.0
185.08014	0.5
185.16507	1.1
187.12279	2.2
196.07579	11.2
202.08627	100.0
203.08928	1.4
213.10239	3.2
214.08629	39.9
214.14375	2.2
231.06487	1.3
231.11325	11.9
231.17049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.01871	3.9
55.05514	21.5
57.03447	4.1
57.07079	6.3
59.04987	3.3
61.08833	2.7
67.05508	43.3
69.07074	23.0
70.06596	31.8
71.05006	5.1
71.49597	3.9
79.05487	9.5
81.03420	3.2
81.07068	41.5
83.04990	6.9
83.08623	16.7
84.08140	3.9
85.06531	6.9
86.09697	3.5
88.94893	2.6
91.05467	9.6
93.07053	23.0
95.04987	5.0
95.08617	100.0
97.06536	3.4
98.97569	2.9
101.06030	8.5
105.07030	13.7
107.08597	23.3
109.10170	63.2
111.08113	4.6
115.07545	5.0
119.08582	15.2
121.10144	12.5
123.08086	4.2
123.11697	14.5
125.09647	4.1
131.08543	3.2
133.10144	14.8
135.11682	19.4
137.09642	11.8
139.11235	6.3
143.08539	3.6
145.10088	5.9
145.13371	3.6
147.11720	5.0
149.13297	12.1
151.14729	3.5
155.08644	4.0
159.08005	3.0
159.11702	4.0
163.14870	19.5
165.07190	3.5
165.16380	3.7
169.07719	3.3
173.13286	3.7
175.14848	24.3
181.15837	17.9
183.11661	3.9
193.15860	24.2
201.44308	3.0
211.11325	4.4
211.15086	4.4
211.16943	67.2
229.06384	5.5
229.08710	10.3
229.12280	7.1
229.15791	11.6
229.17802	5.0
229.23691	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	231.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62189	3.2
60.49067	2.5
69.38389	2.8
70.06583	10.4
70.71825	6.6
70.72191	4.1
77.06343	2.9
81.23053	2.7
86.05307	2.9
88.03960	4.3
116.07083	8.2
132.95837	4.1
147.11302	2.8
185.04166	9.7
195.02634	23.2
196.06084	3.9
213.03708	100.0
231.04770	83.0
231.16100	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	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.67700	6.1
54.18032	6.7
55.05511	19.9
57.03434	19.5
67.05507	100.0
68.05047	6.3
68.26224	6.3
69.07072	9.1
70.06585	14.7
70.85413	13.6
79.05508	14.4
80.36099	6.0
81.07053	50.6
83.04974	9.7
83.08608	9.6
85.06551	9.0
88.07630	12.3
91.05482	23.1
93.07017	9.5
95.08613	24.1
105.07031	24.1
109.10160	70.2
119.08571	31.3
119.13947	6.3
121.10132	8.7
123.11688	18.4
129.07028	8.3
131.08551	13.7
133.10112	12.2
147.08055	8.3
147.11713	69.6
157.10141	19.3
159.11700	8.8
165.12755	21.7
173.11725	16.0
175.11169	22.7
189.12828	8.8
193.12311	8.3
209.55821	7.6
229.04918	8.5
229.12323	11.9
229.14230	55.5
229.19711	8.2
229.23573	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	229.1547
Annotation	Pro Ile
Peak:m/z	Relative Intensity
51.18534	0.2
58.06599	5.9
59.07379	1.0
60.08164	7.9
65.17313	0.2
67.39887	0.2
68.05028	1.3
70.06592	38.4
70.98513	0.2
71.17662	0.4
71.72179	0.2
72.08182	0.5
95.06092	0.3
96.08121	1.5
98.06066	0.6
114.05526	3.9
114.09171	1.9
116.07098	0.9
124.07590	3.5
126.09181	0.9
132.10231	0.2
142.08633	32.7
142.47285	0.2
170.08138	1.5
229.15469	100.0
230.15849	1.1
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
52.86316	0.3
55.01869	0.7
58.06603	5.8
59.07381	1.4
60.07891	0.5
60.08168	6.9
64.50632	0.3
68.05019	1.2
70.06595	36.3
71.13291	0.3
71.13623	0.5
72.08156	0.9
72.58125	0.4
84.04531	0.3
84.08157	0.4
86.05061	0.4
90.47907	0.3
91.36184	0.3
96.08147	1.9
98.06034	0.7
114.05537	4.4
114.09184	2.1
116.07085	1.2
124.07615	3.0
126.09128	0.7
126.12738	0.3
142.08640	32.7
170.08061	1.5
179.87260	0.4
229.15482	100.0
230.15826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.23787	2.3
55.01856	7.7
55.05512	13.1
57.03429	4.6
57.07085	4.7
59.04992	2.6
59.68483	2.5
67.05510	37.1
69.03412	6.8
69.07067	24.0
70.04787	11.3
70.06561	3.2
71.04973	5.9
75.72480	2.4
79.05483	21.2
81.07059	100.0
82.07426	2.8
83.04957	7.3
83.08613	12.0
85.06528	9.1
91.05482	33.2
91.87803	3.0
93.07049	22.3
95.04936	3.7
95.08624	15.0
95.69554	2.5
97.06541	7.1
105.07037	42.0
107.08582	14.7
109.02866	3.0
109.06511	5.9
109.10147	17.3
117.22202	2.2
119.07726	3.5
119.08581	45.9
121.10145	32.3
123.08053	6.4
123.11706	41.5
127.07525	3.2
129.06993	4.7
131.08553	7.3
133.10153	8.1
137.13255	4.0
142.07776	3.2
143.08611	5.7
144.09288	3.6
145.10112	4.8
147.11690	88.5
148.12029	2.7
155.08531	4.0
157.10149	7.1
158.10921	4.1
159.08089	3.1
159.11700	4.0
165.12755	34.4
169.10065	4.3
171.08084	3.2
173.09599	8.3
173.13237	13.7
173.52031	2.6
175.11188	3.6
183.11702	2.9
186.10406	8.8
187.11200	18.4
193.12257	3.9
201.12744	16.5
211.11221	3.9
229.08682	2.9
229.12231	32.1
229.14333	10.5
231.41045	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	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.26992	3.4
55.01862	11.3
55.05509	19.8
57.03441	22.1
57.07077	6.8
59.05000	4.0
65.03946	4.1
67.05509	100.0
69.03415	6.5
69.07060	19.4
70.06595	20.0
71.04987	5.2
71.08149	8.6
71.08501	4.0
73.95200	3.2
79.05482	17.3
81.06598	5.3
81.07060	86.0
83.04964	4.3
83.08604	11.3
85.02882	4.4
85.06533	7.5
86.06067	5.3
91.05489	44.4
93.07035	21.7
93.65496	3.5
94.71514	3.8
95.04996	5.4
95.08611	19.5
97.06522	17.3
105.07029	48.9
107.08611	21.0
109.06535	12.4
109.10165	80.4
111.08073	4.4
113.06005	4.0
115.05449	4.3
119.08587	47.4
121.06556	4.9
121.10166	21.7
123.08032	5.7
123.11697	30.7
129.07028	8.2
131.08537	18.1
133.10124	16.9
142.07698	4.1
143.08504	5.5
145.06534	3.9
145.10135	15.4
147.11700	97.0
155.08548	6.2
156.09467	4.3
157.10107	23.7
159.08078	6.8
159.11694	7.7
165.12776	45.1
169.10060	10.0
171.11671	5.7
173.09656	5.6
173.11894	18.1
173.13152	7.4
175.11221	28.6
183.11795	8.2
189.12659	5.7
193.12317	7.9
201.09087	4.9
201.12709	7.3
201.16510	3.9
205.98830	7.9
211.14914	8.1
229.04886	8.4
229.08577	12.2
229.12263	18.9
229.14162	95.5
229.19547	12.7
229.23547	12.9
230.15399	6.0
230.19014	8.7
246.74742	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03952	3.1
53.42703	1.3
55.01868	4.6
55.05516	13.5
57.03428	4.1
57.07071	6.8
58.06606	1.7
59.04994	6.7
65.03940	3.4
66.51155	1.4
67.05508	9.4
69.03436	7.2
69.07069	16.9
69.83649	6.9
70.06588	4.9
71.04996	27.9
71.08613	1.7
73.02903	8.4
79.05499	9.1
81.07061	21.2
83.04988	4.9
83.08615	9.8
84.08137	2.5
85.02914	2.6
85.06540	9.5
86.09701	12.7
87.93857	1.6
91.05477	11.1
93.07051	21.8
95.04969	100.0
95.08609	21.5
96.08105	1.6
97.06532	22.9
97.10162	4.8
98.98480	9.2
99.04453	14.1
99.08097	36.6
100.11257	21.5
103.05481	1.8
105.07040	14.6
107.04960	3.2
107.08597	26.9
108.05740	1.5
109.06515	19.5
109.10162	13.1
111.08073	9.8
113.09648	2.6
115.07591	9.1
119.08565	8.4
120.08115	1.5
121.06522	5.4
121.10153	23.7
123.04446	3.8
123.08109	3.5
123.11728	9.3
124.05277	1.6
125.06051	1.7
125.09628	12.5
125.13274	1.4
127.07552	18.9
131.08586	6.5
133.10136	34.4
135.08038	6.9
135.11681	7.3
137.05965	2.1
137.09621	5.0
139.07506	2.4
139.11188	16.5
140.04672	9.4
143.10666	4.3
145.10175	2.0
147.11707	8.0
149.05951	5.5
149.09656	3.7
149.13257	12.1
151.11183	5.5
153.09120	28.1
153.12822	2.0
154.04993	1.8
155.07031	8.9
158.10902	2.9
163.14810	6.3
165.12817	2.7
167.07022	27.3
167.14336	3.0
171.10207	12.7
173.13261	17.5
177.05493	5.5
179.14307	5.3
181.05017	13.8
186.92047	1.6
187.87103	1.5
191.10680	2.2
191.14301	10.5
197.15529	1.8
209.08115	5.0
209.15152	13.3
227.08220	7.0
227.10254	2.0
227.16328	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05510	8.9
57.03435	19.5
57.07074	1.4
59.05006	7.0
61.69188	0.6
65.03939	2.0
67.05503	100.0
69.07075	2.5
69.16517	3.5
69.16941	3.0
70.06604	0.8
71.04990	3.4
71.32823	0.6
79.05508	2.1
81.07055	14.4
83.08621	8.4
83.09071	1.0
85.06528	3.2
91.05472	6.5
93.07050	4.4
94.96295	0.6
95.08608	6.0
98.21557	1.1
105.07028	1.3
107.08607	3.4
109.10155	87.0
110.10512	0.8
111.08090	4.5
112.74837	0.6
119.08579	6.1
131.08591	1.7
137.09622	3.4
145.10162	1.8
155.10643	6.8
159.11674	2.5
173.11754	21.9
173.13225	2.0
191.47241	0.6
229.12111	1.4
229.14316	22.5
229.19493	6.5
229.23482	2.5
230.13828	1.0
249.87842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
67.05487	1.9
69.07056	3.4
70.62987	2.3
71.04990	0.7
79.05489	3.8
81.07047	2.9
91.05456	1.1
93.07038	3.4
95.08574	1.7
97.06532	100.0
98.06807	1.0
105.07042	1.5
107.08596	5.5
109.06524	7.4
109.10137	3.5
111.07381	0.8
111.08044	4.2
119.08588	1.3
121.10119	2.7
123.11695	0.8
131.08488	1.4
133.10133	4.0
135.08005	1.1
139.11174	1.1
149.09631	1.3
149.13197	3.2
151.11179	4.1
153.43361	0.8
163.14737	1.5
167.10672	1.1
169.12230	2.5
173.13290	1.9
191.14302	2.3
198.09106	4.7
201.14876	0.8
209.15308	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.00299	2.9
53.03935	3.0
55.01868	5.8
55.05511	14.8
57.03427	7.1
57.07078	4.8
59.05002	4.3
59.67798	2.0
64.09161	2.0
65.03951	3.6
67.05505	14.2
69.03433	11.1
69.07071	22.6
70.06602	8.3
71.04987	22.0
71.15625	2.3
71.15948	2.7
72.08157	4.5
73.02921	15.1
73.06554	2.9
78.96207	1.5
79.05495	10.9
80.05029	4.3
81.07053	22.6
83.05006	8.5
83.08632	9.3
84.08146	4.8
85.02866	2.1
85.06557	12.1
86.06025	1.7
86.09706	31.0
91.05461	12.1
93.07043	25.4
95.04972	100.0
95.08610	17.4
96.04482	2.0
97.02930	3.0
97.06530	29.0
97.10178	6.0
99.00822	9.6
99.04463	13.8
99.08094	32.4
100.11216	8.5
101.06015	2.4
101.90284	1.7
105.07040	10.0
107.04976	3.3
107.08595	24.0
109.02839	2.1
109.06517	18.6
109.10160	17.8
110.03562	1.8
110.07196	2.7
111.04442	5.8
111.08071	8.6
113.06022	4.5
113.09648	3.3
115.07563	10.1
116.07060	1.9
119.08610	9.6
120.08069	2.1
121.06532	5.9
121.10149	26.0
123.04459	3.5
123.08072	5.8
123.11705	5.6
124.07614	1.7
125.06004	3.8
125.09645	9.8
127.07560	12.7
128.06168	1.7
131.08554	7.7
133.10133	33.4
135.04410	4.3
135.08075	6.4
135.11687	8.8
137.09596	4.5
139.11191	12.7
140.04692	21.6
141.45116	1.8
143.00104	3.4
143.08609	1.7
143.10678	7.4
144.86513	1.7
145.10159	3.0
147.11673	6.9
149.06075	2.6
149.09631	3.9
149.13243	11.3
151.11182	7.9
153.07063	2.1
153.09102	28.4
154.04996	5.5
155.07043	25.9
163.03893	9.1
163.07570	2.2
163.14828	7.2
165.12724	1.9
166.08664	2.8
167.07010	11.5
167.14301	2.0
171.06595	2.3
171.10193	20.9
173.13286	14.1
181.04976	40.6
181.06473	5.1
181.08551	4.6
191.14317	11.6
199.07513	3.6
209.08087	11.5
209.15334	20.8
210.07713	2.9
210.13071	2.0
227.07027	4.8
227.09229	6.6
227.11842	6.1
227.14206	2.8
227.16347	54.3
228.08659	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03939	3.0
55.01865	3.4
55.05516	39.2
57.03432	3.3
57.07064	7.9
59.04991	5.3
65.03941	2.9
67.05510	35.6
69.03438	32.5
69.07072	44.1
69.19402	23.1
71.04998	36.8
73.86658	2.1
79.05502	41.5
81.03416	9.8
81.07060	58.6
83.04977	21.5
83.08623	22.1
85.06538	6.9
86.09698	4.6
91.05496	26.6
93.07051	50.9
93.07629	3.2
95.04989	19.9
95.08616	51.7
97.06546	22.0
97.10171	19.3
99.04471	22.7
99.08089	8.8
100.11250	23.0
105.07047	27.8
107.04954	7.1
107.08604	100.0
109.06529	13.3
109.10165	34.1
111.04469	4.0
111.08089	19.5
115.07545	7.4
117.07011	6.9
119.08578	14.7
121.06515	13.1
121.10138	36.6
123.08090	14.1
123.11719	16.1
125.05973	4.6
125.09642	29.5
129.09120	4.6
131.08578	13.4
133.10164	24.2
135.08070	24.9
135.11702	13.7
137.09637	11.8
137.13252	2.4
139.07593	3.4
139.11176	5.9
141.11475	5.7
143.08690	2.8
143.10661	6.4
145.10112	6.9
147.11707	15.6
149.09627	16.8
149.13263	17.7
151.11185	29.6
153.09109	8.9
158.10889	3.2
163.14851	19.7
165.12761	13.0
173.13289	29.5
182.15471	5.1
183.13831	3.2
191.10616	2.7
191.14330	34.1
198.09146	7.0
199.18004	2.9
209.15279	21.5
213.17799	5.4
226.94650	2.6
227.07082	4.4
227.16292	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	227.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51516	0.3
55.01859	0.9
55.05509	2.0
56.05039	3.0
57.07074	0.7
59.63518	0.3
61.17168	0.3
65.03941	0.4
67.05510	1.6
68.05038	0.3
69.03429	0.7
69.07068	2.0
69.67140	2.1
70.06595	3.5
71.05001	0.5
72.93768	0.6
73.02921	0.5
79.05476	0.9
80.05018	0.8
81.03418	0.4
81.07059	1.0
82.06570	2.2
83.08626	1.1
84.04510	2.0
84.08144	100.0
85.02901	0.9
85.08468	0.5
86.06100	0.4
86.09695	0.7
88.03944	0.4
90.94841	0.4
91.05499	1.0
91.90327	0.3
93.07033	0.8
93.94859	0.3
94.02939	2.7
95.04965	2.4
95.08607	0.4
97.02919	0.3
97.06524	1.1
97.10184	0.4
98.06058	3.4
98.45841	0.3
98.97610	0.5
99.00783	0.4
99.04472	0.5
100.11258	1.0
103.05492	0.4
105.07039	0.6
107.04977	0.8
107.08598	0.8
108.08099	0.6
109.06522	0.8
109.10148	0.3
110.06051	1.4
110.07113	0.4
111.04501	0.4
112.03960	0.6
112.07624	1.0
113.96379	0.5
114.05495	0.6
116.07104	1.4
119.04968	0.4
119.08575	0.4
121.06566	1.5
122.06046	0.6
122.07157	0.9
123.04450	1.1
124.07594	0.7
125.06003	0.6
130.08704	0.3
131.04994	0.4
133.10162	0.6
134.06004	0.4
135.04454	0.7
135.08084	0.5
136.07581	3.2
136.12222	0.4
137.06015	0.8
138.05479	0.4
138.09180	0.9
139.07457	0.3
139.11322	0.3
140.04729	0.6
142.04977	0.3
143.00122	0.5
146.09642	1.9
149.06010	1.2
149.09636	0.4
151.03932	0.6
152.07077	0.9
153.05482	0.6
153.06787	0.4
153.09123	0.4
154.05005	1.1
155.07072	0.8
163.03960	1.4
163.12360	0.8
164.07079	7.5
164.10760	0.7
167.07036	7.1
177.05463	1.9
181.04967	1.3
181.06459	0.6
181.10007	0.7
181.13361	24.4
182.08214	0.9
199.07538	0.7
209.08334	1.1
210.07613	3.3
210.11491	0.4
210.13246	0.7
227.07089	0.7
227.10345	1.4
227.13908	9.0
227.16101	0.6
227.23770	0.3
228.08661	0.9
229.00020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Chloriolide
Peak:m/z	Relative Intensity
52.14525	2.8
53.03944	6.7
54.05096	3.0
55.01863	8.9
55.05512	51.8
57.03422	5.4
57.07084	3.5
58.99573	3.3
60.70129	3.4
67.05500	39.3
69.03423	9.2
69.07084	23.6
69.86916	3.4
70.06580	3.6
71.04990	6.2
71.23147	4.4
73.02930	8.5
79.05493	52.8
80.84745	3.2
81.07059	36.3
83.04982	7.9
83.08622	29.8
84.08151	4.2
85.06540	4.1
86.09704	6.6
91.05500	21.8
93.07056	44.8
95.04959	13.9
95.08612	50.3
97.02871	6.5
97.06534	25.3
97.10162	24.3
97.50497	3.4
99.04436	9.1
100.11263	63.1
103.05466	8.3
105.03314	3.3
105.07024	12.7
107.04948	17.4
107.08605	42.4
109.06509	5.9
109.10131	11.1
111.08073	5.0
113.26107	3.2
113.96420	3.9
117.07008	14.6
119.08590	15.2
121.06530	23.6
121.10149	18.9
123.04420	9.3
125.05997	5.5
125.09613	26.1
129.06902	3.5
131.04910	7.5
131.08525	5.5
133.10124	10.7
134.03636	3.4
135.08076	6.7
135.11694	55.1
137.06018	8.0
140.04665	10.2
143.08569	8.4
145.10121	38.2
149.05963	16.7
152.04678	4.3
153.09100	5.0
154.06506	4.8
155.07019	10.2
157.10149	8.1
159.04466	6.3
163.11183	70.0
167.07057	98.1
169.10149	4.6
171.08083	4.4
171.11731	9.8
177.05531	26.5
181.05025	21.8
181.10077	6.1
181.12181	15.1
185.13272	5.5
189.11235	12.1
199.14706	3.6
209.08157	12.5
209.16521	7.4
227.07018	9.0
227.10889	6.1
227.12753	100.0
227.17813	24.6
228.10327	4.2
230.60118	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	227.1277
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03931	1.2
55.01874	6.4
55.05514	53.3
57.03439	6.0
57.07077	5.1
67.05506	28.8
69.03426	4.7
69.07063	11.0
69.09818	0.9
69.35794	7.9
71.08611	4.1
79.05493	24.9
81.06612	1.3
81.07060	20.8
83.04961	3.8
83.08160	1.6
83.08620	20.1
85.06549	1.3
85.10168	2.3
91.05475	3.9
93.07063	8.7
95.08623	5.1
97.10170	57.7
100.11259	5.2
105.07021	1.7
107.04961	1.1
107.07877	1.6
107.08595	21.5
109.10145	9.9
111.08076	2.5
117.07003	4.1
119.08577	1.3
125.09634	51.6
128.99762	0.8
135.08054	8.1
143.08559	1.6
143.10655	2.4
153.09065	3.0
157.10078	0.9
171.10158	7.2
171.11684	2.4
185.13219	1.9
189.11226	34.3
209.16583	1.1
227.12775	100.0
227.20076	7.0
228.13042	1.0
249.16507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.15014	0.5
53.00299	1.8
53.03939	1.5
55.01868	6.6
55.05514	4.6
56.05032	0.6
57.03437	0.7
59.04981	1.1
61.30999	0.5
65.03941	6.1
67.05510	4.5
68.24663	0.6
69.03433	5.0
69.07062	2.4
70.06577	2.1
71.04982	2.0
71.16088	0.7
73.02917	39.2
79.05501	3.1
80.05007	0.8
81.07064	3.3
82.04185	2.7
83.04967	2.0
83.08627	1.2
84.04504	0.8
84.08148	1.4
85.02905	5.2
85.06548	0.8
86.09708	6.6
91.05485	4.3
93.03397	2.0
93.07036	3.9
95.04970	7.2
95.08601	3.1
97.02879	1.1
97.06554	4.5
97.10187	0.9
99.00816	7.1
99.04473	0.8
99.08101	1.1
100.11236	2.9
101.05994	1.4
103.05460	1.0
104.54264	0.6
105.07022	1.8
107.04939	1.4
107.08598	3.9
108.02077	1.6
109.02880	0.7
109.06522	1.7
109.10173	5.1
110.03671	3.6
110.07099	0.7
111.04420	1.9
111.08083	3.0
115.05457	0.8
119.08583	3.0
121.06524	2.9
121.10153	1.9
123.04427	8.8
123.08059	1.6
123.11708	0.7
124.07535	1.7
125.02340	3.4
125.05970	2.6
125.09599	1.7
128.06172	0.6
129.05469	0.6
131.08540	1.2
133.10103	1.6
135.04437	0.6
135.08049	0.7
135.11655	0.7
137.05910	0.8
137.09624	1.1
138.03137	1.9
140.04683	52.9
141.05026	1.1
142.02608	2.7
145.02902	0.6
149.06038	1.0
149.09627	2.2
149.13205	0.9
151.03882	1.3
151.11111	0.8
153.05450	3.1
153.09169	0.8
154.04976	1.6
155.07033	62.4
156.07465	0.7
157.10060	0.6
158.11003	0.6
163.03883	2.1
163.07527	1.5
163.08806	0.7
166.89801	0.6
167.07063	7.3
171.06525	4.0
173.08090	2.2
173.13248	1.4
177.05408	1.0
179.06990	2.9
179.14336	1.0
181.04958	100.0
182.05342	1.0
191.14346	1.2
199.07520	1.2
209.06105	1.3
209.08086	21.0
209.15356	1.5
212.78621	0.6
227.07066	1.2
227.09053	15.1
227.14006	0.8
227.16104	0.9
227.17946	0.7
228.08672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1089
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
51.08450	0.1
51.70524	0.1
55.61775	0.1
65.03938	1.4
67.44190	0.1
69.85550	0.3
69.85940	0.3
73.84103	0.1
79.05476	0.1
91.05480	100.0
92.05812	1.1
99.90186	0.1
107.04944	0.1
107.08604	0.1
124.08367	0.1
124.87250	0.1
128.00568	0.1
140.04675	0.1
148.06178	1.6
166.05011	0.2
176.94814	0.1
178.71190	0.1
193.65691	0.1
199.32982	0.1
209.08348	0.2
226.10873	56.3
227.11227	0.9
234.96913	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.05512	7.5
57.07051	2.5
67.05489	4.4
69.03433	7.8
69.07046	5.2
70.85426	2.7
71.01364	1.2
71.04992	40.6
79.05503	7.4
81.03411	1.7
81.07052	11.8
83.04977	6.4
83.08619	8.5
85.02889	3.7
91.05457	8.1
93.07015	6.3
95.04956	6.5
95.08604	11.9
97.06525	6.8
99.04453	100.0
99.08077	2.6
105.07034	11.7
107.08589	36.8
109.06517	24.1
109.10140	4.8
111.08070	2.6
113.09618	3.3
119.08596	8.3
121.06516	2.3
121.10140	18.8
123.08054	22.3
123.11703	13.4
125.06006	2.7
125.09627	8.3
127.07532	1.7
131.08553	2.8
133.10114	6.5
135.08058	2.0
135.11639	3.6
137.09607	9.1
137.13234	2.1
139.11197	5.1
141.12717	2.0
144.08087	30.5
145.10123	2.1
147.04451	1.5
147.11699	11.4
149.09618	15.9
151.07530	1.9
159.37306	1.2
161.13261	3.4
163.11188	5.5
165.09116	3.8
165.12744	13.7
167.10666	26.2
169.08588	1.7
170.09630	1.4
171.11674	3.5
174.10425	1.9
175.03873	1.5
179.10861	1.5
179.14319	4.0
181.12219	2.7
183.13803	36.4
188.97891	1.3
189.12718	7.2
197.10695	3.6
207.06558	1.8
207.13759	10.5
215.17014	1.2
225.13994	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.22249	1.6
55.01873	3.4
55.05507	12.0
57.03429	4.5
57.07074	4.7
59.04995	4.5
65.03945	2.7
67.05501	10.7
68.78463	1.7
69.03418	3.7
69.07079	10.9
69.25257	6.7
69.25685	8.7
70.06585	2.5
71.01338	2.0
71.04993	39.9
74.88894	1.7
79.05492	8.7
81.03428	3.3
81.07057	18.5
83.04980	11.8
83.08627	8.0
85.02900	16.4
85.06546	4.7
86.09728	2.4
87.13649	1.6
88.00217	1.7
91.05483	94.5
93.07055	13.2
95.04967	11.0
95.08615	21.8
97.06532	11.9
97.10201	2.6
98.21490	2.5
98.97588	2.8
99.04457	100.0
99.08085	3.3
104.37620	1.6
105.03413	8.8
105.07035	14.2
107.04933	3.6
107.08593	40.5
109.02833	1.6
109.06522	34.4
109.10149	9.1
111.04440	3.2
111.08032	3.9
113.09641	5.7
118.04272	2.1
119.04944	22.7
119.08586	12.0
121.06493	2.5
121.10140	19.2
123.04433	3.1
123.08070	24.4
123.11709	25.8
125.06019	4.0
125.09630	10.2
127.07554	2.1
131.08582	2.9
132.02078	1.9
133.10133	5.5
135.08009	3.0
135.11739	3.7
137.05956	4.1
137.09631	6.0
137.13263	4.4
139.11153	3.1
141.06982	3.5
141.12723	2.8
144.08083	2.7
145.10133	2.3
147.04420	16.0
147.08121	2.7
147.11664	11.0
149.02377	2.8
149.09610	18.1
151.03932	2.9
151.07559	5.7
153.06987	2.5
155.10762	1.9
157.03952	2.0
161.09685	2.3
161.13274	6.9
163.03925	2.2
163.11200	5.2
164.04671	2.5
165.09117	7.0
165.12744	15.4
167.07132	4.0
167.10707	23.1
169.10068	2.8
171.11728	2.5
175.03931	27.7
179.06979	3.2
179.14301	5.7
180.04224	3.8
181.06467	4.2
181.12392	1.8
183.11852	2.8
183.13812	35.1
183.15370	2.7
189.12726	9.1
192.04170	10.7
193.04861	3.1
193.12245	3.7
207.06522	32.1
207.08397	2.0
207.13806	18.8
210.06725	2.0
222.67514	1.7
225.07320	3.5
225.09203	5.8
225.10754	3.0
225.12755	3.4
225.14804	23.3
225.16583	2.3
226.10892	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.39270	1.3
53.03933	1.5
55.01863	2.4
55.05507	11.0
56.96564	3.6
57.03436	2.7
57.07058	2.8
59.04993	1.4
65.03942	3.1
67.05501	8.3
69.03431	7.1
69.07075	7.1
70.06593	1.9
71.04996	34.4
71.50516	2.6
79.05490	9.8
81.03416	3.5
81.07056	16.9
83.04971	6.8
83.08623	9.2
84.08169	1.9
85.02908	7.3
85.06541	3.7
91.05483	100.0
93.07052	10.8
95.04968	7.7
95.08608	15.2
97.02903	2.6
97.06538	6.0
98.97591	20.5
99.04459	87.6
99.08068	2.3
105.03379	6.4
105.07034	13.8
107.04970	4.1
107.08598	34.9
109.06519	23.9
109.10168	12.1
110.06064	1.3
111.04428	2.4
111.08080	4.5
113.09630	5.2
116.98608	7.7
118.04147	1.8
119.04951	14.5
119.08585	15.1
121.06519	3.3
121.10149	25.4
123.04428	3.5
123.08074	22.1
123.11693	16.6
125.06025	4.3
125.09628	9.3
127.03954	2.2
131.08562	4.6
133.02812	1.5
133.10133	7.4
133.10968	1.4
134.99635	2.4
135.08058	5.2
135.11664	3.4
137.05988	2.8
137.09627	11.4
137.13220	1.7
139.07585	1.6
139.11174	3.0
141.07018	2.2
141.09106	1.5
141.12761	2.1
143.08533	2.4
144.08047	4.6
145.10144	2.8
147.04442	11.6
147.07999	2.8
147.11688	9.9
149.09636	25.9
149.13217	3.9
151.07542	4.8
151.11250	3.4
153.05420	1.7
153.09030	1.8
155.08604	2.0
156.09267	1.8
158.99660	6.5
161.13266	5.9
163.11182	6.4
163.14897	1.8
165.05469	2.8
165.06946	2.6
165.09102	14.4
165.12755	12.8
167.07013	2.8
167.10681	21.0
169.07622	2.4
169.10207	1.9
170.99680	1.4
171.11668	3.3
173.13271	1.4
175.03868	16.6
177.00691	5.0
177.12752	2.7
179.07013	1.9
180.04189	2.6
181.01962	1.3
181.10049	1.5
181.12219	1.7
183.06517	1.6
183.11632	1.2
183.12051	1.6
183.13803	21.9
189.12735	8.8
191.14360	4.9
192.04247	4.4
193.04962	1.7
207.06516	22.9
207.08398	2.0
207.13780	22.2
214.08405	3.7
225.07358	2.8
225.09238	5.2
225.14856	17.5
225.16634	2.3
225.19885	1.9
226.10899	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05510	4.0
59.05012	0.8
59.18771	0.8
66.09093	0.8
66.40312	0.7
67.05510	1.7
69.03418	1.2
69.07066	1.6
70.55282	2.3
71.04995	37.8
77.42339	0.8
79.05481	3.4
81.03397	1.9
81.07051	4.7
83.04961	2.9
83.08624	6.3
85.02890	2.3
85.06582	1.2
85.24924	0.7
87.04459	0.7
88.01759	0.7
91.05478	4.1
93.07034	3.6
95.04958	1.9
95.08062	1.0
95.08615	7.0
97.06523	2.3
97.93935	0.7
99.04457	100.0
105.07012	5.4
107.07885	1.7
107.08594	30.0
109.05811	1.3
109.06523	21.2
109.10139	2.0
113.09629	3.1
119.08568	3.8
121.10148	11.3
123.08069	13.0
123.11707	11.1
125.09646	7.9
127.07549	0.8
131.08560	1.7
135.08101	1.2
137.09634	2.0
139.11179	2.2
141.12746	2.3
147.11719	5.4
149.09625	15.5
151.07597	1.2
158.64920	0.8
161.13239	2.6
163.11143	1.7
165.09146	0.9
165.12776	9.3
167.10684	25.5
179.14328	1.2
183.10300	0.9
183.12163	1.4
183.13817	28.1
189.12718	1.6
207.06538	0.9
207.13840	4.4
225.14854	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05500	4.5
57.07062	1.9
65.03918	1.5
67.05498	4.5
69.03410	2.9
69.07064	3.2
69.29726	13.0
69.72355	1.6
71.04977	2.4
79.05486	5.1
81.07059	22.5
83.04982	3.1
85.02908	100.0
91.04967	2.6
91.05478	24.2
91.40099	1.5
93.07040	11.2
95.04952	5.0
95.08614	8.5
97.06537	2.2
99.04426	4.4
105.07036	7.8
107.04978	1.7
107.08594	13.3
109.06504	6.2
109.10148	13.0
111.04468	1.6
119.04942	16.4
119.08582	11.2
121.06526	2.5
121.10152	15.0
123.04459	1.4
123.08046	10.7
123.11709	67.5
125.05990	8.6
131.08554	1.6
133.10167	2.1
135.08078	9.6
135.11688	6.1
137.09625	6.9
145.10147	2.5
147.04427	15.7
147.08049	3.6
147.11652	4.7
149.02306	1.6
149.09654	11.7
151.07535	3.2
157.03944	1.7
161.13251	2.6
163.11188	4.5
164.04649	1.9
165.09129	8.3
167.10687	3.3
175.03891	27.8
181.12225	4.9
189.12746	4.6
189.27115	1.4
192.04210	8.0
207.06543	29.6
207.13805	17.8
225.14841	8.9
242.48686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.09451	1.0
53.03939	1.6
55.01861	1.3
55.05511	6.4
56.96564	1.3
57.03447	1.3
57.07074	1.8
65.03920	3.6
67.05502	8.0
69.03417	2.6
69.07053	3.6
71.01306	1.1
71.04985	5.3
77.03898	1.8
78.76682	1.3
79.05490	7.6
81.03384	1.7
81.07059	9.4
83.04967	4.9
83.08607	4.8
85.02878	2.7
85.06539	1.8
89.03916	3.1
91.05484	67.4
91.55756	1.1
93.07049	6.1
95.04967	5.7
95.08611	12.8
97.02895	1.6
97.06525	4.6
97.10146	2.0
99.04462	10.4
100.11240	1.4
101.94997	1.2
103.05449	2.3
105.03416	8.2
105.07050	5.3
107.04932	3.9
107.08580	6.8
108.05762	1.6
109.06515	5.1
109.10145	4.6
110.35020	1.0
111.08089	2.0
111.72794	1.1
113.02413	1.4
113.06011	1.3
118.04167	5.1
119.04944	63.5
119.08572	5.1
121.02833	1.4
121.06491	2.3
121.10128	5.0
123.04430	4.6
123.08085	8.5
123.11692	3.3
125.05989	6.5
125.09605	1.6
127.03916	1.2
128.00749	2.1
129.01808	3.7
129.07007	1.1
131.06870	2.0
132.02046	3.5
133.02806	2.5
133.10117	3.1
135.04410	3.9
135.08035	1.5
135.11659	1.2
136.05156	2.2
137.05934	4.2
137.09608	3.1
139.03888	1.5
141.09111	1.1
144.08090	1.8
145.10152	1.4
146.03612	2.4
146.09004	1.1
147.04414	53.8
147.08038	1.9
147.11668	3.2
149.02327	11.1
149.09608	3.4
151.03969	1.3
151.07567	3.3
153.05476	2.3
155.06996	2.7
155.08522	1.1
156.07698	1.2
157.03989	6.6
157.08426	1.8
161.13214	1.7
163.03934	3.5
163.11198	10.5
164.04700	7.1
165.05424	2.1
165.06796	1.4
165.09134	6.5
165.12802	2.0
167.07114	3.7
167.10645	3.1
168.07683	6.6
169.08444	7.6
169.10031	1.0
170.09282	6.5
173.01782	1.3
174.03079	1.2
175.03905	86.4
177.01855	3.8
177.05336	1.3
179.07066	7.0
179.10583	1.9
179.14349	1.4
180.04190	3.5
180.08022	1.4
181.08472	7.6
181.12231	1.5
182.09290	3.4
183.06537	1.8
183.10062	10.3
183.13646	4.5
189.09135	2.0
189.12727	1.9
191.02736	1.6
192.04170	32.4
193.04935	2.8
195.10065	4.5
196.10776	4.9
197.05997	1.5
197.08087	1.1
207.06534	100.0
207.10153	7.9
207.13797	4.9
210.06584	1.3
225.07248	1.9
225.09422	5.4
225.11111	3.4
225.14696	22.5
225.16545	1.9
225.18228	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76715	2.1
56.96568	20.6
57.88038	2.3
61.02947	2.4
69.70987	13.6
74.97601	2.5
86.97605	4.7
96.99867	5.4
98.21563	2.3
98.97569	6.1
101.00898	17.9
108.99892	7.0
113.05804	2.2
113.99146	2.3
114.97082	4.7
115.19671	2.1
116.98621	3.7
118.00404	16.8
118.50446	4.0
119.01903	26.3
120.99867	4.9
122.99632	12.6
124.00387	4.6
124.02482	2.6
125.99047	2.5
127.00898	3.4
129.51166	5.9
130.00374	35.4
130.50432	7.0
131.00253	2.7
131.01892	2.4
132.00128	32.2
132.50174	8.1
132.98120	8.5
134.99663	4.7
137.02899	2.8
138.39111	2.2
139.00899	41.6
139.50920	12.4
140.00748	5.7
141.00662	8.7
141.51198	11.0
142.01201	4.4
142.03510	8.5
142.22247	2.6
143.50951	4.6
144.00111	45.5
144.50153	10.6
144.98073	4.3
144.99080	8.3
145.99863	9.7
148.01477	3.6
150.51678	15.2
150.99074	12.1
151.01735	3.0
151.99896	6.3
153.00645	73.8
153.50691	24.2
153.99606	14.0
154.00493	4.3
154.49652	6.8
155.00412	3.3
155.50926	14.0
156.00993	7.0
156.99023	7.1
157.50629	2.7
157.99922	2.7
158.97298	4.3
158.99940	3.1
159.49438	2.7
159.99654	7.0
161.00490	4.9
161.02968	6.4
162.01215	3.9
163.00169	13.0
163.50241	3.7
164.51439	16.6
165.01639	3.3
165.50412	9.4
165.99564	34.7
166.49680	4.2
167.00510	3.8
167.99318	3.1
169.00073	7.1
171.50378	2.6
172.00548	5.0
173.99518	2.5
174.50920	5.4
175.00143	100.0
175.50221	29.1
176.00134	8.1
177.00946	10.1
177.43033	2.6
177.50359	16.3
178.00438	4.3
178.98633	2.7
179.03964	5.1
179.99371	8.4
180.49530	3.6
181.99010	7.3
182.99857	5.3
184.00665	42.9
184.50780	11.3
185.00652	3.3
186.50952	74.2
186.99361	8.6
187.01028	21.8
187.50812	11.5
187.99098	21.2
188.49196	5.7
189.00027	16.7
189.49950	5.9
190.99568	8.8
191.50130	10.9
191.99922	2.6
195.51474	21.7
196.01521	5.8
196.51376	5.7
196.99635	40.7
197.49754	13.7
198.00401	9.3
198.50478	2.8
199.49896	29.0
200.00009	8.6
200.50751	23.8
201.00751	14.2
201.02502	5.5
201.98860	4.2
202.01067	9.9
203.00674	2.8
206.00179	3.3
206.98212	4.3
208.50415	59.1
209.00520	21.4
209.50990	7.7
209.98497	5.1
210.01247	3.8
210.99348	33.2
211.01041	2.8
211.49484	9.7
211.99382	4.1
212.49300	2.7
213.49695	8.0
218.01120	2.7
219.02002	11.9
219.99892	30.5
220.02119	19.9
220.49933	6.5
220.99852	4.6
221.01836	4.1
222.50191	28.1
223.00301	8.7
223.49971	2.7
224.99139	8.1
225.02496	4.0
227.99641	10.0
231.50719	14.0
249.23946	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	224.1434
Annotation	(R,S)-Tetrahydrobenzylisoquinoline
Peak:m/z	Relative Intensity
53.03942	0.7
54.33827	0.5
57.07075	1.1
58.82179	0.4
61.65152	0.4
65.03945	0.8
69.07057	1.2
69.40749	2.0
69.41177	2.0
73.63226	0.5
79.05495	8.7
81.07066	5.6
83.04984	0.6
86.65177	0.5
87.09388	0.5
91.05476	5.5
93.07050	3.5
95.04988	0.7
95.08578	0.5
99.04449	0.8
105.07034	2.8
106.06572	0.7
107.08600	7.8
109.06511	0.9
115.05471	0.6
117.05791	2.6
118.06546	2.1
119.04930	0.8
128.06184	0.7
129.07010	7.8
130.06529	23.4
131.07330	2.9
132.08092	2.2
141.06911	0.8
143.07320	1.5
144.08076	9.0
145.08899	3.6
147.04454	0.6
154.06517	7.9
154.36749	0.5
155.07310	20.3
155.08539	0.9
156.08104	12.6
157.08838	0.9
158.09610	1.9
163.11156	1.0
165.07027	0.7
167.07312	41.1
168.08096	61.4
169.08876	63.8
170.09674	3.1
175.03946	0.9
180.08083	42.4
181.08865	29.7
182.09657	67.0
183.10434	3.3
193.08861	1.0
194.09654	34.1
195.10451	31.4
196.11235	9.1
207.06558	1.0
208.11218	7.1
209.11995	9.6
222.12839	3.6
224.14346	100.0
225.14706	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	224.0917
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
56.96571	1.0
62.06100	0.9
68.86151	0.4
69.07076	0.5
70.06596	2.1
70.93091	0.9
72.08155	0.6
74.02430	0.7
79.05482	2.8
81.03423	1.0
81.67838	0.4
84.08141	1.6
85.02920	0.9
86.09683	0.6
88.04007	0.5
91.05485	4.6
93.07054	0.7
103.05465	6.5
105.07030	23.5
107.04948	3.1
108.08088	0.5
110.06055	1.8
110.07139	1.0
111.04434	0.7
115.05449	1.7
117.05766	7.3
119.04912	0.6
119.07339	4.2
120.08080	2.1
121.06521	1.3
122.06087	0.5
130.06543	5.9
131.04947	2.7
131.07291	0.4
132.08090	100.0
133.06471	1.0
133.08452	0.5
134.06058	0.5
136.03981	0.7
136.06310	0.6
136.07585	2.7
147.04442	1.2
149.06012	0.7
150.02679	0.6
150.09206	2.3
160.07651	0.6
162.05479	0.6
165.05463	8.2
175.11949	0.4
178.03246	1.7
178.08632	94.3
179.08994	0.7
182.08150	0.7
194.55475	0.5
201.00705	0.5
206.02727	0.5
206.08089	0.9
206.11823	1.6
224.03757	1.0
224.09149	4.8
224.12856	4.4
224.16367	1.0
226.04382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03934	3.5
55.05497	1.1
55.73529	0.9
56.05013	1.2
56.96557	1.7
58.06591	3.7
67.05473	1.0
68.05021	1.8
69.03420	1.4
69.07085	1.2
70.06599	7.3
71.48780	1.5
72.08147	1.8
73.00623	1.0
73.05291	1.0
76.07645	1.4
79.05502	7.8
81.03414	2.7
81.07042	1.1
81.50350	0.8
82.06578	1.3
83.04963	1.3
84.04498	1.5
84.08141	3.5
91.05490	11.5
93.07043	2.7
94.06539	1.5
95.04964	1.2
96.04518	1.1
98.97547	1.4
99.04464	1.9
103.05463	13.8
105.07038	32.0
107.04980	4.8
108.04501	1.5
109.02888	19.3
110.06050	1.0
114.05540	3.8
114.09108	1.0
115.05457	1.3
117.07032	1.6
118.06545	14.1
119.04974	2.1
119.07324	1.8
120.08120	23.6
121.06536	2.0
121.08437	1.0
123.04445	1.5
123.08105	1.2
128.06219	6.9
129.10196	1.2
130.06546	3.1
131.04930	3.7
131.07306	3.4
131.08591	1.7
132.08086	3.2
136.03958	1.2
136.07582	4.2
137.05988	1.3
143.08559	3.0
147.04420	3.1
149.02348	1.2
150.02689	1.4
150.09158	6.0
151.03960	1.3
160.11221	100.0
161.11530	1.6
165.05504	1.4
178.04814	1.2
178.08723	5.6
178.12274	76.3
182.08107	1.2
196.09622	1.5
206.07809	3.3
206.11772	13.4
224.05537	1.2
224.07591	1.0
224.09332	10.6
224.12810	27.8
224.16495	3.0
226.04413	4.2
228.02177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05514	72.6
56.87705	0.6
58.99595	4.8
69.03424	0.7
70.06593	1.4
70.64359	0.9
72.76296	0.6
76.02222	1.6
79.45418	0.7
81.07063	0.8
83.08622	100.0
84.08942	1.0
86.99065	5.3
91.27174	0.7
101.09660	16.8
105.00098	8.1
107.04984	1.2
122.02753	1.1
123.04384	0.7
145.65839	0.6
147.04478	1.2
159.08398	0.9
176.07080	0.9
205.08948	15.1
222.07707	2.0
222.11424	1.1
222.14995	1.6
236.89203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.64731	0.9
55.01863	1.0
55.05498	4.6
56.96572	1.1
57.07073	5.4
59.04993	1.5
67.05511	6.0
69.03416	1.2
69.07073	10.8
71.49819	1.7
75.35830	1.0
79.05490	3.9
81.07069	9.7
83.08607	3.2
85.02908	8.0
91.05485	3.8
93.07050	5.9
95.04945	2.9
95.08612	8.9
96.36758	1.2
103.05482	1.2
103.96959	1.0
105.07033	8.6
107.08588	6.9
109.06548	8.5
109.10160	5.2
111.08102	2.2
117.07030	1.5
119.04972	1.2
119.08586	13.6
121.06499	3.5
121.10172	6.1
123.08080	10.6
123.11697	2.9
130.06520	3.1
131.08575	1.6
132.04433	1.3
133.06520	1.6
133.10139	25.0
135.08018	2.9
135.11679	3.9
137.05975	2.6
137.09622	2.8
137.13252	1.8
143.08528	1.3
145.10126	4.5
147.04430	5.3
147.08005	2.2
147.11690	2.1
149.02341	2.1
149.03479	1.2
151.07542	22.4
152.08226	1.4
158.06007	1.5
159.11739	2.1
161.09586	1.7
161.13268	39.5
163.11212	2.5
165.05428	1.8
165.09074	5.4
174.99245	1.1
175.08702	2.9
175.14795	5.2
179.14279	3.6
185.13348	2.1
193.04889	1.1
193.15829	1.6
203.10730	1.7
203.14235	2.8
203.17993	1.4
203.84883	1.1
206.16185	4.1
221.04442	2.4
221.07860	2.3
221.13490	4.2
221.15364	100.0
221.18855	3.8
222.15695	2.4
228.42815	1.0
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	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
52.90413	1.7
53.03939	3.8
55.01880	9.5
55.05274	3.2
55.05514	38.4
57.03425	3.0
57.07062	9.0
58.06601	2.2
65.03922	4.2
67.05505	28.3
69.03437	72.2
69.07063	14.8
69.24754	5.6
69.25174	10.9
71.04984	4.2
72.59091	1.9
74.70556	1.8
79.05090	3.1
79.05502	42.4
81.03377	2.8
81.07062	85.6
83.04990	37.5
83.08603	13.1
85.06536	2.6
85.09137	1.8
89.78745	1.8
91.05493	20.7
93.07058	21.7
93.60270	2.0
94.08591	2.0
95.04971	17.7
95.08613	31.5
97.06540	4.6
97.10150	3.1
98.66910	1.9
103.05438	4.3
105.07035	32.3
107.04971	10.7
107.08596	23.6
108.05729	2.4
109.06528	42.7
109.10159	43.1
110.07277	7.4
111.08087	28.8
113.83749	2.0
115.05438	5.4
117.06982	8.9
119.04938	5.2
119.07822	3.1
119.08593	46.9
121.06497	8.6
121.10152	37.0
121.20560	2.0
122.07233	6.1
123.08078	40.1
123.11699	4.7
125.09639	2.4
128.06235	21.0
129.06984	3.0
130.06525	4.7
131.04858	3.2
131.08545	6.2
133.06468	5.7
133.10136	29.8
135.08058	6.5
135.11743	10.5
137.05989	64.2
137.09616	38.9
138.10371	8.0
139.11148	4.5
143.04851	2.3
143.08562	23.0
145.06485	5.7
145.10106	7.5
147.04414	7.3
147.08083	14.4
147.11691	11.0
149.02356	4.1
149.09653	5.3
151.07547	20.7
151.11169	5.8
151.14832	4.0
157.06494	2.5
157.10141	2.5
158.06052	5.4
159.04475	2.1
159.08052	5.8
159.11687	6.2
160.05193	3.8
160.08894	2.4
161.05975	7.1
161.09589	8.5
161.13258	15.8
162.06705	5.2
163.07579	3.0
163.11197	21.9
165.09143	8.9
171.08057	20.8
173.05954	2.8
174.06790	11.4
175.07443	15.8
175.08821	4.1
175.11191	4.7
175.14864	13.9
177.07657	3.5
177.09120	63.6
177.12740	6.1
179.11879	2.6
179.14255	3.4
185.13330	3.7
188.08365	12.8
191.10638	2.9
192.15123	3.8
193.15916	19.7
203.07007	2.3
203.10715	45.0
203.14244	7.0
204.11229	2.3
206.16260	3.4
221.04359	2.2
221.13194	4.0
221.15359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64931	1.1
74.02440	0.9
82.02938	1.7
94.06561	4.4
102.07411	0.4
103.05476	0.5
104.05011	0.6
115.05460	1.3
120.08124	1.1
130.06529	68.9
131.06897	1.0
132.04456	40.9
133.04820	0.6
134.05957	0.6
146.05984	0.6
147.09137	1.0
148.07593	3.8
157.07614	26.4
158.06015	85.4
159.06378	0.8
175.08673	100.0
176.07088	2.3
176.09026	1.2
185.07143	1.0
186.05469	3.4
203.08167	3.8
204.06580	5.3
221.09222	19.7
221.11418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
64.57256	0.6
71.42278	1.3
71.44214	0.8
71.50513	0.8
74.02446	0.9
80.81862	0.6
81.82321	0.7
82.02931	2.2
86.16500	0.7
94.06571	4.7
104.05013	1.1
107.83640	0.9
111.27873	0.9
130.06531	71.5
131.06926	1.0
132.04457	42.8
147.09171	1.0
148.07581	3.7
157.07620	36.7
158.06018	83.7
159.06364	1.5
175.08676	100.0
176.07089	2.3
185.07076	1.2
186.05481	3.3
203.08162	11.3
204.06660	4.0
216.43306	0.8
221.09241	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	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69048	0.1
55.05503	0.2
65.03931	0.1
67.05492	0.2
69.03435	0.1
69.07061	0.1
69.24886	0.4
69.25314	0.4
71.04994	0.1
77.03923	0.1
79.05474	0.3
81.07040	0.4
83.04956	0.1
86.34193	0.1
91.05465	0.9
93.07022	0.3
95.04957	0.1
95.08584	0.2
98.21526	0.2
99.04431	0.1
103.05453	0.2
105.07037	0.5
107.04958	0.1
107.08585	0.3
109.06493	0.2
109.10149	0.2
111.08049	0.1
115.05434	1.2
116.06255	0.6
117.07018	4.5
119.04935	0.3
119.08598	0.5
120.05769	0.1
121.06482	0.4
121.10157	0.2
123.08038	0.1
128.06233	1.0
129.07010	0.2
130.06541	0.2
131.04893	0.1
131.08594	0.2
132.05722	0.2
133.06500	0.8
133.10120	0.3
134.07277	1.1
135.08043	0.9
135.11649	0.2
137.09528	0.1
141.06949	0.1
143.08568	1.0
144.05707	0.6
145.06487	1.0
146.07257	0.1
147.04381	0.3
147.08055	0.3
147.11671	0.2
149.05966	0.1
149.09596	0.3
151.07487	0.1
155.06044	0.1
159.08014	0.2
160.05208	0.2
161.05963	0.4
161.09703	0.1
161.13208	0.2
162.06755	5.4
171.08029	0.6
175.07515	2.2
175.11249	0.1
175.14799	0.2
177.09097	100.0
178.07898	0.1
178.09438	1.2
193.15962	0.1
203.10732	0.5
203.14281	0.1
206.16171	0.1
221.04407	0.1
221.07758	0.1
221.09732	0.2
221.11732	0.5
221.15355	0.2
221.18961	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
52.30845	0.5
56.05016	0.6
56.50938	0.5
58.06606	4.6
64.64114	0.6
70.06589	0.5
71.42326	1.0
74.02422	1.0
74.06063	1.9
82.02922	1.8
84.04492	2.2
85.02889	0.8
92.07118	1.2
93.93311	0.5
94.06573	4.4
95.29539	0.6
102.98501	0.8
103.05450	0.8
115.05459	1.1
120.08131	0.9
130.06529	68.0
131.06876	0.7
132.04454	42.9
133.04857	0.7
140.04976	0.7
146.06015	0.8
147.09152	0.8
148.07582	2.8
156.06734	0.7
157.07620	31.7
158.06018	82.4
159.01311	0.6
159.06438	0.7
161.74203	0.6
175.08673	100.0
176.07086	2.4
176.09048	0.9
186.05513	2.1
203.08206	9.0
204.06601	4.4
204.08394	1.1
221.09238	19.3
221.12747	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	219.2107
Annotation	(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene
Peak:m/z	Relative Intensity
54.25188	2.6
55.05516	26.4
57.07066	10.0
65.03940	2.8
67.05509	20.8
69.07066	40.0
69.80818	14.2
71.08620	3.7
76.38283	2.2
77.03857	3.1
79.05482	19.0
81.07059	39.9
83.08618	13.4
91.05477	7.8
93.07041	46.3
95.08605	46.0
97.10165	8.7
105.07035	13.7
107.08595	71.3
109.06492	3.1
109.10156	48.1
111.11686	4.7
117.06998	3.5
119.08571	11.2
121.10139	53.3
123.11718	32.0
129.07005	4.2
131.08585	2.7
133.10129	7.2
135.11694	42.2
136.08711	3.1
137.10744	2.8
137.13226	8.4
145.10121	5.1
146.05931	3.0
147.08055	2.8
147.11662	2.7
149.13266	40.0
158.07220	3.0
159.08066	5.3
159.11717	5.9
161.13295	4.4
163.14835	39.8
169.06419	3.1
174.06792	4.8
175.40488	2.6
177.16418	7.3
178.10866	2.7
189.09167	7.6
198.36378	3.1
201.12888	2.8
201.16449	3.9
203.14302	23.9
206.23181	3.3
208.38483	2.5
219.10127	9.2
219.13770	10.4
219.17448	100.0
219.20984	46.9
220.21599	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	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
55.05507	0.7
56.01414	0.8
57.07076	5.8
59.04999	6.8
67.05507	5.1
69.07077	5.4
70.02952	7.9
71.10863	1.7
72.04520	17.4
73.02910	3.9
74.02433	2.3
74.56255	0.8
81.07060	0.8
83.04974	1.4
84.04498	0.9
85.06546	11.7
86.09705	1.9
87.08114	2.2
90.05555	100.0
95.04964	7.7
96.08116	1.6
97.02850	0.8
98.02416	18.3
100.03992	2.1
103.07577	7.5
112.07621	0.9
113.06013	2.8
116.03465	11.7
121.06528	0.9
124.07587	19.5
130.06520	1.1
132.04474	1.0
142.08643	7.6
145.10170	1.0
146.06010	3.1
156.10237	1.4
157.07523	0.9
158.06013	2.0
160.09731	2.1
166.08553	3.4
174.11230	1.7
175.08669	2.8
184.09683	19.7
192.06444	0.8
202.08835	1.7
202.10741	30.6
203.11011	0.7
204.14749	1.0
205.15929	4.5
205.17760	0.8
220.09700	1.5
220.11809	25.9
220.13838	1.4
220.17767	3.4
221.09286	0.7
239.56039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01868	1.1
56.01404	1.1
57.07080	7.2
59.04995	5.4
62.35519	0.9
63.88110	1.2
67.05500	6.5
69.07052	7.0
70.02946	8.0
71.12794	2.0
72.04518	19.1
73.02911	2.9
74.02413	3.1
83.75984	1.0
85.06544	10.9
86.09689	1.5
87.08097	2.1
90.05559	100.0
95.04960	8.7
96.08131	3.4
96.12853	1.0
98.02419	18.3
100.03960	3.0
100.40557	1.1
103.07578	8.2
113.06006	3.6
116.03465	13.5
124.07596	19.2
131.06998	1.1
142.08623	8.0
156.10280	1.2
160.09705	2.6
166.08636	2.9
174.11247	2.6
175.08611	1.5
184.09695	18.9
202.10742	30.9
205.15889	2.9
206.74338	1.1
220.11784	27.3
220.13824	1.4
220.18002	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.72391	1.0
54.23830	0.9
57.03425	2.0
67.05483	1.0
70.62592	2.8
71.04984	0.9
81.07041	1.1
81.09566	1.0
91.05489	11.1
93.07053	1.3
95.08605	1.2
103.05464	3.0
105.06993	1.9
107.08592	2.4
109.06557	1.0
115.05453	13.2
116.06218	2.9
117.07022	3.4
119.08577	1.6
120.50297	1.0
121.10125	1.6
128.06198	9.7
129.07007	41.6
130.07753	3.4
131.04950	7.0
131.08571	40.4
131.12907	1.1
132.05655	1.6
133.10132	2.1
135.08037	2.7
137.05995	3.7
141.06992	36.9
143.04939	2.2
143.08557	1.6
144.05730	6.7
145.06470	7.2
145.10123	1.3
146.07306	4.9
148.05234	1.5
151.03902	4.1
155.06036	1.9
157.06485	21.2
158.07281	22.1
159.04384	3.1
159.08060	28.2
159.09402	1.5
160.05185	5.4
161.05899	1.4
161.09608	3.5
163.07533	2.6
169.06467	17.7
169.07643	1.8
170.07263	7.2
173.06020	5.3
173.09621	2.5
173.13255	1.0
174.06769	77.7
175.07567	10.4
185.05925	1.9
186.06773	19.6
187.07491	2.9
188.08299	4.0
189.09106	100.0
190.09474	1.8
191.06987	1.6
191.10748	7.6
195.49979	1.1
201.09117	39.7
203.14351	3.4
219.10162	97.1
219.13750	2.9
219.17378	12.4
220.10547	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.24747	1.5
55.05499	2.1
57.03422	2.1
60.04492	2.2
62.82312	1.6
65.03944	1.8
67.05497	2.2
68.99771	1.6
69.07061	2.6
70.85493	3.8
71.04969	1.8
79.05484	3.3
81.07036	4.7
91.05470	17.8
92.71610	1.8
93.07034	5.4
95.04963	2.7
95.08605	4.1
103.05434	4.0
105.07034	7.7
107.04946	2.4
107.08601	4.0
115.05438	12.1
116.06223	5.0
117.07008	4.4
119.08561	6.0
120.08087	3.5
121.06448	2.0
121.10139	7.8
122.85558	1.7
123.04386	2.8
128.06255	10.4
129.07004	46.3
130.07753	2.5
131.04919	9.5
131.08559	43.3
133.10115	6.7
135.08109	2.7
137.05988	3.5
141.06987	39.4
143.04916	2.5
143.08540	4.6
144.05682	6.9
145.06453	9.5
145.10193	4.0
146.07228	4.6
147.08104	2.0
147.11694	2.1
149.09488	1.8
151.03888	24.6
151.07324	2.2
155.05989	2.8
157.06480	22.1
158.07274	19.2
158.99556	1.6
159.04436	2.8
159.06859	2.4
159.08043	29.2
159.11665	5.0
160.05206	5.2
161.05994	1.7
161.09601	3.9
163.07512	3.3
169.06450	16.7
169.07663	3.2
170.07285	7.9
173.05971	5.9
173.09593	4.4
173.13269	2.1
174.06763	79.1
175.07549	17.1
177.05386	2.5
177.09015	2.5
185.06021	2.2
185.13321	1.8
186.06755	19.0
187.07509	5.7
188.08284	4.0
189.09097	98.8
191.06932	2.1
191.10606	9.3
200.42799	1.7
201.09084	40.9
201.16379	2.4
203.14302	20.0
219.05797	3.5
219.10147	100.0
219.13763	4.1
219.17422	70.2
234.55855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03429	1.3
67.05489	1.8
70.94715	2.2
81.07053	1.3
91.05482	12.7
93.07027	1.6
95.04971	1.5
97.21786	1.1
103.05476	2.8
105.07037	3.0
115.05446	13.0
116.06203	4.3
117.07005	3.2
119.08576	3.1
120.08116	1.4
121.06487	1.3
128.06223	12.3
129.07005	47.6
130.07751	3.2
131.04924	9.8
131.08571	44.8
133.10138	1.5
137.05960	4.1
141.06989	39.9
142.07396	1.0
143.04916	4.1
143.08553	1.9
144.05684	6.9
145.06454	7.3
145.10132	1.8
146.07283	6.3
151.03909	9.1
155.06050	2.0
157.06480	23.9
158.07263	25.0
159.04434	2.9
159.08064	27.0
160.05141	5.8
161.05917	1.7
161.09616	4.3
163.07581	2.5
169.06444	17.7
169.07617	1.9
170.07251	8.7
173.05962	4.2
173.09653	2.1
174.06770	85.6
175.07536	12.3
186.06750	21.5
187.07487	3.6
188.08299	3.8
189.09106	99.6
190.09526	1.5
191.07083	1.9
191.10689	8.3
201.09114	43.3
201.10997	2.3
203.14325	4.3
204.57829	1.1
219.10162	100.0
219.17432	13.4
220.10461	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05481	1.3
57.03431	2.6
60.04490	1.1
66.13441	0.9
67.05495	2.5
69.07066	1.3
70.12429	0.9
70.68000	2.5
70.68330	1.0
70.86028	1.0
71.05002	1.0
77.03894	1.0
79.05484	1.5
81.03420	1.8
81.07043	2.3
86.09682	1.8
91.05482	11.4
93.07044	3.3
95.04895	0.9
95.08597	1.7
97.31955	1.2
103.05458	5.0
105.07028	5.1
107.08575	1.9
109.02858	1.4
109.06528	1.7
111.04485	1.0
115.05455	10.1
116.06240	3.2
117.07011	4.0
119.08570	3.7
121.10108	2.8
128.06232	10.1
129.07014	40.0
130.07799	2.1
131.04933	8.3
131.08571	39.6
133.06442	1.4
133.10123	6.8
135.08067	1.8
135.11763	1.2
137.05966	4.4
141.06996	36.1
143.04890	1.7
143.08559	2.5
144.05734	5.5
145.06480	8.4
145.10089	2.8
146.07274	6.0
148.05159	1.4
151.03915	7.4
155.06018	2.2
157.05244	1.8
157.06487	24.2
157.07761	1.5
158.07288	23.5
159.04408	4.0
159.08066	26.4
159.11746	2.0
160.05225	6.9
160.07509	1.9
161.09615	5.1
161.13246	2.1
162.06636	1.0
163.07584	2.0
163.11154	1.1
169.06464	14.5
169.07697	1.4
170.07291	7.0
173.05980	5.0
173.09546	1.8
173.13245	1.3
174.06770	79.3
175.07533	15.5
176.08260	1.5
185.06061	1.3
186.06767	18.1
187.07446	2.4
188.08342	4.4
189.09111	95.2
190.09499	2.2
191.07056	2.7
191.10670	6.8
201.09111	44.8
201.10989	2.1
202.08508	1.1
203.14330	15.0
219.10162	100.0
219.17432	41.9
219.19638	1.5
226.50847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05509	1.4
67.05495	2.7
67.68561	1.0
69.07061	2.4
70.79941	2.5
70.80298	1.6
77.28452	1.1
81.07050	2.7
91.05492	11.1
93.07045	2.7
95.08601	2.7
103.05460	2.9
105.07030	3.3
107.08588	4.0
109.10155	2.3
115.05442	7.6
116.06238	2.9
117.07012	2.4
119.08581	2.2
121.10148	3.9
128.06210	9.9
129.07010	41.1
129.91267	1.0
130.07784	2.2
131.04926	9.5
131.08568	40.0
133.10143	2.8
133.96970	1.3
135.11635	2.6
137.05960	4.4
141.06993	39.0
143.04942	2.3
143.08560	1.6
143.20999	1.1
144.05736	5.2
145.06471	7.2
145.10080	1.3
146.07259	5.9
148.05173	1.1
149.13246	3.1
155.06065	2.4
157.06491	22.8
158.07278	23.0
159.04434	3.4
159.08073	26.4
160.05177	5.7
161.09610	4.2
163.07533	3.4
163.14816	2.1
168.05827	1.1
169.06473	12.6
169.07689	2.1
170.07275	8.3
173.06004	5.7
173.09531	2.3
174.06776	75.4
175.07527	13.0
186.06769	17.4
187.07567	1.4
188.08342	3.7
189.09114	97.8
190.09485	1.8
191.06982	1.7
191.10674	9.1
201.09114	42.5
203.14348	5.3
219.10170	100.0
219.17404	18.7
219.21115	2.0
220.10461	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.71219	1.4
54.36891	1.4
55.05517	2.6
57.03423	1.5
57.07071	1.7
58.09954	1.3
67.05500	4.0
69.07066	2.8
79.05504	2.3
81.07044	4.7
84.08107	1.4
91.05481	15.4
93.07034	3.0
95.08580	3.7
103.05490	3.9
105.07030	5.9
107.08585	4.9
110.07136	2.6
115.05457	11.7
116.06223	2.5
116.34334	1.5
117.07019	4.0
117.58330	2.1
119.08585	5.9
121.10123	4.4
128.06230	12.1
129.07016	46.6
130.07747	2.2
131.04897	6.8
131.08565	37.9
132.05727	1.6
133.10182	2.6
134.07132	2.1
137.05969	4.7
137.08191	3.2
141.06982	37.6
143.04903	3.4
143.08537	3.6
144.05707	6.0
145.06473	8.6
145.10063	1.6
146.07245	6.0
148.05186	2.0
149.09608	1.6
151.07553	2.2
155.06094	1.8
157.06500	21.7
158.07268	22.3
159.04413	3.8
159.06870	1.9
159.08081	25.4
160.05231	5.1
161.09608	4.0
161.13153	1.8
169.06467	13.2
169.07657	1.9
170.07289	7.7
173.05997	5.2
173.13269	1.7
174.06772	77.2
175.07573	10.1
175.14856	1.8
186.06766	19.6
187.07585	3.0
188.08340	5.7
189.09116	100.0
191.10699	6.4
201.09108	43.5
203.14322	21.3
219.10178	86.9
219.13721	6.2
219.17439	57.3
219.20752	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05511	2.1
66.65834	1.3
67.05480	2.0
69.07055	2.8
71.23395	2.3
79.43725	1.2
81.07014	1.7
85.56760	1.4
86.62343	1.3
88.33020	1.3
91.05484	12.7
95.04973	1.3
95.08627	1.9
98.16391	1.2
100.43713	1.2
103.05484	3.7
105.07046	2.4
107.08579	2.8
108.17669	1.4
115.05480	11.2
116.06235	4.4
117.07044	3.3
119.08601	2.7
121.10108	3.9
128.06232	10.8
129.07008	43.1
129.68365	1.5
130.07785	2.6
131.04929	7.2
131.08574	43.6
133.10121	5.2
136.08630	1.3
137.05959	4.8
141.06995	36.0
142.07506	1.6
143.08568	2.8
144.05679	7.2
145.06477	6.0
145.74037	1.2
146.06090	2.2
146.07245	5.2
147.11723	1.5
148.05147	1.3
154.46375	1.4
157.05373	2.2
157.06505	18.6
158.07291	21.3
159.04433	4.1
159.08075	28.4
160.05208	4.5
161.09621	5.8
161.13292	1.8
162.06683	1.7
163.07593	2.0
169.06490	14.3
170.07259	5.8
170.92592	1.4
171.04448	1.7
173.05978	5.3
174.06775	86.0
175.07564	13.6
175.14983	1.5
178.10902	2.5
186.06747	19.8
187.07486	2.4
188.08348	3.9
189.09113	100.0
190.09572	1.6
191.10625	8.4
201.09097	39.4
202.10893	2.2
203.14317	17.4
219.10162	85.5
219.13663	6.1
219.17421	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	218.1024
Annotation	CJ 15801
Peak:m/z	Relative Intensity
53.03936	2.8
55.01856	1.7
55.05511	10.4
56.05014	4.3
56.05821	2.3
57.03408	5.3
59.04977	2.1
60.04529	10.0
62.10735	1.4
65.03935	1.8
67.05488	3.5
68.05003	3.8
68.05789	1.8
69.03408	4.9
70.06594	18.3
71.04994	9.2
71.06902	1.5
71.29047	2.6
72.04483	5.1
72.08157	39.1
72.45440	1.5
74.02445	3.2
74.06060	3.1
79.05476	2.6
79.05942	1.4
80.04988	3.4
81.03417	16.4
81.07028	3.7
81.27644	1.5
82.06578	21.0
83.01315	1.8
83.04986	12.4
84.04504	27.5
84.05293	5.6
84.08143	23.0
85.02905	19.8
85.06541	8.0
86.06046	3.7
86.09677	1.4
87.04469	3.5
87.06824	3.9
88.03973	2.2
88.07632	7.5
89.10757	6.1
90.05558	1.5
91.05447	1.9
93.06998	1.4
94.06520	2.5
95.01334	1.5
95.04916	3.9
96.04443	2.7
96.08099	1.8
97.02851	4.4
98.06030	6.4
99.04452	21.1
100.03990	2.1
100.07587	5.8
101.00827	1.9
101.05983	4.0
102.00957	2.6
102.05547	3.8
102.06345	1.9
103.03909	2.9
105.90022	1.3
107.23096	1.3
108.04443	6.2
108.08123	12.0
109.02898	10.5
109.06461	3.2
110.06004	1.9
110.09657	1.6
111.04437	10.0
112.04752	11.3
112.07555	5.3
113.06008	8.0
114.05499	2.3
114.09142	2.6
116.07099	8.2
119.01846	2.7
120.01973	6.0
120.82858	1.5
122.05995	2.2
125.02392	1.2
126.05514	8.4
126.09153	59.5
127.03889	1.9
127.07557	2.3
128.07083	21.4
128.07935	3.5
129.05464	1.9
130.05013	8.0
130.08591	2.6
131.05057	1.5
136.03951	6.5
136.07535	3.6
140.07013	3.9
141.05463	1.9
142.08595	3.1
144.06500	1.7
144.08029	1.9
146.03574	7.1
146.05954	2.8
154.04938	4.9
154.08624	88.3
155.06979	5.5
155.08911	4.1
156.07397	18.1
156.10172	2.2
158.08115	6.5
158.11749	1.6
159.06516	9.3
164.04552	3.4
172.04095	2.5
172.05959	6.0
172.09682	100.0
172.13235	9.3
173.08078	3.2
173.09982	1.9
174.08437	9.2
175.06247	1.6
176.07028	5.9
176.09132	3.0
182.08047	4.6
184.09665	2.3
190.02562	1.9
190.05156	1.6
190.08638	3.0
200.07196	2.2
200.09091	17.5
200.12718	3.5
203.14246	1.8
218.04524	3.4
218.07074	14.8
218.10175	91.2
218.13716	24.9
218.21037	1.9
219.10626	2.3
219.17287	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	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03940	2.3
55.05516	16.4
57.07070	2.9
59.04974	1.1
65.03930	1.1
67.05510	25.9
69.07073	21.5
69.21525	10.5
79.05494	8.1
81.07062	37.9
83.04994	10.8
83.08627	6.4
89.06048	1.5
91.05488	14.3
93.07046	18.8
95.08608	49.3
97.10149	2.5
101.06013	2.5
105.07034	52.0
107.08596	36.9
108.39453	1.0
109.06554	1.5
109.10160	56.0
111.04449	13.2
113.05996	1.3
117.06994	2.1
119.08585	52.7
121.10151	30.3
123.11720	19.3
127.07520	2.2
127.09484	2.8
129.05493	2.1
131.08553	3.7
133.10136	35.3
135.06697	1.2
135.11703	9.8
136.07404	1.6
137.13248	3.1
143.08594	1.5
145.10135	3.6
147.11696	37.3
149.13237	3.9
155.07036	18.6
157.10097	1.7
159.11681	3.8
161.13269	53.3
161.14626	2.6
173.08119	8.9
173.13312	1.3
175.09877	1.3
175.14838	12.8
176.09305	1.9
185.58669	1.1
185.85747	1.3
189.16396	2.8
199.11577	6.6
199.14771	1.5
217.10599	10.6
217.12514	9.8
217.16000	2.9
217.19519	100.0
218.19667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03935	3.3
55.01851	4.7
55.05512	100.0
57.03439	24.1
57.07071	3.1
58.50917	1.3
59.04990	5.3
65.03947	1.4
67.05505	35.7
69.03413	4.8
69.07069	30.0
69.26308	1.3
70.06584	3.3
71.04964	1.4
71.06902	1.6
71.50217	1.6
73.02898	2.7
79.05495	33.2
81.03400	2.9
81.06592	2.5
81.07059	45.9
83.04980	49.3
83.08154	2.5
83.08618	33.4
84.05270	1.4
85.06531	4.3
87.04437	6.1
89.02381	4.3
89.06017	5.4
89.77541	1.1
91.05481	14.2
93.07047	21.1
95.08611	51.5
97.09549	2.7
97.10169	47.1
99.04442	4.7
101.06019	16.6
105.07033	44.5
107.08598	54.2
109.10159	50.1
111.04443	60.0
113.06013	7.1
117.07014	1.5
119.08588	42.8
121.10149	30.5
123.11710	19.6
125.09629	19.3
126.09160	2.5
127.07566	10.2
127.09485	5.5
129.05502	10.9
129.06966	2.1
131.08539	3.5
133.10130	29.4
135.11687	11.2
137.05960	2.5
137.13210	2.0
143.10675	2.3
145.10092	4.1
147.11694	33.7
149.13268	7.1
155.07034	74.5
156.07436	1.9
159.11690	3.3
161.13257	43.0
173.08095	42.9
173.13260	1.6
175.14861	10.6
183.35381	1.2
189.16380	5.6
199.09641	4.0
199.11601	7.1
199.14799	1.5
217.10692	31.8
217.12558	13.6
217.14362	29.0
217.15990	4.2
217.19522	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	217.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01877	1.4
55.05513	30.9
57.07064	2.4
59.05005	1.9
64.03619	0.9
65.03947	2.0
67.05186	1.5
67.05508	22.7
69.03445	1.8
69.07069	14.3
70.06583	5.1
71.04989	2.1
71.06922	2.0
72.05322	2.4
73.02893	1.1
79.05495	8.5
81.03424	1.2
81.06600	2.1
81.07056	33.1
83.04494	2.1
83.04981	35.3
83.08615	6.5
85.06504	2.7
87.04459	4.3
88.30334	0.9
89.02390	3.8
89.06043	7.1
91.05479	12.2
93.07038	20.8
95.04945	1.4
95.08610	48.6
95.75661	1.0
97.10143	1.7
99.04425	1.5
101.06018	13.0
105.07031	38.3
107.08592	35.5
109.09389	1.3
109.10156	45.2
111.04446	48.1
112.04762	1.0
113.06016	6.5
115.05359	1.0
117.06999	1.6
119.08582	38.6
121.10150	36.4
122.10420	1.1
123.11700	18.9
126.09135	4.4
127.07537	4.6
127.09500	9.3
129.05486	9.3
129.06979	1.4
131.08511	2.6
133.10135	30.2
135.11699	11.8
137.05991	2.1
137.13255	2.7
143.08553	1.4
145.10132	3.1
147.11690	38.5
149.13275	2.2
155.07033	59.9
156.07367	1.4
157.10190	1.1
159.11691	3.3
161.05983	1.2
161.09692	1.3
161.13263	47.4
173.08109	33.8
173.13289	2.8
175.11378	1.2
175.14824	11.7
189.16402	7.2
199.09654	4.1
199.11578	16.5
199.14767	1.9
217.10680	29.1
217.12645	28.3
217.15939	7.4
217.19513	100.0
218.19785	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	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03941	2.6
55.01866	1.2
55.05508	38.5
57.07066	2.8
59.04986	2.1
65.03926	1.7
67.05505	26.0
69.03427	3.0
69.07065	16.3
69.79230	5.8
69.79600	2.0
70.06600	1.7
71.04975	3.3
73.02875	1.6
79.05492	10.5
81.07049	33.8
83.04495	1.9
83.04977	37.1
83.08617	7.9
84.04506	1.3
84.05334	1.3
84.23362	1.2
85.06533	2.1
87.04460	5.8
87.58743	1.1
89.02380	3.9
89.06042	7.0
91.05470	14.2
93.07045	23.6
95.04977	2.0
95.08606	54.2
96.96217	1.4
97.10169	3.3
98.20793	1.5
99.04458	4.1
101.06013	16.3
105.07030	39.3
107.08589	35.9
109.10154	52.4
111.04438	59.6
112.04755	1.8
113.06021	6.8
117.06966	3.4
119.08575	42.9
121.10143	31.3
123.10835	1.5
123.11715	21.5
126.09154	3.7
127.07562	9.8
127.09489	6.6
129.05482	10.2
129.06999	2.7
131.08548	3.5
133.10130	32.7
135.11687	13.4
137.05954	1.8
137.13242	2.6
142.07744	1.6
143.08539	1.8
145.10114	4.7
147.08034	1.6
147.11679	40.7
149.13225	2.8
151.63820	1.1
155.07028	79.2
157.10118	3.3
159.11691	5.7
161.13251	49.8
162.13620	1.4
171.11711	1.8
173.08095	47.1
173.13191	2.4
175.14838	12.1
189.16393	5.8
199.09639	5.6
199.11559	13.7
199.14732	1.3
217.08778	1.1
217.10680	36.7
217.12614	21.6
217.16263	11.0
217.19507	100.0
218.19664	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	215.139
Annotation	H-Pro-Val-OH
Peak:m/z	Relative Intensity
51.26667	0.4
52.35793	0.4
56.05040	0.8
58.06321	0.6
58.06594	8.8
59.07375	1.2
60.08152	3.5
68.05009	1.0
68.29017	0.5
69.07056	0.5
70.06594	11.6
71.06870	0.5
71.47896	0.8
72.08154	29.4
76.02948	0.5
84.04500	0.5
84.08106	2.4
86.06053	2.3
86.09685	1.3
95.34313	0.5
96.04446	0.5
98.06046	3.6
100.05260	0.4
100.07616	2.4
112.07608	4.7
114.05542	2.4
118.08619	1.8
124.02103	0.6
128.07072	4.2
135.58609	0.5
138.05446	0.7
141.04797	0.9
156.06522	3.5
169.09651	0.6
169.13358	12.8
170.02698	0.7
187.05298	1.6
197.09209	0.7
198.30374	0.5
215.01646	4.5
215.05112	2.3
215.13901	100.0
216.14287	1.7
232.53424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0683
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
52.76563	3.1
61.63184	3.0
68.79239	3.4
70.75786	5.2
70.76128	7.3
75.72021	3.6
110.46748	3.7
122.91579	3.5
159.32758	3.1
166.86652	4.2
217.06841	100.0
227.54697	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	214.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45747	3.4
58.99850	16.0
70.50130	4.4
70.50493	8.5
70.99860	43.1
77.00917	30.9
79.35771	3.8
82.01434	10.2
82.99848	11.0
83.14812	3.6
89.00896	40.0
95.01923	12.9
100.02472	12.5
101.00879	77.1
103.35327	4.1
107.01890	4.3
117.00373	6.2
118.03509	6.3
119.01934	50.7
124.02444	37.3
125.57455	3.7
135.01413	27.6
136.23962	3.4
142.02449	6.5
142.03500	100.0
144.99864	8.0
147.01367	10.0
150.99178	3.6
153.02461	10.3
158.89500	3.2
160.04485	4.3
163.00891	13.6
170.03006	9.6
186.02480	12.6
191.00430	22.1
209.01448	5.4
214.00522	4.8
215.05191	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	214.253
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
51.47491	1.8
55.94579	1.6
56.96555	4.4
57.07077	64.8
61.43077	1.4
68.30116	1.5
69.07043	2.1
70.06580	4.2
71.04971	2.1
71.08635	44.9
71.50001	2.3
72.93771	2.3
74.85580	1.6
79.61050	1.6
81.07079	1.7
82.06574	2.0
83.08636	2.1
83.61148	1.9
84.08147	2.1
85.10195	24.4
85.75677	1.4
90.94817	2.7
91.05487	2.1
105.07045	2.6
112.07583	2.5
132.95804	2.3
136.07596	1.8
140.07047	2.2
149.94058	1.8
149.96097	2.0
150.96852	2.2
167.97215	2.7
168.06548	2.6
168.10226	2.3
196.09709	3.4
214.04961	1.9
214.06914	2.0
214.08835	3.0
214.10631	10.1
214.14287	2.7
214.21841	4.4
214.25301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	7.3
59.85730	4.1
60.08148	3.9
70.06588	8.8
70.54334	10.8
78.86249	4.5
85.52001	3.5
87.06152	3.5
91.00616	3.5
95.01373	3.5
98.20892	4.4
112.07587	4.8
130.04442	3.8
169.13362	23.1
215.01639	100.0
215.13913	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1852
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.73664	1.6
53.03948	3.1
53.31996	1.5
55.01872	4.9
55.05514	46.2
56.05024	1.7
56.96564	2.2
57.03437	5.2
57.07082	10.4
59.04998	6.5
67.05506	23.7
69.03410	3.6
69.07072	94.1
70.06602	8.7
71.04990	14.4
71.08643	2.6
79.05491	19.7
81.03414	5.1
81.07061	64.1
83.04974	10.1
83.08621	28.3
85.02922	3.2
85.06548	32.0
88.07647	4.5
91.05464	9.7
93.07046	39.6
95.04963	4.8
95.08612	100.0
96.08962	3.7
97.02898	3.2
97.06559	10.7
97.10168	22.0
98.97555	2.6
99.04436	3.0
99.08101	26.4
105.07018	8.6
107.04954	5.2
107.08601	58.1
109.02901	2.0
109.06543	1.6
109.10162	37.2
110.10497	2.2
111.02765	1.7
111.04398	1.8
111.08085	8.1
111.11723	7.9
113.09638	10.1
115.05502	1.7
119.06095	1.9
119.08575	5.0
121.10151	77.0
123.08118	2.4
123.11699	13.2
125.05998	5.9
125.09615	9.2
127.03940	3.6
128.06223	3.5
129.07031	2.6
130.96312	2.2
131.08582	3.1
133.10162	3.0
135.08043	1.7
135.11700	42.1
137.13260	37.1
137.18271	1.5
139.11195	12.1
141.06987	3.5
142.07791	4.8
143.08586	4.9
149.09557	2.2
149.13251	10.5
149.96095	1.7
151.14845	6.3
153.05527	1.8
153.07010	1.6
153.08992	1.8
153.12752	9.4
154.08678	1.9
156.09366	2.8
157.06459	1.9
157.10129	5.0
163.07535	3.0
167.07143	7.3
167.08424	1.7
169.06656	1.6
171.11754	4.5
177.09148	1.6
177.16411	69.2
185.07135	4.3
185.09671	3.3
185.13278	1.9
195.08157	3.0
195.11740	1.7
195.17508	13.4
213.05548	9.2
213.08904	10.8
213.12744	6.4
213.16350	7.1
213.18488	5.1
214.10785	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03943	1.7
55.01036	1.1
55.01859	3.6
55.05510	13.3
57.03421	1.1
57.07051	2.3
59.05003	1.4
60.03884	1.1
67.05517	5.7
67.36626	1.0
69.03415	3.4
69.07066	19.6
70.06579	4.1
71.00984	2.6
71.04998	5.7
72.08140	2.3
73.73617	1.0
79.05499	8.5
81.03416	1.4
81.07063	18.0
83.04971	2.2
83.08620	12.4
85.02884	2.1
85.06552	6.0
86.09689	3.7
88.07610	2.0
91.05471	5.1
93.07047	17.4
94.29774	0.9
95.08611	40.0
96.07279	0.9
97.06523	1.4
97.10175	8.5
98.97563	1.4
99.08093	33.2
105.07021	4.0
107.07887	2.2
107.08597	44.9
109.10163	10.9
111.08080	18.0
111.11697	1.2
111.46159	1.0
113.09637	3.9
114.84007	1.0
119.08551	1.2
120.17363	1.1
121.10146	61.6
123.04440	1.6
123.11730	1.9
125.05998	1.9
125.09607	7.6
126.26574	1.0
127.03876	1.2
129.06993	1.4
132.15656	1.0
135.11700	11.6
137.13252	10.5
139.11153	1.9
142.07825	1.3
143.08540	1.8
149.05933	1.2
149.09653	2.0
149.13246	3.5
153.12663	1.6
157.10115	1.9
171.11716	1.5
177.09166	1.2
177.16391	100.0
185.07124	1.5
189.92030	1.1
195.13780	1.3
195.17456	13.0
213.12544	2.2
213.16440	2.4
213.18469	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	213.091
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03940	1.0
55.01867	1.2
55.05511	1.5
56.96563	0.8
57.03423	0.6
61.02943	0.6
65.03949	3.0
67.05514	1.0
69.03431	2.1
69.07066	1.2
70.06592	13.4
70.55563	0.5
70.94238	0.9
71.06905	0.7
71.48563	0.5
72.08163	2.8
78.68651	0.5
79.05495	3.2
80.05813	0.5
81.03416	1.0
81.07067	0.5
83.04994	0.6
84.04469	0.5
84.08148	1.0
85.02915	0.8
85.06531	0.5
85.59409	0.5
86.09709	3.1
86.51801	0.5
88.07634	1.4
89.03896	0.5
89.30943	0.5
91.05483	94.9
92.05820	1.1
93.07057	1.0
93.10984	0.5
95.04981	5.1
97.02897	0.7
97.06532	1.1
98.06885	0.6
99.04454	0.9
100.02183	0.7
104.98447	0.5
105.07042	0.9
107.04953	13.1
107.08604	1.7
109.06521	0.8
110.03668	1.5
111.04431	1.3
115.05527	0.6
116.07102	2.7
119.04944	100.0
119.08602	1.2
120.05745	8.5
121.02888	2.4
121.06487	1.4
121.10144	0.9
122.03680	0.6
124.11306	0.5
125.05993	5.1
127.03899	1.5
128.06267	0.9
130.96301	2.4
131.08508	0.6
133.02896	0.6
135.04408	2.8
135.08054	0.5
137.05992	0.6
141.06996	0.7
142.07765	0.5
144.05714	1.0
145.06502	0.6
148.97379	3.5
149.05962	1.9
149.09615	0.9
150.03207	0.7
151.03908	7.2
151.05002	0.8
152.06184	6.2
153.05507	1.7
153.06749	0.7
156.07657	0.5
157.06534	2.8
163.03882	0.9
165.05515	3.1
165.06995	6.1
165.09157	0.9
166.07724	2.8
167.05528	1.0
167.07060	3.7
167.08563	9.4
169.06485	0.9
170.07220	1.0
170.11798	2.8
170.91414	0.7
171.08066	1.1
176.06189	2.7
177.05510	1.4
177.06995	6.0
177.09097	0.9
181.06516	1.0
185.07195	0.7
185.09618	1.2
188.92485	1.8
189.97581	1.5
194.07329	1.1
195.04924	0.7
195.06488	1.8
195.08055	7.0
197.05975	0.7
198.06764	0.9
207.98808	0.6
213.05580	1.8
213.09102	20.1
213.12431	2.0
213.16002	0.6
214.10744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03946	3.5
55.01876	14.4
55.05513	68.1
57.03428	2.2
57.07074	2.5
59.04993	2.5
67.05183	2.0
67.05508	26.4
68.99757	1.3
69.03434	12.4
69.07078	15.5
70.06587	3.0
70.83971	2.3
70.84277	1.8
71.04995	68.8
79.05495	20.0
81.03394	4.4
81.07062	33.3
83.04964	6.0
83.08624	49.3
85.06538	7.8
87.04465	10.4
88.07615	1.7
91.05470	8.8
93.07048	18.3
95.08601	10.1
97.06535	90.4
97.10175	60.9
105.07014	4.7
107.04944	4.1
107.08607	23.0
109.06518	2.7
109.10153	17.6
111.08070	3.3
117.07013	7.4
119.04920	1.7
119.08549	2.1
121.06477	1.8
121.10128	5.4
122.65485	1.4
125.09630	37.8
128.06215	1.7
129.06961	2.4
130.96312	1.4
131.08580	7.5
133.10094	4.1
135.08113	8.0
135.11685	4.5
141.06938	1.4
141.61551	1.6
146.98425	1.8
148.97379	2.4
149.09546	2.3
149.13239	6.1
157.10124	3.8
159.11661	6.4
161.05821	1.4
163.01772	1.4
167.07080	2.7
167.14287	2.1
168.08063	5.3
169.08456	1.8
169.10034	1.6
171.10117	2.0
171.11589	3.1
177.12740	7.9
183.08144	1.5
189.11224	5.9
195.06564	2.0
195.13808	41.7
213.05518	2.7
213.09146	3.0
213.14830	100.0
215.36464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01876	1.1
55.05504	1.7
56.05025	0.4
56.96560	1.1
57.03439	0.6
57.07066	0.4
60.11644	0.4
65.03935	3.8
67.05497	1.0
68.99799	0.7
69.03419	1.4
69.07069	1.2
70.06598	8.7
71.05001	0.5
71.48217	0.5
72.04493	0.3
72.08154	1.6
79.01866	0.3
79.05490	2.0
81.03425	1.3
81.07059	1.7
83.05004	1.0
83.08620	0.5
84.08112	0.5
85.02937	0.6
86.09708	5.0
87.05597	0.5
88.07621	1.6
91.05494	2.6
93.07041	2.1
95.04984	2.9
95.08602	1.2
97.02876	0.5
97.06551	0.9
98.06071	0.4
98.09676	0.7
98.97588	0.4
99.04449	0.7
99.05536	0.6
105.07052	2.4
107.04958	2.2
107.08582	2.6
108.08112	1.0
109.02886	1.4
109.06523	0.7
110.03658	0.6
110.07178	1.1
111.04429	2.6
111.08121	0.7
112.82722	0.4
116.07111	1.3
119.04986	2.0
119.08588	2.5
121.02872	100.0
121.03895	3.5
121.06503	1.2
121.10139	2.3
122.03228	1.1
123.04397	0.7
123.08102	0.6
125.06006	1.5
125.09698	0.4
127.03895	1.6
128.06235	0.4
128.07108	0.5
129.07031	0.9
130.96288	1.7
131.08595	1.7
135.04422	1.1
135.08067	0.9
135.54134	0.3
137.06030	0.4
137.09654	0.5
138.09181	0.5
138.82455	0.4
139.03925	0.9
139.07523	0.5
140.04770	0.4
140.10654	0.4
141.05527	0.6
143.08565	0.4
147.08044	1.1
148.97337	2.4
149.09633	2.8
151.03888	1.6
153.05444	1.3
153.09009	0.5
163.03926	0.6
165.05507	0.8
165.06955	0.4
165.09102	0.9
166.89272	0.4
167.03349	0.6
167.07065	2.2
167.08325	0.4
167.10654	1.0
170.11775	0.6
177.09099	1.9
181.04968	0.4
185.07159	1.0
189.97714	0.7
195.06531	2.3
195.08231	0.7
195.10196	1.6
200.78828	0.4
207.98679	0.5
213.05573	1.2
213.09120	0.9
213.12416	1.4
213.16176	0.8
214.05043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90423	0.4
51.02374	0.6
52.33246	0.4
53.78435	0.4
55.01862	0.6
55.05504	1.5
56.05837	0.5
56.96540	0.4
57.03423	0.6
58.03769	0.5
62.07172	0.4
67.05502	1.3
68.05846	0.4
69.03416	0.7
69.07054	1.8
70.06574	1.0
71.04996	0.9
71.07981	0.5
71.08314	0.8
74.37108	0.4
74.41814	0.4
79.05087	0.4
79.05499	5.6
80.05000	0.6
81.03403	1.5
81.07056	21.4
82.03751	0.8
82.07385	1.3
83.04963	1.3
83.08617	0.6
89.66940	0.4
91.05482	1.0
92.05815	0.8
93.07054	0.9
94.07426	0.7
95.04963	0.8
95.08614	2.5
96.08939	0.5
97.02837	0.6
105.07023	0.6
106.06526	1.5
106.07265	0.6
107.08562	0.7
109.10185	0.7
109.91273	0.4
110.06011	0.8
110.10480	0.7
115.05489	0.6
117.06998	0.6
119.08569	0.7
120.08918	0.8
123.07962	0.4
128.06229	2.1
129.06076	0.4
129.07016	8.0
130.06537	15.2
130.07504	0.8
132.08073	1.9
136.07626	0.7
143.07303	5.6
143.08549	2.0
144.08090	30.1
145.08398	0.4
148.12010	0.5
153.06961	2.4
154.06520	5.3
154.07686	0.6
155.06117	0.7
155.07298	7.2
156.06793	0.8
156.08095	15.9
157.08896	3.2
157.09981	0.6
158.09659	1.8
166.08543	0.7
167.07220	1.4
168.08101	33.6
169.08875	25.1
170.09647	37.5
171.10152	0.8
176.34106	0.4
180.06564	0.5
182.09653	9.6
183.08862	0.8
183.10439	10.1
184.09744	0.5
184.11244	1.4
196.11218	1.3
197.11964	2.9
210.12798	0.6
212.14351	100.0
213.14661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
54.19714	0.4
55.01876	0.8
56.96564	1.2
57.03442	1.1
65.03956	1.0
65.78401	0.4
67.05511	0.7
68.16182	0.4
69.03440	1.3
69.07056	0.4
69.72327	2.4
70.06596	4.5
71.04987	0.8
73.02935	0.6
76.38979	0.4
79.05488	0.8
80.05028	1.0
81.03421	1.9
83.06151	0.6
84.04529	0.7
84.08135	2.6
85.02896	2.1
91.05496	1.9
93.03441	2.5
93.07054	0.5
94.06551	0.6
95.04983	0.8
95.06106	0.4
96.04527	0.6
97.02882	0.9
98.06068	0.6
98.97586	1.7
100.05278	0.4
101.00869	0.8
106.06575	1.4
107.04942	0.8
108.04490	1.9
109.02893	2.5
110.07168	0.5
111.04446	1.6
111.09161	0.6
114.05517	0.4
116.07101	1.0
116.98592	0.6
119.01825	0.8
119.04931	0.9
120.08140	1.4
121.06491	2.5
122.06017	0.8
123.06821	1.2
124.07591	1.9
125.06006	3.8
126.02599	0.6
128.98628	0.4
131.00204	0.5
131.01840	0.9
133.03357	0.6
133.05249	0.5
134.06015	18.3
135.03043	0.8
136.07596	3.8
137.08362	2.2
138.05505	1.2
138.09140	1.2
143.01865	0.7
145.03445	0.4
148.07568	6.5
149.01164	0.7
149.05984	7.9
150.05443	0.5
152.03403	1.4
152.07068	29.0
153.04311	0.8
153.05460	7.0
153.07423	0.6
158.06697	0.5
159.47968	0.4
161.02960	0.9
166.03522	0.5
166.08636	37.6
170.91501	0.5
172.53340	0.4
176.07082	7.0
184.04494	1.2
184.06038	0.5
184.07919	0.4
188.92375	0.5
194.08127	100.0
195.06500	3.5
195.08444	1.7
212.09172	49.5
212.12584	1.3
212.16454	1.7
213.09450	0.6
213.12321	0.7
230.08745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.4
56.89899	1.4
57.03419	2.1
57.07074	2.7
59.04985	2.5
65.09039	1.4
67.05504	26.8
69.03424	11.9
69.07071	17.7
71.04955	7.7
74.14734	1.3
78.29893	1.5
79.05487	4.7
81.07052	31.9
83.04981	10.6
83.08620	10.5
85.06526	6.4
91.05469	5.7
93.07043	10.7
95.04977	2.2
95.08611	41.6
97.06521	1.8
97.10184	3.2
99.08072	5.3
105.05091	1.5
105.07039	8.0
107.08590	25.8
109.06506	13.7
109.10154	100.0
111.08056	4.6
119.08578	24.6
119.84692	1.3
121.10143	14.7
123.08057	15.5
123.11691	12.8
125.09611	1.8
133.10129	19.9
135.11687	68.9
137.09605	16.7
149.13255	5.8
151.11172	11.7
151.14824	10.1
153.12735	3.0
165.16359	2.7
175.14816	22.2
193.15874	19.6
195.29039	1.4
198.64484	1.6
211.16927	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	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.45724	0.9
53.03947	2.5
54.38485	1.0
55.01860	2.1
55.05272	1.6
55.05515	20.5
56.96557	2.1
57.03432	9.0
57.07081	6.1
59.05000	2.3
63.66992	0.9
67.05506	36.3
69.03081	1.4
69.03429	14.7
69.07069	21.3
70.06579	1.9
71.04997	7.7
71.08609	1.3
71.49784	1.4
79.05488	12.8
81.03419	8.8
81.07059	42.5
83.04987	20.8
83.08623	14.5
85.06528	5.3
91.05476	14.9
91.96272	0.9
93.07053	20.0
95.04984	11.1
95.08611	50.4
97.02859	1.5
97.06534	5.6
97.10165	4.0
97.99149	1.0
99.04462	3.0
99.08092	5.6
101.05964	1.1
105.07040	16.6
107.04929	1.2
107.08597	29.8
109.06527	18.4
109.10159	100.0
110.06849	2.1
110.10513	1.5
111.07307	1.5
111.08068	8.8
113.05997	1.2
113.09664	2.3
117.07024	1.7
119.04974	1.3
119.08582	31.2
121.06500	2.8
121.10143	15.6
123.04424	3.0
123.08072	21.4
123.11706	14.6
125.09603	6.0
127.07542	0.9
127.11174	1.6
127.64686	0.9
129.06992	2.7
131.08574	2.7
133.10132	24.3
135.11696	70.7
136.12059	1.0
137.05989	1.5
137.09625	20.2
137.10628	0.7
137.13284	1.3
139.11186	6.6
143.08592	1.5
145.10106	1.2
145.96594	1.7
147.11693	9.3
149.06015	1.3
149.09628	3.0
149.13257	7.1
151.03899	1.7
151.07500	3.0
151.11198	13.2
151.14825	11.5
153.12746	3.1
155.08554	2.5
155.10710	1.4
157.10127	2.6
158.10919	1.1
163.97755	3.2
165.06946	1.6
165.12758	3.8
165.16412	2.7
167.07063	12.6
167.08502	1.6
167.10672	3.8
168.09343	1.6
169.08887	1.1
169.10127	4.0
169.12242	1.0
175.11156	3.6
175.14832	23.5
179.07042	3.3
181.08618	1.8
183.08051	1.3
193.12260	6.4
193.15913	18.4
193.17474	1.8
194.16350	1.0
205.98756	3.8
211.07536	2.2
211.10980	2.6
211.13185	2.6
211.14842	5.9
211.16908	4.1
212.14464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.08772	1.2
53.03957	1.1
55.05296	1.3
55.05515	12.0
55.25459	1.3
57.07084	3.3
64.70524	1.2
67.05506	27.0
69.03429	11.4
69.07066	16.4
71.04979	3.7
71.29620	1.9
79.05485	4.9
81.07057	24.4
81.61483	1.2
83.04992	11.8
83.08615	6.9
85.06531	3.8
91.05467	3.1
93.07033	12.5
95.05014	1.5
95.08609	37.5
97.06555	2.1
97.10164	1.9
99.08102	4.6
105.07049	8.3
107.08593	28.9
109.06520	12.0
109.10154	100.0
111.08074	2.8
113.09644	1.5
119.08588	27.0
121.10151	11.2
123.08064	15.6
123.11709	9.1
125.09641	1.5
126.63817	1.2
133.10133	19.5
135.11694	66.3
137.09627	13.8
139.11285	2.6
149.13297	4.2
151.11200	8.9
151.14825	10.5
153.12759	2.6
165.16464	2.1
175.14824	21.1
193.15878	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01863	5.0
55.05513	22.6
57.03421	6.3
57.07073	10.9
59.04997	4.9
63.29530	1.5
65.87219	1.5
66.50005	1.6
67.05505	40.6
68.05833	1.4
69.03423	10.2
69.06734	2.3
69.07076	30.1
69.13814	3.2
69.14225	14.0
71.04996	10.6
71.08630	2.7
76.79359	1.6
79.05500	14.0
79.56499	1.7
81.03419	4.0
81.07059	54.1
83.04974	14.7
83.08620	13.1
85.02898	4.6
85.06548	9.8
91.05476	12.6
93.07050	27.0
95.04954	9.7
95.08613	66.4
97.06526	8.8
97.10149	5.5
98.21558	3.8
99.04453	3.5
99.08071	6.3
103.05436	2.0
105.07026	17.1
106.65424	1.5
107.08604	37.0
109.06530	17.5
109.10161	100.0
110.10426	1.7
111.08067	8.1
111.11741	1.6
111.41975	1.5
113.06010	2.9
117.06972	2.1
119.07811	2.9
119.08589	36.0
121.06413	2.3
121.10135	15.0
123.08089	15.7
123.11720	20.3
125.09678	8.6
129.07002	2.0
133.10135	22.5
135.11696	70.8
137.05963	3.3
137.09645	17.1
139.11188	4.4
141.09116	2.0
147.11673	12.0
149.13269	6.7
151.11200	9.5
151.14821	11.3
153.12759	6.1
155.10640	2.5
157.10139	3.7
165.12817	2.8
165.16347	5.8
167.07047	5.6
175.11111	2.7
175.14832	24.1
183.11668	1.7
193.12286	2.6
193.15875	25.4
211.11403	2.6
211.14984	2.0
211.16908	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.58438	1.4
51.72858	1.6
55.05519	16.3
57.03428	6.7
57.07062	5.3
59.04992	3.6
67.05506	37.1
69.03441	8.8
69.07076	22.6
69.90770	7.0
71.05003	8.3
79.05499	11.0
79.61963	1.6
81.07058	37.8
83.04991	11.2
83.08628	12.1
85.06533	4.9
91.05478	5.2
93.07055	20.5
95.04968	5.3
95.08613	87.3
95.51096	1.8
97.06509	3.5
97.10174	3.6
99.04491	2.4
99.08067	4.3
105.07039	10.8
107.08597	32.6
109.06497	10.2
109.10162	100.0
111.08069	4.1
113.09625	2.7
115.07588	3.1
119.08593	29.1
121.10159	18.1
123.04396	2.8
123.08099	12.2
123.11698	14.5
125.09669	7.4
133.10130	25.2
135.11702	70.4
137.09647	17.6
139.11176	5.7
147.11719	2.2
149.13271	8.3
151.07672	2.0
151.11145	9.2
151.14845	13.1
153.12729	4.6
163.14824	6.6
165.16432	2.6
165.64661	1.9
167.07028	3.7
167.10655	2.2
175.14824	28.0
179.06960	2.1
179.95554	1.6
188.92291	1.8
193.15892	24.6
211.16924	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03929	2.6
55.01880	14.3
55.05512	18.9
57.03443	8.6
65.03912	1.5
67.05508	42.8
69.03426	3.3
69.06737	1.4
69.07072	20.0
69.66708	2.6
69.67115	6.1
71.04993	7.1
72.89857	1.1
75.33857	1.0
79.05495	30.3
79.06877	1.2
81.03426	7.1
81.07058	100.0
83.04984	12.5
83.08614	11.1
85.02891	3.1
85.06528	6.1
91.05484	38.7
93.07044	18.7
95.04995	6.9
95.08605	24.2
97.06528	8.9
97.10157	1.9
97.50967	1.2
98.16267	1.3
98.20956	3.8
98.21520	1.3
99.04469	2.2
99.08080	3.6
105.07040	45.5
107.05001	2.2
107.08609	11.4
109.06532	10.0
109.10158	9.6
111.08054	3.8
113.87985	1.3
117.07014	2.1
118.29582	1.4
119.08585	38.6
121.10146	29.8
123.08070	8.8
123.11720	24.2
124.38216	1.1
125.05988	1.3
125.09634	3.8
127.07595	2.2
127.11118	1.2
129.06981	4.4
131.08580	4.0
133.10135	13.8
135.11667	4.2
137.09607	2.1
139.11166	2.8
142.07788	1.8
145.10059	1.6
145.96658	1.6
147.07994	1.6
147.11700	58.9
149.09608	4.3
151.11053	1.8
157.10135	7.3
165.12770	11.8
167.07042	3.5
167.10649	6.0
169.10167	1.7
175.11182	8.0
175.14766	2.3
179.07114	2.1
193.12234	6.8
196.67741	1.3
211.07608	1.5
211.11375	1.4
211.13239	4.5
211.14972	2.1
211.16861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03935	7.5
55.01860	13.0
55.05518	20.6
57.03436	46.7
67.05505	55.3
69.03417	6.8
69.07072	21.2
71.04982	9.9
71.38229	8.8
79.05489	47.6
79.97584	4.0
81.03391	11.5
81.06590	7.5
81.07056	100.0
83.04977	16.3
83.08591	8.3
85.06538	7.6
91.05479	77.8
93.07045	40.0
95.04949	20.6
95.08601	40.4
97.06530	29.9
99.04491	4.3
99.08092	6.8
105.07030	50.3
107.04977	7.1
107.08584	28.1
109.06501	24.7
109.10148	17.4
111.08047	5.0
113.06004	3.8
119.08582	59.3
121.06465	5.5
121.10139	35.2
123.08052	18.2
123.11690	25.9
125.09583	12.8
129.06998	15.4
131.08546	20.0
133.10127	50.7
135.11723	4.7
137.09554	5.5
139.11195	14.7
142.07761	7.4
147.07991	4.7
147.11684	98.4
149.09584	17.6
151.07542	5.1
151.11185	4.5
155.03630	4.7
157.10100	26.0
165.12735	24.7
167.06993	7.1
167.10620	16.8
175.11188	33.1
179.86995	4.4
181.87221	4.1
193.12190	28.0
205.98634	4.5
211.11488	5.2
211.13318	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03939	6.0
55.01869	2.8
55.05514	21.8
56.96564	4.2
57.03440	100.0
57.07071	3.6
59.04989	2.3
65.03931	3.4
67.05190	2.8
67.05509	39.0
69.03418	5.8
69.07066	20.8
70.83910	3.8
70.84277	3.7
71.04985	9.4
71.08605	2.2
79.05499	26.8
81.03425	15.9
81.07059	47.3
83.04995	11.0
83.08617	10.5
85.06551	4.0
91.05489	30.1
91.59583	2.0
93.07045	55.0
95.04969	23.1
95.08616	46.0
97.06536	30.6
97.10172	3.2
98.98360	2.1
99.08151	2.8
103.05473	2.1
105.07029	24.4
107.04939	2.7
107.08604	25.4
109.06534	16.0
109.10163	32.4
111.08075	8.9
117.06985	3.6
119.08581	41.8
121.06527	4.9
121.10149	26.1
123.04440	4.4
123.08081	34.2
123.11714	9.4
125.05997	2.4
125.09634	34.5
129.06967	3.5
131.08588	6.5
133.06441	2.7
133.10130	7.1
135.08025	2.4
135.11687	4.2
137.06003	2.7
137.09615	15.3
137.13257	6.8
139.11179	34.6
147.08023	3.2
147.11693	31.0
149.09631	28.5
151.07520	5.9
151.11180	4.9
157.10136	4.1
163.97781	3.0
165.12796	11.1
167.07024	4.3
167.10678	48.6
168.09212	3.1
169.10201	2.1
169.12190	3.1
175.11211	12.2
175.14813	5.5
181.10033	2.0
182.50211	1.9
193.12257	20.1
205.98772	4.5
211.07466	2.3
211.13150	9.3
211.14900	6.2
211.16708	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	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01885	0.4
60.04528	0.4
67.05511	0.8
67.11047	0.3
69.07074	3.0
69.54794	1.9
70.06609	0.5
72.04518	1.2
74.06071	0.5
79.05500	1.5
80.05017	0.4
81.03459	0.4
83.75997	0.3
84.04544	0.3
84.08132	0.6
91.05484	4.5
93.07038	0.8
95.04985	0.5
103.05465	5.7
105.06317	0.4
105.07032	7.6
105.07623	0.3
107.04953	1.9
112.07620	0.3
115.05431	0.5
117.05787	1.6
117.07016	2.9
118.06545	3.9
119.07323	6.7
119.08613	0.9
120.08118	9.0
128.06215	1.2
129.07010	5.0
130.06500	0.5
131.04916	1.4
131.07304	1.3
136.07571	1.0
144.08112	1.7
146.09648	6.8
150.05498	0.3
164.07115	1.9
164.10715	100.0
165.05484	1.0
165.11052	1.1
174.09073	0.3
174.61220	0.3
178.05560	0.4
182.08138	1.8
192.10210	1.0
205.98643	0.4
210.07631	0.8
210.11258	11.9
233.39644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01851	0.3
55.05513	0.4
55.86290	0.3
56.05047	0.3
56.27587	0.3
58.60041	0.3
60.04530	0.7
62.06099	0.5
67.05515	0.9
67.08791	0.3
68.05035	0.3
69.07069	3.9
69.54812	2.1
70.02966	0.4
70.06609	0.7
70.95861	0.6
71.05002	0.3
71.57298	0.3
72.04529	1.3
72.93804	0.3
79.05502	2.5
80.05013	0.7
81.03429	0.7
84.08149	1.0
85.02898	0.5
91.05480	4.3
93.07056	1.2
95.04959	0.7
97.02907	0.5
97.06537	0.7
98.21488	0.6
103.05465	6.0
104.39260	0.4
105.07036	6.5
105.07698	0.5
107.04945	2.5
109.02834	0.4
117.05774	1.3
117.07006	3.6
118.05075	0.4
118.06539	3.7
119.07333	5.7
119.08595	0.7
120.08115	8.5
120.08957	0.5
121.06483	0.5
122.06117	0.4
128.06235	0.9
129.06999	5.4
130.06526	0.7
131.04922	1.6
131.07324	1.2
136.03824	0.4
136.07599	1.3
144.08081	1.5
146.05998	0.6
146.09641	8.1
147.04431	0.8
154.08617	0.4
164.07086	2.7
164.10715	100.0
165.05489	3.8
165.06776	0.5
165.11073	1.2
167.07051	0.4
181.98930	0.3
182.08119	2.5
192.10159	1.7
205.98662	0.4
210.07787	1.4
210.11246	12.8
210.15451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.2
55.01879	1.8
55.05508	11.1
57.03433	1.1
57.07065	2.6
57.17471	0.8
59.04992	3.2
67.05507	11.3
69.03430	13.9
69.07072	14.3
70.44899	3.3
71.04995	10.9
79.05492	9.2
79.69280	0.9
81.03389	1.5
81.07058	19.1
83.04980	15.8
83.08619	6.6
83.46242	0.9
85.06538	2.5
91.05471	10.0
93.07046	13.1
95.04977	12.0
95.08604	28.5
97.06535	8.8
97.10141	1.4
99.04467	3.1
99.08089	3.7
103.05453	1.7
105.07030	10.9
106.04174	2.4
107.04930	2.2
107.08591	41.1
109.06512	22.3
109.10151	18.1
111.08063	4.9
113.09657	2.2
115.05408	0.9
117.07066	1.1
119.08541	4.8
121.06502	9.2
121.10146	35.9
123.08082	7.2
123.11698	6.1
125.05983	1.6
125.09628	15.4
131.08589	6.6
133.10127	17.8
135.08060	16.1
135.11681	7.2
137.09612	3.9
139.07454	1.1
139.11154	6.3
143.08537	2.3
145.10118	3.3
147.11696	9.1
149.05994	2.6
149.09608	12.7
149.13258	20.0
151.11179	100.0
153.09119	6.0
158.10963	4.6
161.09489	1.1
163.11205	1.3
163.14812	8.3
165.12772	5.2
167.10619	1.1
167.14325	3.6
173.13237	17.1
191.14305	51.1
209.15378	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.17036	0.8
53.03946	1.7
55.05505	7.2
57.03439	1.2
57.07060	3.1
59.04992	2.0
67.05511	7.6
69.03432	13.0
69.07069	7.9
70.62141	1.0
70.62483	3.1
71.04980	3.1
79.05498	5.8
79.41230	0.9
81.03410	10.3
81.06599	1.2
81.07055	16.7
83.04980	10.5
83.08613	4.5
85.06531	2.0
91.05477	4.2
93.07058	9.1
95.04980	13.1
95.08610	17.0
97.06513	2.6
97.10132	1.2
99.04440	2.2
99.08091	2.3
103.05442	1.2
105.07042	9.3
106.04178	1.3
107.04948	1.1
107.08600	22.8
109.05824	1.2
109.06531	18.4
109.09608	0.9
109.10172	10.7
111.04455	1.2
111.08059	2.4
119.08579	8.2
121.06502	3.1
121.09337	1.8
121.10152	21.5
123.08067	14.4
123.11719	12.1
125.05994	2.5
125.09652	5.8
131.08578	2.9
133.10149	6.1
135.08061	7.2
135.11684	4.4
137.09628	5.4
137.13274	2.8
139.07594	1.5
139.11154	1.4
144.60129	1.1
145.10086	2.6
146.35835	1.0
147.11713	6.0
149.09604	13.2
149.13254	14.4
151.11188	37.7
153.09105	3.5
158.10945	1.4
163.14795	3.9
165.12758	100.0
167.14313	3.9
169.29126	0.9
173.13287	5.5
177.05469	1.7
191.14307	15.1
209.15375	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03957	1.9
54.63664	2.2
55.01856	2.7
55.05515	22.6
57.03423	4.7
57.07072	4.8
58.68142	2.5
59.04988	3.3
61.02921	2.6
67.05508	17.1
69.03423	10.1
69.07072	16.0
70.42544	1.9
70.42886	7.0
71.04979	7.6
77.78592	1.9
79.05499	17.1
81.04006	1.9
81.07053	29.2
83.01348	8.2
83.04986	17.1
83.08616	5.9
85.02879	1.9
85.06554	10.2
91.05486	16.8
93.07042	49.0
95.04964	16.8
95.08612	31.0
97.06527	13.9
97.10152	2.4
99.04455	5.3
99.08100	6.6
103.05465	2.2
105.07040	25.2
107.08591	100.0
109.06525	18.8
109.10159	30.3
111.08084	7.2
113.06020	1.7
113.09665	1.8
117.07042	2.5
119.08598	13.3
121.06490	5.5
121.09502	1.1
121.10143	49.3
123.08068	10.5
123.11701	8.0
125.09648	11.3
131.08583	14.5
133.10139	26.9
135.08052	10.0
135.11674	6.9
137.09607	5.7
139.07530	5.7
139.11179	6.0
145.10139	5.9
147.11705	10.7
149.09607	11.9
149.13263	81.1
151.11194	36.5
153.09103	9.0
161.13237	2.8
163.14842	14.9
163.92397	2.5
167.10725	3.6
167.14255	10.3
173.13274	18.8
175.52866	2.2
191.12717	2.8
191.14307	29.8
209.13498	4.0
209.15388	57.8
212.23158	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03939	2.8
55.01859	2.1
55.05515	78.9
57.03417	2.5
57.07055	1.9
58.23540	1.4
59.01621	1.4
59.04996	4.7
67.05502	6.1
69.03429	6.5
69.07072	7.8
70.01699	3.4
70.02091	2.3
70.17084	1.3
71.04987	3.0
78.69596	1.2
79.05492	6.8
81.07068	12.3
83.04986	100.0
83.08621	36.2
83.11570	1.3
85.06563	3.0
88.50809	1.2
91.05470	3.8
93.07051	16.6
93.19859	1.2
94.04260	1.6
95.04973	15.9
95.08633	7.6
97.06538	8.1
97.10164	8.7
98.21442	1.6
99.04447	2.8
99.08118	1.9
105.07072	6.6
107.08595	25.6
109.06528	19.6
109.10165	23.4
111.08082	10.2
112.08868	1.4
113.09702	2.1
119.08594	3.1
121.10146	37.9
123.11721	12.4
125.09615	11.2
131.26773	1.4
133.10158	8.8
135.08051	1.6
135.11708	2.0
149.09628	1.5
149.13278	9.8
151.11180	35.2
153.09146	7.7
163.14824	5.1
167.14326	72.9
173.13266	3.8
191.14278	6.3
209.15388	29.6
219.23170	1.5
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	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.51113	1.4
53.03948	2.0
55.05512	27.0
57.03421	2.9
57.07067	5.8
59.04993	2.9
64.68880	1.2
64.94370	1.3
67.05502	13.1
69.03419	5.1
69.07066	9.5
70.46151	3.4
70.46496	2.2
71.04982	5.7
79.05498	10.9
81.07059	20.0
83.04982	61.5
83.08622	10.1
85.06537	4.7
91.05463	8.3
93.06564	1.8
93.07059	17.8
95.04964	32.3
95.08603	15.3
97.06529	19.3
97.10149	3.9
99.04441	6.9
99.08092	2.9
105.07036	10.0
107.04979	1.6
107.08599	30.8
109.06519	100.0
109.10159	23.1
111.08065	9.5
119.08575	4.5
121.10152	30.6
123.08060	12.6
123.11705	3.8
125.09642	15.7
131.08551	7.9
133.10132	20.2
135.08060	16.1
135.11694	3.9
137.09541	2.3
139.07545	2.8
145.10042	1.7
147.11681	4.5
149.09631	12.5
149.13245	16.9
150.37253	1.4
151.11180	18.7
153.09103	24.2
163.07408	1.8
163.13136	1.2
163.14769	7.9
165.12743	2.0
167.14305	15.6
173.13293	10.4
191.14296	22.9
193.00449	1.2
199.84030	1.3
206.23984	1.6
209.15367	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	3.2
55.01885	5.0
55.05512	27.4
57.03426	7.6
57.07052	6.0
59.04980	6.2
62.19953	2.3
65.03933	4.1
67.05503	12.6
69.03412	10.5
69.06799	2.4
69.07074	25.8
70.22862	9.7
71.01353	2.5
71.04998	13.6
75.99896	2.7
79.05499	24.4
79.16550	2.3
81.07060	35.9
83.01350	30.1
83.04973	28.1
83.08621	13.2
83.36654	2.6
85.06528	11.3
91.05484	17.2
93.06475	3.8
93.07043	39.7
95.04976	59.0
95.08615	29.4
96.72354	2.2
97.06529	29.2
97.10141	3.1
99.04488	16.4
99.08092	31.9
101.05991	4.2
101.07471	2.4
105.07032	22.6
106.04164	3.9
107.04919	3.9
107.08606	56.8
109.06523	31.1
109.10173	28.6
111.04430	4.5
111.08068	17.8
117.07070	3.0
119.08577	8.9
121.06522	13.9
121.10147	42.4
123.08084	16.1
123.11721	9.1
125.05985	4.8
125.09644	30.3
130.52101	2.6
131.08568	18.7
133.10144	31.3
135.08076	21.2
135.11696	9.5
137.09636	17.2
139.07545	21.0
139.11206	9.4
145.10101	7.9
147.11673	8.2
149.05992	6.0
149.09628	68.0
149.13255	26.2
151.11177	39.1
153.09129	26.1
154.09821	3.0
158.10985	3.3
159.07993	3.2
162.93675	2.4
163.07545	9.6
163.14828	14.7
165.09108	5.9
165.12776	3.3
167.14304	8.3
171.01376	2.6
173.13272	23.7
177.05443	3.3
181.15906	9.1
191.10634	3.0
191.14307	49.9
209.08008	4.0
209.11668	4.2
209.15378	100.0
221.95682	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03958	2.2
55.01851	2.6
55.05513	78.8
57.03434	3.0
57.62454	1.3
59.05000	4.4
64.55001	1.3
67.05508	9.7
69.03423	6.6
69.07062	7.2
71.04979	1.8
79.05486	6.6
79.24142	1.4
81.07052	11.4
83.04983	100.0
83.08151	2.5
83.08621	37.2
85.06548	3.6
91.05488	4.9
93.07047	14.9
95.04974	15.3
95.08604	7.7
97.06532	11.0
97.10165	9.2
98.21542	3.3
99.04440	2.8
105.07009	4.2
107.08604	25.4
109.06522	13.8
109.10165	24.4
111.08095	14.4
112.08851	1.3
113.09645	2.0
119.08565	2.0
121.10145	39.3
121.89852	1.5
123.08059	3.0
123.11723	10.7
125.09644	15.1
133.10135	8.4
145.10213	1.6
147.11722	1.6
149.13283	7.4
151.11188	44.0
153.09103	5.2
163.14783	5.6
167.14317	83.5
191.14339	6.4
209.13518	2.2
209.15382	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	0.8
53.44157	0.5
55.05505	2.9
57.03426	0.8
57.07054	0.9
59.04980	0.6
67.05508	2.5
69.03427	1.1
69.07048	1.7
69.62952	2.3
69.63361	0.8
71.04972	1.5
71.38405	0.5
79.05473	3.3
81.07058	4.2
83.04993	2.5
83.08604	1.0
85.06534	1.0
87.91827	0.5
90.50146	0.5
91.05486	3.0
93.07047	8.1
94.08929	0.5
95.04977	5.4
95.08595	2.2
97.06543	4.2
97.10139	0.5
99.04426	1.4
99.08099	1.1
102.26785	0.5
103.05451	0.8
105.07040	4.8
107.08593	5.2
108.20450	0.4
109.06518	15.5
109.10152	5.2
111.08076	1.2
115.05501	0.6
119.08617	1.7
121.06471	0.8
121.10130	11.3
123.08058	1.6
123.11713	0.8
125.05998	1.0
125.09667	1.6
131.08580	1.3
133.10117	4.2
135.08055	2.2
135.11700	1.2
135.12735	0.4
137.09616	1.4
139.07564	1.0
139.11183	0.7
145.10144	0.7
147.11670	0.6
149.09616	100.0
149.13287	1.5
150.09895	0.8
151.11205	5.5
153.09091	5.5
155.19493	0.4
158.10904	0.7
163.11186	0.7
163.14825	1.5
165.12820	0.5
167.14313	0.8
173.13284	2.9
191.14299	4.3
209.15347	8.7
218.33498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1332
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
51.28830	0.4
53.03940	0.5
53.83038	0.4
55.01862	1.1
55.05519	0.9
56.96549	0.5
57.07073	0.8
58.06599	9.5
59.07375	5.2
60.08165	29.1
67.05507	0.9
69.03381	0.7
69.36523	2.1
69.36951	1.7
70.06574	1.9
71.04980	0.5
74.02438	1.0
74.60413	0.7
79.05492	17.8
80.05044	0.5
81.03413	1.1
83.04971	0.7
84.04492	0.7
84.08147	1.0
86.09670	0.5
91.05492	2.3
93.07047	2.3
95.04953	1.4
95.08568	0.5
98.06024	1.2
98.47530	0.4
103.05468	58.3
104.05778	0.8
105.07034	3.1
106.06551	0.8
107.04955	35.8
107.08573	0.6
109.06493	0.7
110.06006	0.9
111.04447	1.4
117.07043	0.5
119.04929	0.6
120.08089	1.6
121.06515	2.5
121.10147	1.1
124.07591	1.0
131.04929	49.2
134.06006	1.6
134.09610	1.2
137.09521	0.7
144.08002	0.5
147.04378	0.7
149.05986	14.3
151.06145	0.6
161.97342	0.9
162.05418	0.7
162.09109	2.3
163.03891	0.5
163.07503	0.5
164.05708	0.7
171.25089	0.5
176.04381	0.6
178.07274	0.6
179.07996	0.8
180.06560	1.8
190.08582	0.9
208.06100	1.8
208.09904	3.1
208.13327	100.0
209.04446	0.9
209.13611	1.9
209.15414	1.0
214.81998	0.5
224.33517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.46489	0.5
55.05507	1.4
57.07068	0.6
62.00830	0.4
63.54111	0.5
65.03925	0.6
67.05503	2.1
69.03458	0.5
69.07093	1.1
70.19214	2.1
71.04989	6.8
79.05502	1.2
81.07058	3.9
83.04970	1.8
83.08624	0.9
85.06547	1.5
91.05481	1.4
93.07051	3.6
95.04970	100.0
95.08603	1.4
96.05312	0.6
97.06543	2.0
99.04458	17.5
99.08088	1.9
105.07024	3.0
107.08611	5.0
109.06521	3.9
109.10157	2.7
111.08070	1.3
117.06986	0.6
119.08611	1.4
121.10131	3.1
123.11699	0.8
125.09647	1.3
131.08586	2.3
133.10147	9.6
135.08038	2.5
139.11185	1.6
142.70268	0.6
145.10118	0.7
149.13257	2.0
151.11153	4.2
153.09109	20.9
163.14835	1.0
167.14279	0.7
173.13280	3.7
189.15257	0.5
189.23117	0.5
191.14287	4.6
209.04436	0.9
209.15372	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	5.2
54.17098	2.3
55.01868	4.7
55.05518	30.6
57.03433	7.0
57.07056	7.2
59.04996	8.3
59.52637	2.8
65.03934	2.8
67.05508	18.4
69.03418	9.4
69.07074	19.9
70.89050	3.7
70.89357	3.4
71.05009	15.0
79.05506	23.1
79.31789	1.9
81.03414	3.7
81.07063	47.6
83.01334	10.3
83.04993	29.6
83.08640	12.7
85.02876	3.4
85.06529	7.0
91.05496	20.2
93.07051	44.0
95.04977	72.1
95.08611	36.6
97.06528	33.1
97.10153	6.6
99.04469	12.4
99.08118	14.4
105.07041	28.9
106.04220	4.6
107.04948	5.3
107.08594	75.1
109.06527	100.0
109.10159	50.9
111.08074	16.2
117.06970	3.7
119.08607	15.1
120.37090	2.4
121.06490	10.9
121.09324	4.5
121.10144	52.4
122.35512	2.3
123.08096	20.3
123.11725	15.8
125.06011	13.3
125.09631	25.9
127.07586	3.0
131.08589	16.0
133.10132	47.2
135.08063	29.9
135.11690	15.2
137.09622	11.9
139.07571	13.4
139.11134	5.8
145.10106	10.2
147.11714	14.7
149.05962	3.5
149.09637	51.8
149.13245	30.1
151.11191	80.1
153.09096	53.5
158.10880	4.7
163.07495	3.1
163.11128	4.4
163.14830	23.1
165.12787	5.7
167.10767	2.7
167.14305	11.3
173.13266	34.3
181.08549	3.0
181.15916	4.1
186.97064	2.6
191.14307	58.5
209.15366	99.1
223.12337	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.6
55.01855	1.8
55.05512	9.6
57.03395	2.1
57.07052	1.9
59.04997	3.0
64.20024	1.6
67.05496	11.1
69.03429	11.5
69.07050	6.5
69.28982	15.7
71.04973	4.1
77.03919	1.7
79.05494	9.4
81.07055	16.6
82.64053	2.0
83.04968	6.9
85.02441	2.6
85.02911	38.5
85.06512	3.7
85.96601	1.7
91.05477	38.8
93.07033	13.9
95.04965	4.1
95.08601	18.7
97.06513	2.8
103.05427	2.0
105.07027	36.2
107.04949	2.1
107.08594	28.8
109.06516	12.4
109.10160	10.7
111.08073	3.2
116.66315	1.6
117.07001	3.2
119.04944	24.7
119.08572	34.3
121.06499	5.6
121.10148	23.6
123.04447	5.3
123.08064	30.7
123.11695	29.1
124.65663	1.8
125.05927	4.9
128.06207	2.1
129.07024	2.5
131.08607	8.8
132.02051	2.7
133.06485	7.4
133.10091	10.0
135.04439	2.0
135.08031	4.8
135.11688	2.9
137.05951	3.2
137.09622	9.2
137.13277	1.8
142.00346	1.5
143.08533	5.0
145.10097	7.7
147.04399	21.7
147.08041	7.2
147.11685	28.3
149.02374	3.7
149.09618	90.3
151.07550	15.9
156.09335	7.2
157.03967	2.4
159.11673	2.7
161.05975	5.9
161.09602	5.2
161.13254	17.8
163.11151	5.5
164.04614	2.6
165.09016	2.6
165.12732	17.3
171.11700	12.0
174.10400	7.1
175.03914	18.1
179.06992	3.1
179.14270	2.8
189.09149	4.1
189.12735	49.5
192.04135	4.2
192.75343	2.1
207.02904	4.5
207.06454	14.4
207.13795	100.0
208.14268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	3.6
55.01857	2.9
55.05511	11.6
56.65148	1.4
57.03428	4.8
57.07063	3.0
59.04987	2.1
65.03940	5.9
67.05505	10.2
69.03417	6.9
69.07076	13.4
71.04993	5.9
71.20017	2.0
79.05494	13.4
81.03403	2.3
81.07053	16.7
83.04976	11.6
83.08604	4.3
85.02436	2.1
85.02905	23.5
85.06516	5.1
87.04460	1.4
91.05482	53.2
93.07036	18.2
95.04960	12.4
95.08611	14.7
97.02885	1.8
97.06538	11.1
99.04448	2.3
103.05450	4.7
105.07030	39.3
107.04939	2.8
107.08602	28.7
109.06524	56.4
109.10172	9.5
111.04400	1.8
111.08088	16.1
117.07032	5.1
118.04156	3.0
119.04945	39.4
119.08585	37.4
119.09380	3.3
121.06509	7.5
121.10144	33.2
121.10926	1.2
123.04485	3.2
123.08069	27.3
123.11698	16.1
125.05962	1.9
127.92761	1.4
128.06236	2.7
129.06975	4.5
131.08539	7.1
132.02074	4.5
133.02744	2.0
133.06470	6.2
133.10136	18.1
135.04411	1.5
135.08043	6.5
135.11687	3.1
136.05190	2.7
137.05952	4.8
137.09616	21.6
137.13286	3.9
139.07550	2.5
141.06935	1.7
143.08522	3.2
145.06509	1.8
145.10170	8.6
146.03604	3.9
146.07330	2.0
147.04424	33.3
147.08047	13.8
147.11690	53.2
149.02348	6.7
149.09628	41.8
151.07550	25.6
151.11142	3.5
156.09351	12.0
157.04004	5.1
157.06549	2.3
159.08055	5.3
159.11713	3.2
160.08751	1.7
161.06000	8.6
161.09610	8.9
161.13271	26.0
163.03911	2.2
163.11172	6.9
164.04688	4.9
164.08339	2.2
165.09106	5.6
165.12755	55.3
171.11707	15.9
173.57349	1.6
174.03114	3.0
174.10414	22.7
175.03915	37.1
179.07057	7.5
179.14340	4.4
189.09105	7.0
189.12749	56.4
189.14459	2.9
192.04176	5.2
193.04034	1.4
207.06511	26.1
207.13803	100.0
208.06006	2.7
220.13686	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.07616	2.0
50.89311	2.1
54.81539	2.7
55.01847	5.7
55.05503	6.2
57.07063	6.1
65.03917	2.8
67.05505	19.0
69.03430	23.4
69.07053	10.1
69.57238	16.6
71.04977	7.7
79.05502	15.6
81.03395	8.3
81.07056	37.2
83.04965	9.0
83.08646	2.5
85.02886	5.6
85.06525	8.2
91.05482	34.4
93.07042	17.5
95.04971	25.5
95.08607	25.0
96.97397	2.3
97.06512	6.6
99.04468	3.5
103.05441	2.7
105.04565	2.3
105.06410	3.4
105.07040	41.0
107.08598	56.7
109.06518	27.0
109.10143	5.3
111.08086	3.5
117.06979	4.1
119.04942	12.2
119.08593	36.0
121.06510	9.5
121.10155	29.9
123.04430	18.3
123.08060	29.6
123.11677	10.5
129.07037	2.8
131.08592	8.7
133.06490	5.8
133.10120	22.8
135.08057	8.8
135.11667	4.1
136.08745	2.5
137.05963	4.3
137.09634	12.1
137.13232	4.4
145.10121	8.4
147.04410	12.6
147.08052	7.1
147.11685	36.2
149.09625	64.1
151.07547	60.8
153.09090	2.7
156.09306	12.1
161.09601	4.9
161.13220	16.6
163.11156	10.3
164.04675	3.6
165.09167	5.6
165.12762	19.6
171.11719	11.8
174.10454	4.9
175.03899	9.7
179.07011	2.9
179.14253	3.5
181.28102	2.5
189.12738	31.6
192.04178	3.8
201.95177	2.5
207.06529	9.1
207.13800	100.0
209.13144	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02399	2.0
53.03926	2.2
55.01871	9.1
55.05510	6.5
57.07050	2.3
59.04982	1.6
63.54323	1.3
65.03943	2.4
67.05503	7.9
69.03413	5.3
69.07059	4.8
69.67123	8.9
70.48155	1.3
71.04981	4.1
71.87840	1.6
77.03926	1.8
78.96465	1.2
79.05480	9.0
79.72154	1.3
81.03384	2.3
81.07059	16.8
83.04966	4.2
85.02906	61.8
89.03918	2.4
91.05479	42.1
93.07057	12.4
95.04953	4.3
95.08620	9.3
97.06576	1.5
98.97600	1.9
99.04456	3.0
103.05438	3.9
105.03342	2.3
105.07033	31.6
107.04945	4.0
107.08595	17.5
109.06516	8.1
109.10162	17.3
111.04455	1.5
111.08130	2.2
115.05460	15.5
117.07016	5.5
118.04089	2.7
119.04934	31.6
119.08586	30.5
119.09411	0.9
121.06486	6.9
121.10130	14.4
123.04430	100.0
123.08067	11.6
123.11708	41.4
125.05993	8.3
125.09537	1.5
128.06171	2.1
129.07011	2.2
130.07797	1.6
131.04910	6.9
131.08559	9.5
132.02095	1.7
133.02849	1.7
133.06506	12.2
133.10146	8.2
135.08054	5.7
135.11664	2.1
137.02321	6.4
137.05965	3.2
137.09584	4.2
143.04915	18.0
143.08510	3.7
145.06520	2.4
145.10083	6.7
147.04420	36.3
147.06218	1.7
147.08080	8.6
147.11691	27.6
149.02330	5.3
149.05980	3.4
149.09642	17.0
151.03879	3.8
151.07565	11.3
156.09367	6.7
157.03903	3.3
159.08025	2.8
159.11681	7.7
161.04640	3.0
161.05989	57.0
161.09628	3.7
161.13274	15.7
163.03889	3.9
163.07527	1.8
163.11214	4.0
164.04640	2.6
165.05469	7.4
165.09125	1.6
165.12729	4.5
171.04295	2.1
171.11697	7.9
174.10466	1.9
175.03923	23.1
177.05487	7.2
177.12796	2.6
179.07011	16.1
179.14351	1.9
189.05481	8.0
189.12735	19.5
190.08647	2.4
191.06993	6.8
192.04172	6.1
200.37404	1.4
207.02725	1.5
207.06514	29.7
207.13791	54.1
208.09619	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.12922	1.2
55.01861	2.8
55.05494	3.7
57.07061	1.6
65.03927	2.0
67.05494	5.8
69.03406	3.2
69.07066	3.1
70.76715	1.3
71.04983	2.1
71.14394	2.3
79.05473	4.5
81.07052	17.6
85.02907	100.0
91.05486	26.6
93.07034	6.0
95.04960	1.5
95.08606	6.7
97.62583	1.5
105.07037	18.2
107.04977	2.0
107.08603	12.2
109.06491	4.0
109.10161	19.1
111.04427	2.6
115.05438	7.4
117.06997	2.6
118.04151	2.4
119.04941	20.2
119.08587	17.2
121.06479	4.2
121.10150	13.5
123.04430	35.1
123.08057	5.5
123.11710	68.0
125.05990	13.0
131.04939	2.8
131.08566	4.3
132.02069	1.6
133.06473	4.1
133.10103	4.7
135.08055	1.6
143.04959	6.7
143.08514	1.6
145.10112	5.7
147.04410	22.2
147.08072	6.3
147.11679	16.6
149.02426	2.1
149.09604	19.2
151.07547	8.6
156.09351	4.6
159.11696	2.4
161.05980	19.6
161.09663	2.4
161.13234	5.6
163.11134	2.3
165.05400	1.9
165.12747	3.5
171.11665	4.2
175.03917	18.8
177.05481	2.5
179.06990	5.4
181.86482	1.5
189.05473	3.5
189.12708	13.7
191.07050	2.0
192.04172	5.8
207.06531	19.3
207.13802	43.0
207.15746	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	207.1129
Annotation	Donaxaridine
Peak:m/z	Relative Intensity
55.01867	3.6
55.05518	3.7
56.05035	4.8
56.96566	39.1
57.03436	5.7
58.06598	3.2
60.04533	2.9
65.03950	2.8
67.05492	9.0
68.72720	2.3
69.03438	5.8
69.07070	3.8
70.06578	14.1
71.04987	6.6
73.02921	2.5
74.97594	7.2
77.03965	2.5
79.05495	6.0
81.03410	7.0
81.07044	6.2
83.04965	4.0
84.04500	3.2
84.08139	10.0
85.01156	3.2
85.02900	6.3
85.06509	4.1
86.97591	7.1
91.05476	25.7
93.07022	5.0
94.06558	3.3
95.04971	5.5
95.08580	4.0
96.04498	8.5
97.02909	4.1
98.97605	5.3
99.02665	5.3
101.04253	3.0
103.05447	4.2
105.07046	13.2
107.04965	3.6
107.08614	6.6
109.02885	5.5
109.06528	6.2
111.02658	3.3
111.04392	2.8
115.05448	3.2
116.98615	3.3
117.02009	4.1
117.07028	3.7
118.06567	4.3
119.04932	15.3
119.08578	8.2
120.08132	3.3
121.06517	3.0
121.10185	5.1
123.04439	4.8
123.08067	7.1
123.11713	2.9
126.97024	3.1
130.06525	23.3
131.08533	2.8
132.04411	12.8
132.08092	2.8
132.98097	9.9
133.06496	6.8
133.10124	3.1
134.06049	4.1
137.05956	7.4
143.03580	16.6
144.98082	5.5
145.07639	3.6
145.10333	3.0
146.06030	33.0
147.04381	17.2
147.05396	2.9
147.08096	5.3
147.11725	6.3
148.03943	32.0
148.07613	4.1
149.09612	4.9
150.99161	19.2
151.04012	2.9
151.07550	4.2
158.05977	16.9
160.07530	2.7
161.03091	3.2
161.04704	4.7
161.06023	9.6
161.09616	3.9
161.13184	3.2
162.05504	6.2
162.99149	5.9
163.03857	5.1
165.05524	4.5
165.12801	3.9
169.00227	3.7
171.09245	5.5
175.03946	9.6
176.07060	33.3
178.07961	2.9
179.03494	5.8
179.06929	3.8
179.08472	4.1
180.05202	3.5
189.04085	12.1
189.05611	7.1
189.10243	47.0
189.12753	4.5
190.08670	3.1
192.04161	3.8
207.02962	11.3
207.06349	14.3
207.11313	100.0
207.13766	9.8
224.99156	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	207.0654
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02378	1.2
53.03921	1.2
55.01849	1.2
57.41278	0.7
63.02382	1.2
65.03936	7.6
67.05484	0.8
68.55836	0.7
70.62482	2.6
77.03925	1.9
78.04713	0.7
79.05479	2.9
80.06277	0.9
81.07055	1.6
85.02883	2.3
89.03925	6.6
90.04695	2.0
91.05481	100.0
93.03404	0.8
93.07026	2.1
95.04954	1.9
95.08620	1.8
103.05469	2.6
104.02563	1.5
105.03389	1.8
105.04482	1.1
105.07027	2.7
107.04945	3.3
107.08564	2.2
108.05748	2.2
109.06524	1.5
118.04182	8.8
119.04944	94.7
119.08555	2.1
120.05264	1.0
120.72884	0.7
120.93936	0.9
121.02884	2.2
121.06502	2.4
121.10184	2.0
123.04404	1.8
123.08067	1.6
123.11670	0.9
127.71555	0.8
129.03336	2.1
129.04419	1.0
131.04926	1.0
131.08559	0.9
132.02069	9.0
133.02852	1.5
133.10077	0.9
134.03600	1.8
135.04411	3.9
136.05190	5.2
143.08611	0.8
145.02852	1.5
146.03642	6.6
147.04411	78.1
147.11682	2.2
149.02327	13.9
149.06000	1.2
149.09610	1.6
150.03107	1.2
151.07542	4.0
157.03981	9.9
159.85522	0.7
160.01605	1.2
161.05959	1.6
161.13216	1.3
162.03091	1.7
163.03909	2.9
163.11154	1.3
164.04691	12.1
171.11674	1.0
174.03079	6.6
175.03911	92.0
176.04298	1.5
179.07031	13.9
189.12729	2.1
191.03444	1.1
192.04166	15.8
207.06528	53.3
207.13776	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	206.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	100.0
68.98294	1.1
70.50281	0.4
71.47762	0.4
71.95267	1.8
72.96039	0.9
73.32291	0.4
74.06073	0.7
74.97610	31.9
84.04549	0.6
84.08150	1.2
84.82818	0.4
84.96028	1.4
85.02896	0.4
86.97598	21.7
86.99354	1.1
89.17527	0.4
92.98640	2.8
97.01428	0.5
97.99216	1.3
98.97588	12.8
100.02498	1.3
100.99158	3.2
101.00877	1.8
102.05565	0.6
104.85973	0.4
104.98629	2.4
105.00370	0.4
108.96017	1.4
110.07169	0.6
113.00909	0.4
114.97054	11.0
115.02438	2.0
116.98638	5.8
117.03980	0.6
118.03519	0.6
118.05009	0.6
119.00219	1.3
119.01913	2.7
120.00200	1.7
120.02097	0.7
124.00306	0.5
124.99255	0.5
125.00846	0.5
126.72939	0.4
126.97047	9.9
131.01923	0.8
132.00175	1.8
132.50163	0.4
132.98097	32.9
133.03476	0.6
133.99864	3.8
134.49954	0.7
134.99718	1.8
135.05109	0.5
139.00801	0.5
140.50867	0.6
141.00650	3.9
141.50882	0.4
142.03429	0.5
143.00400	0.6
143.01907	2.7
143.03618	0.8
143.50974	1.1
144.97087	0.7
144.98087	18.2
144.99232	1.0
145.50737	0.7
145.98729	1.0
145.99936	2.1
146.98769	0.7
146.99852	0.6
150.99149	61.5
152.51555	1.3
153.97542	1.2
154.00554	0.7
155.00438	6.0
155.50610	0.7
155.99425	1.4
156.96979	0.7
157.50717	0.9
157.98709	1.4
158.06630	1.1
160.48935	0.6
160.97615	1.2
161.02962	15.4
161.98380	0.7
161.99608	0.5
162.99133	14.3
164.99951	0.7
165.97603	0.8
166.03476	0.7
166.47647	0.7
166.51366	0.9
167.01772	0.5
167.97350	0.8
167.99481	1.6
169.00215	18.7
169.49483	2.0
170.98932	0.7
171.98447	1.2
172.06190	0.4
172.96513	0.6
173.98450	0.6
174.00754	1.4
175.00023	0.5
176.99918	5.5
177.50060	1.2
178.98637	1.7
179.04022	1.7
179.50136	0.8
179.97299	1.2
181.00215	2.1
181.97029	0.4
181.99062	0.6
182.99072	1.5
183.49181	1.9
183.95706	0.5
183.99059	0.9
184.02107	0.8
184.04568	7.6
184.96158	0.5
185.02969	2.4
186.00548	2.4
186.50468	0.5
188.50768	5.4
188.97188	0.4
189.00830	1.0
189.98955	0.7
190.99606	1.7
191.99547	1.2
193.49831	0.4
193.97911	1.4
197.51381	1.0
198.99475	3.1
199.49551	0.6
201.49944	0.7
201.96840	1.9
202.00122	0.5
202.02730	1.6
202.05634	1.0
202.46799	0.8
202.50221	0.7
202.96977	0.5
203.03992	0.7
205.48743	1.8
206.98170	6.7
207.00049	0.4
207.06502	0.5
208.04599	0.7
210.50282	1.1
210.97333	1.1
211.47469	0.5
212.99130	1.1
220.03610	0.5
221.99619	0.8
224.99190	23.8
225.02495	1.0
229.00368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1025
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01869	2.3
55.05500	2.6
56.05036	16.7
56.05823	1.1
57.03437	2.8
58.06601	23.4
59.04990	2.7
60.04536	5.7
67.65775	1.1
68.05039	9.5
69.03418	2.0
69.07052	3.6
70.06586	3.5
70.43592	2.4
71.04984	3.1
72.04516	2.8
72.08143	2.7
73.02893	1.3
73.06546	1.4
74.02431	1.7
74.06061	1.5
76.07617	3.4
79.05501	2.0
80.05011	4.4
81.03412	1.8
81.07042	1.6
82.06587	5.8
83.04973	3.5
84.04507	100.0
84.08141	1.8
84.76617	1.1
85.02902	16.1
85.08466	1.2
86.06070	2.2
88.03992	1.3
96.04506	1.2
96.08133	93.5
97.02872	1.4
100.07604	3.1
101.07932	1.3
102.05541	5.0
103.39587	1.1
107.13658	1.1
109.02850	2.1
110.06024	4.7
114.05515	3.0
114.09193	1.3
122.06056	5.9
124.07594	57.2
128.07063	5.9
129.07347	1.1
130.04982	1.1
131.03442	1.6
134.05983	3.2
140.06993	3.0
142.04945	1.3
142.08641	74.2
146.08067	6.6
147.08492	1.7
152.07086	3.8
160.04306	1.6
160.09708	66.7
160.13319	1.7
170.08133	65.8
174.11235	1.8
178.04895	1.5
188.09172	19.7
206.04637	2.5
206.08534	2.7
206.10242	67.7
206.13873	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	206.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64767	1.5
53.03936	3.5
54.57122	1.6
55.01859	4.2
55.05499	7.9
56.05039	8.1
56.96557	5.9
57.03445	10.6
57.07070	2.6
58.06590	4.0
58.34776	1.8
58.99594	5.1
59.04999	7.2
60.04534	4.5
60.83446	1.8
61.01145	1.8
65.03930	3.9
66.87252	1.6
67.05499	3.7
68.05021	2.1
69.03430	10.2
69.07059	6.3
70.02947	13.4
70.06582	6.7
70.69220	4.1
71.01359	1.7
71.04998	31.8
72.04516	32.4
72.08157	1.8
73.02914	20.6
73.06567	1.7
74.02446	32.3
74.06087	4.5
79.05496	4.1
80.04994	3.6
81.03420	19.3
81.07060	5.1
82.06568	5.5
83.04971	3.0
84.04514	13.1
84.08144	20.9
85.02891	9.4
85.06538	9.5
86.00658	6.8
86.03697	2.6
86.09715	4.4
86.99018	2.6
87.02700	5.9
87.04470	2.3
87.08102	11.9
88.02204	4.7
88.03983	5.5
89.06033	13.4
90.05556	100.0
91.05473	2.8
95.06074	2.7
96.04507	3.0
96.08138	20.9
97.02894	4.7
97.06550	2.5
98.02419	19.3
98.06044	3.8
98.09694	3.5
99.02689	7.4
99.04462	17.1
100.00134	1.9
100.03989	13.0
100.05214	3.2
101.04238	6.6
101.06026	2.1
102.05559	2.8
106.06522	2.6
107.04970	3.5
108.04468	8.0
108.08128	6.8
109.02874	10.5
109.08912	1.7
110.06049	11.5
111.04446	2.5
112.11280	2.0
113.03043	1.6
114.03747	10.4
114.05567	3.2
114.09173	19.9
116.01681	2.4
116.02726	2.3
116.03436	14.7
116.05278	1.9
116.07105	3.0
118.08694	3.7
119.01826	2.1
122.06049	4.5
124.07592	20.1
125.04219	2.5
125.06004	5.8
128.07083	39.6
128.10680	2.1
129.05525	2.1
131.01880	3.3
134.06055	3.2
142.03221	3.7
142.05106	2.8
142.06866	67.1
142.08600	30.2
143.07117	2.2
146.08145	18.3
149.02324	1.9
150.99193	1.9
152.07069	12.9
156.02608	2.1
157.03467	2.5
160.04274	15.3
160.07922	47.8
160.09700	39.1
160.13338	11.6
161.02921	2.6
170.08134	30.5
171.04759	5.4
174.11264	2.5
176.39639	1.6
178.04968	5.9
188.00061	2.9
188.05737	3.5
188.07407	40.4
188.09193	69.6
199.04474	1.9
201.00754	2.7
206.04654	5.4
206.08449	55.4
206.10262	35.0
206.11885	3.0
206.13840	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	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03942	0.4
55.01868	0.3
55.05503	0.5
56.05045	0.4
56.96583	1.1
57.03445	0.4
58.06597	0.3
59.04998	0.2
60.04534	1.2
65.03949	0.2
67.05511	0.4
68.05042	0.3
68.99821	0.2
69.03432	0.7
69.07075	0.4
70.06598	0.7
70.75487	0.2
70.98711	0.3
76.04003	0.8
77.03953	0.2
79.05450	0.3
80.05018	0.9
81.03423	2.3
84.04504	0.3
84.08127	0.4
85.02920	1.2
88.02220	0.3
91.05489	0.6
93.03448	0.2
94.73952	0.2
95.04977	0.6
96.04492	0.4
96.08142	0.3
97.02889	1.2
98.09703	1.1
98.97591	0.8
99.04480	0.2
104.05012	0.7
105.03423	0.5
105.07045	0.4
106.05061	0.3
106.06546	0.3
107.04955	0.2
108.04464	1.8
110.06025	0.3
110.07163	0.2
114.03761	0.5
116.05280	0.4
116.98640	0.5
119.04974	0.3
120.08103	0.3
120.99566	0.3
121.02847	0.2
122.06041	0.2
128.98602	0.4
132.04460	21.0
133.02792	0.3
133.04836	0.2
134.05972	0.3
135.15569	0.2
136.07599	0.2
142.08646	0.3
144.10211	1.9
146.05971	0.3
147.04362	0.4
149.02362	0.7
150.02715	1.9
150.05487	0.6
151.03938	1.9
152.04263	0.2
155.00085	0.2
160.04019	1.4
160.07596	1.0
160.11275	0.2
161.08012	0.3
162.05490	0.2
163.11003	0.2
178.04997	100.0
179.05284	0.9
188.00070	0.3
188.07108	0.5
188.09105	0.4
188.12863	0.3
191.14310	0.6
194.55794	0.6
201.00690	0.5
206.04489	51.6
206.07983	1.2
206.11829	1.5
206.13753	0.6
207.04745	0.4
219.01698	0.3
227.99409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.03949	0.9
54.03482	0.5
55.01875	0.5
55.05505	0.5
59.00032	0.5
65.03958	2.1
67.05505	23.0
68.05873	0.6
68.06310	0.6
69.03433	0.7
69.07083	1.4
70.06597	0.6
71.30134	0.9
79.05497	6.1
80.05029	1.0
81.03433	2.1
81.07056	3.2
82.02941	3.0
82.06576	0.9
84.04521	2.1
85.02912	0.9
91.05490	3.0
93.05805	1.5
93.07037	0.9
94.06595	1.5
95.04969	16.6
95.08617	0.9
96.04494	5.9
96.05753	1.4
97.02922	0.8
97.06490	0.6
98.97578	0.9
103.05489	0.8
105.07049	3.7
106.06574	1.7
107.07339	4.2
107.08587	1.0
108.04498	1.0
108.08121	20.2
109.06522	0.5
110.02411	0.9
110.06050	7.0
115.05475	0.5
117.05732	0.9
118.06547	0.8
119.04946	1.8
119.08623	0.8
120.08088	1.0
122.06055	1.7
122.09661	6.9
122.10488	0.6
123.04478	0.7
123.08113	0.5
124.07542	0.5
132.08096	1.2
133.06496	0.5
134.06018	1.1
135.06795	2.5
136.07570	0.8
146.06039	1.1
147.04414	1.8
148.07593	0.6
149.02357	1.0
150.02699	1.3
150.09145	37.3
161.05995	0.7
175.03900	1.4
178.08635	100.0
179.08928	1.3
188.07027	0.8
189.12808	0.5
206.08121	61.2
206.11844	2.4
206.15475	1.0
207.08461	0.8
207.13702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
54.15547	0.7
54.71794	0.6
58.36210	0.5
71.09834	1.1
74.02448	1.4
80.28313	0.6
91.05495	2.2
115.05441	3.0
117.05756	1.8
117.07029	2.6
118.06541	46.1
122.98732	0.7
130.06535	3.8
132.08080	10.9
142.06528	4.9
143.07303	6.4
144.04474	1.0
144.08087	22.7
146.06012	100.0
147.06322	0.7
155.05980	0.8
159.09187	10.4
160.07576	2.4
170.06021	8.0
188.07071	85.4
205.09863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05502	2.1
57.07080	3.6
59.65406	0.6
65.03934	1.4
67.05502	3.5
69.03435	1.0
69.07076	1.7
69.67692	4.6
71.04993	24.3
79.05479	3.4
81.03389	0.9
81.06594	1.0
81.07056	9.6
83.04993	0.8
83.08620	0.9
83.90850	0.8
85.02922	0.9
85.06553	1.0
91.05486	6.7
93.06498	0.9
93.07042	10.7
95.04984	4.0
95.08609	16.7
97.02883	2.0
97.06509	1.9
99.08061	0.9
103.05445	0.7
105.07034	34.4
106.07310	0.8
107.08601	11.0
109.06519	2.5
109.10175	2.2
111.08055	2.3
113.09653	12.2
113.96513	0.7
117.07002	2.7
119.08580	14.4
121.02846	3.1
121.06487	0.9
121.10133	8.3
123.08083	1.0
130.07852	1.3
131.08575	14.2
133.10107	2.3
135.08052	1.5
135.11702	2.0
137.09592	0.8
143.08517	1.0
145.06473	1.3
145.10129	24.2
147.11693	33.1
148.12001	1.3
149.02350	26.3
149.09644	2.0
159.11705	6.6
161.13257	5.3
163.11209	1.6
163.14810	3.9
173.06029	1.0
175.45120	0.7
177.12779	2.2
187.11264	1.1
187.14827	35.2
190.09850	0.7
205.04936	1.5
205.12222	5.0
205.15883	100.0
206.16261	1.5
229.00838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03921	1.7
55.05510	8.9
57.07063	4.8
60.04509	3.6
65.22924	1.7
67.05504	19.2
68.05032	1.4
69.07073	21.6
71.23795	3.0
73.24335	1.5
79.05495	8.5
81.07056	62.9
83.08597	4.5
84.04494	3.3
91.05484	15.2
93.06489	1.8
93.07042	20.0
93.65219	1.3
95.08607	45.4
96.04471	5.6
97.02867	3.8
100.03207	1.5
105.07035	64.2
107.08587	25.5
109.10150	33.2
117.07035	5.6
119.08578	59.7
121.06493	1.8
121.10138	17.7
123.11694	5.7
126.05505	4.2
128.06213	2.1
129.07002	2.7
131.08559	7.0
131.91072	1.3
133.10130	59.3
135.11728	6.7
137.41867	1.4
142.07771	3.0
143.08548	3.9
145.10114	22.4
147.08061	1.9
147.11684	100.0
157.10130	4.7
159.11629	7.3
160.12489	10.1
161.09634	3.9
161.13268	27.5
174.14252	2.3
175.11108	1.6
175.14815	6.5
185.13269	5.6
188.08363	2.3
203.10629	8.5
203.14314	10.4
203.17953	98.8
204.08543	1.7
204.13882	6.9
204.18275	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	203.1503
Annotation	SDMA
Peak:m/z	Relative Intensity
50.14784	0.8
56.05029	1.1
57.04552	1.0
57.33522	0.9
58.06607	1.0
60.04515	1.3
68.05028	1.5
69.74444	0.8
70.06596	100.0
70.92400	1.0
70.92720	1.4
71.05009	6.0
71.05743	1.6
71.06118	28.7
72.08159	5.6
74.06056	1.8
84.04515	1.5
84.08140	3.6
85.02905	1.2
88.07643	2.8
88.08756	29.3
88.09565	1.2
98.06062	21.9
100.07629	2.4
102.05531	1.6
111.83363	0.9
112.07584	1.7
112.08732	1.5
112.11257	8.0
112.77714	0.9
114.05522	3.7
114.09136	1.0
115.08701	8.6
116.07093	47.5
126.05480	2.1
126.10284	2.3
129.13875	4.0
133.09735	7.2
140.07042	6.0
144.06567	17.3
157.09776	2.6
158.08083	3.3
158.09288	3.8
158.11652	1.3
158.12903	19.8
172.10822	11.1
175.11972	0.9
186.07542	1.2
203.05238	19.9
203.10284	3.4
203.15059	47.3
204.08646	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0815
Annotation	IPA imine
Peak:m/z	Relative Intensity
59.27177	0.3
64.30404	0.4
70.06591	0.5
70.14906	1.1
70.15323	0.8
77.85160	0.4
86.09722	0.6
130.06528	69.3
131.06061	1.5
132.08070	0.4
140.04955	1.0
148.60547	0.4
156.06837	1.2
157.07613	100.0
158.05994	0.5
158.08099	1.4
185.07103	3.9
203.08156	55.1
204.08453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1068
Annotation	Tremetone
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	1.6
55.05494	2.1
57.07074	0.7
58.06594	1.0
58.99573	1.6
59.69121	0.6
60.04512	2.1
67.05506	3.4
68.05013	0.8
69.03407	1.1
69.07053	1.6
70.06580	1.3
71.50018	1.3
79.05508	4.7
81.07065	6.0
83.04958	1.3
83.08624	0.8
84.04520	0.8
85.02866	0.9
86.09686	0.8
91.05473	6.6
91.72971	0.6
92.31806	0.7
93.07033	2.4
95.04958	1.0
95.08595	6.4
97.02863	1.4
100.11220	1.9
103.05441	2.6
105.07034	9.3
107.08588	4.2
109.02898	0.8
109.06498	0.9
109.10178	3.8
111.04433	1.0
115.05440	11.1
117.07015	4.7
119.04945	0.9
119.08577	9.0
121.10117	2.0
126.05499	1.1
127.05417	0.9
128.06224	66.6
129.07048	5.0
130.04117	0.7
130.06496	3.2
131.04945	5.6
131.08588	1.6
132.05670	1.7
133.06508	1.8
133.10152	5.7
135.11716	0.7
137.05984	2.9
140.05280	0.8
141.06982	4.4
142.07820	3.4
142.09607	0.7
143.04927	2.5
143.08562	63.8
144.05675	2.5
144.09035	0.9
145.06490	11.0
145.10120	5.7
146.07263	0.8
147.04378	4.2
147.08025	3.9
147.11697	6.6
152.06186	1.4
153.06989	2.6
154.94382	0.7
155.06065	5.3
155.07213	0.9
155.08563	1.4
156.05687	1.2
157.06464	2.4
157.07613	4.8
157.10138	3.9
158.05986	1.7
158.07224	1.1
159.04428	8.4
159.08054	2.2
159.11639	1.2
160.05194	14.1
160.07565	0.6
160.08784	4.0
161.05998	7.0
161.09633	3.1
161.13232	2.7
162.06793	2.3
170.10968	1.8
171.08051	62.6
172.08862	5.1
173.05988	10.4
173.09476	0.9
174.06764	34.1
175.07545	40.7
175.11037	3.5
175.14822	2.0
185.09570	1.5
185.13228	1.7
187.07733	1.5
188.04738	1.6
188.08325	40.1
203.03380	2.1
203.06984	6.7
203.10660	100.0
203.14069	7.8
203.17975	7.6
204.08777	0.8
204.10898	2.2
204.13774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01869	0.5
55.05509	1.2
55.93528	0.7
56.05035	1.5
56.96578	0.5
58.99599	0.8
59.04999	2.3
60.04522	1.5
61.23078	0.3
67.05496	0.8
68.05029	3.2
69.03416	0.9
69.07081	0.5
69.65568	1.6
70.02946	0.4
70.06595	23.0
71.04976	1.0
72.04511	1.4
72.08145	0.7
72.93790	2.1
73.06560	3.0
73.74194	0.3
74.02436	0.9
80.05025	0.5
81.03418	1.5
82.06579	1.0
83.04965	0.8
84.04508	6.7
84.08144	21.7
85.01128	0.7
85.02908	1.5
86.00661	0.7
86.06047	0.4
86.09714	1.1
86.99065	0.8
87.00828	0.6
87.04449	0.4
88.03989	0.8
90.94827	1.3
93.07033	0.5
95.01318	0.7
95.04978	0.5
96.04501	4.3
96.08138	1.5
97.02901	0.9
98.06055	1.7
98.09734	0.3
98.20827	0.4
99.04491	0.4
100.07609	0.5
102.05548	0.7
110.06038	0.7
110.09683	3.5
112.03977	1.4
112.07558	0.5
113.02379	1.2
113.05984	0.4
114.05537	13.1
114.09138	0.5
116.07072	2.0
119.01945	0.8
120.08127	0.4
124.03919	2.2
124.11234	25.5
125.02362	1.1
130.04976	2.0
130.06531	59.2
131.01634	0.5
131.06058	1.5
132.01157	1.2
132.95860	0.6
138.00098	0.7
138.05498	3.7
138.09160	2.6
140.04926	1.1
142.05020	5.3
142.12279	63.6
142.94258	0.4
143.12608	0.6
146.06030	0.5
149.96063	0.9
150.96935	0.3
156.04581	0.8
156.06569	9.0
156.10193	2.2
156.13863	1.3
157.07616	100.0
158.08365	0.8
158.11771	0.5
159.09135	0.6
160.06059	1.2
160.07492	0.5
160.09718	0.8
160.95331	1.2
166.05014	0.6
167.97198	0.7
170.11772	0.9
171.42351	0.3
173.98488	0.5
174.02232	1.5
174.05521	2.9
175.11952	0.4
184.00648	1.9
184.06096	2.4
184.07523	0.4
184.08015	0.4
184.09702	3.4
184.13332	13.8
185.07115	4.5
201.95593	1.0
202.01779	1.6
202.05031	0.9
202.07085	1.2
202.08981	0.7
202.10910	3.2
202.12405	0.7
202.14384	38.5
203.08163	56.4
219.96628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
53.90450	0.4
55.05509	1.2
56.05036	3.2
58.99587	5.1
70.06612	0.6
70.23439	1.1
76.02237	0.8
79.05498	5.6
81.07053	3.3
82.06573	1.2
85.01128	16.9
86.00653	2.5
86.99049	3.1
88.02233	0.9
88.04031	0.9
96.04472	0.5
96.08125	0.7
97.08913	0.9
98.09694	5.1
98.10275	0.5
98.20821	0.5
100.02182	0.4
105.00091	1.0
113.04232	6.4
115.05461	0.9
117.05764	0.8
128.06223	7.2
129.07004	58.7
130.06531	1.0
130.07361	1.4
132.01175	2.1
132.08090	1.1
140.28604	0.3
142.06516	1.0
143.07310	4.3
145.06500	0.5
146.05937	0.4
154.06522	0.9
155.06082	0.8
155.07307	2.5
155.96535	0.4
156.08086	100.0
157.08688	2.7
158.09663	6.1
160.07581	6.6
170.06075	0.7
184.07573	68.5
185.06416	0.9
185.07898	1.1
202.08640	37.9
203.08705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0863
Annotation	Quinoline-2-methanol acetate
Peak:m/z	Relative Intensity
55.05509	0.6
56.05038	1.5
58.99596	2.1
69.07072	0.5
70.02967	0.4
70.06619	0.6
71.49055	0.4
71.49429	0.4
76.59602	0.3
79.05501	2.8
81.07060	1.5
82.06570	0.9
84.08140	0.4
85.01131	7.3
86.00656	1.2
86.09727	0.4
86.99060	1.4
88.03987	0.8
91.05505	0.4
97.08909	0.5
98.09698	2.7
103.05480	0.3
105.00108	0.6
105.03445	0.4
110.06041	0.3
110.09663	0.3
112.42217	0.3
113.04237	3.0
115.05486	1.1
117.05771	1.0
128.05205	0.5
128.06230	9.2
129.07011	62.9
129.40729	0.3
130.06546	1.2
130.07396	0.5
132.01178	0.9
132.08087	1.3
142.06511	1.7
143.07310	4.3
145.05252	0.7
145.06444	0.5
154.06566	1.0
155.06123	0.7
155.07272	3.1
156.08096	100.0
157.08832	3.1
158.09657	7.4
160.07573	8.3
169.90051	0.3
170.06032	0.5
172.07666	0.4
184.07588	67.9
185.07909	1.4
202.08646	35.1
203.07011	0.4
203.08972	0.6
213.44458	0.3
217.31378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05516	7.3
56.05036	16.5
57.98818	0.9
58.19710	0.7
58.99299	1.8
58.99589	31.5
61.01163	0.8
67.05490	0.8
68.05032	1.0
70.06590	0.8
70.82798	1.0
70.83139	1.4
73.02916	0.8
74.00657	1.6
76.02226	6.5
79.05491	30.8
80.05029	1.4
81.07054	21.0
82.06575	8.0
85.01130	100.0
86.00652	14.5
86.99048	16.1
87.02712	0.8
88.02215	3.9
88.04003	1.8
93.07037	1.1
94.06539	0.8
95.04980	0.8
96.08121	1.1
97.01127	1.0
97.08905	7.5
98.09695	27.7
99.02652	0.9
105.00090	8.8
105.04501	0.9
105.07019	0.8
110.09689	2.0
111.47445	0.7
112.43174	0.9
112.64416	0.7
113.04234	38.0
120.01151	1.8
122.09688	2.1
128.06248	1.8
129.07011	7.3
130.06641	1.0
132.01144	12.0
139.05754	0.9
156.08150	17.7
157.08676	0.9
158.09802	0.9
159.04738	0.9
160.07599	2.2
184.07587	12.3
185.06355	4.2
202.08867	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	201.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.7
55.78268	1.0
57.03160	1.3
57.03436	28.3
57.07075	100.0
58.83985	1.0
62.92167	1.1
67.05497	10.7
69.07044	3.2
70.06591	2.0
71.04990	2.7
71.08632	1.1
71.50264	1.9
72.04501	1.4
75.04456	2.1
79.05493	1.3
81.07049	3.0
83.08616	1.8
84.08109	1.3
87.04433	1.2
89.06027	11.7
91.05460	3.1
93.07072	1.9
95.08588	1.8
99.31458	1.1
103.07576	5.1
105.07028	1.6
107.08588	1.1
109.10160	8.5
114.95641	1.8
117.06987	1.8
117.19796	1.0
118.96728	7.9
119.08588	2.1
127.11196	21.5
131.08553	4.2
132.96713	1.4
133.10062	1.4
133.99081	2.1
143.08531	1.6
145.10161	7.3
145.12233	11.7
154.96466	1.9
155.08507	1.3
157.10092	1.2
158.07321	1.8
159.08047	1.5
159.11714	4.7
171.57864	1.1
173.13322	1.8
174.06943	1.1
177.98055	4.4
183.11996	2.1
201.05423	2.0
201.09134	1.6
201.12840	5.1
201.14838	22.1
201.16457	5.2
201.24011	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	200.0918
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
50.13875	1.1
52.04970	1.0
53.03922	1.6
53.94254	1.0
67.05502	7.6
68.05049	1.1
69.03436	6.7
69.07067	7.6
70.06577	1.8
71.21716	2.2
71.22054	1.1
79.05486	3.1
80.05006	4.7
81.07051	4.6
82.06557	2.9
84.08142	2.8
91.05491	11.2
93.05777	4.9
93.07052	6.8
94.06570	26.9
95.04984	6.5
96.04454	1.3
96.08102	1.1
97.06493	4.0
98.06023	2.1
98.97579	2.1
108.04464	2.6
108.08120	33.3
109.06501	4.0
110.06048	16.2
111.06792	1.4
112.03981	6.6
112.07611	6.2
116.98606	1.2
117.05738	1.5
118.06539	6.5
120.08091	3.2
121.06490	2.6
122.06033	82.1
123.04408	2.6
123.06800	2.5
124.07576	4.3
124.08375	1.2
126.07555	1.2
126.09133	3.2
136.07587	79.6
137.05949	2.4
138.09142	4.0
139.07538	3.5
140.07071	100.0
141.56812	1.1
154.05028	1.9
154.08636	63.1
164.07077	13.7
165.05464	2.4
182.04637	1.5
182.08139	62.0
200.09181	75.4
200.19402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.42057	1.4
53.03917	1.4
55.05512	12.9
57.03435	3.1
57.07077	10.8
58.04630	1.4
67.05501	32.1
69.03410	5.9
69.07069	22.1
69.53956	8.9
70.30342	1.7
70.95856	5.8
71.04989	3.6
71.08612	5.4
72.93766	2.7
79.05492	10.9
81.07053	50.0
83.04972	3.0
83.08622	7.5
85.06544	3.8
91.05472	2.0
93.07043	8.1
95.04973	3.3
95.08607	94.3
105.07024	5.6
107.08575	11.3
109.06514	43.0
109.10155	78.4
111.08076	4.6
111.98474	5.9
113.05980	2.3
119.08563	7.2
121.10154	12.4
123.08070	32.5
123.11690	10.0
124.08850	9.2
125.09618	3.0
127.07552	17.5
129.99506	1.4
132.95816	11.7
133.10088	5.0
135.11684	5.1
137.09615	36.3
137.13229	12.4
150.96866	5.4
151.11172	2.6
151.14821	60.9
155.10661	2.4
155.97435	8.2
161.13272	7.3
173.98477	5.7
179.10896	3.5
179.14311	100.0
197.15363	93.8
198.18535	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	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.10283	1.2
52.54192	1.2
55.05267	1.8
55.05514	19.2
57.07080	11.6
66.96229	1.2
67.05492	4.1
69.07056	2.4
71.22702	2.1
74.09726	7.9
79.05499	4.2
81.07059	3.8
83.04992	10.9
83.08620	2.3
85.06544	3.9
91.05498	2.4
93.07046	8.5
95.04960	1.5
95.08627	10.3
96.42110	1.4
97.06545	5.1
100.07626	2.8
105.07029	3.5
107.08600	15.2
109.06541	3.0
109.10161	2.3
111.04449	100.0
111.08089	2.7
113.06015	1.4
116.97199	3.3
117.07015	1.7
121.06552	2.3
121.10127	1.4
125.06001	26.5
127.07550	3.5
128.06229	1.5
129.06993	1.2
135.08043	15.9
135.11708	16.0
137.13274	1.6
138.50687	1.2
139.07536	3.0
143.08525	1.5
145.10121	14.6
153.12747	4.8
163.11205	18.2
170.67079	1.4
175.98668	2.3
181.12238	22.7
188.64250	1.3
199.11356	1.2
199.14967	1.9
199.18910	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	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01881	1.7
55.05520	5.6
55.42607	1.0
59.04996	2.6
65.03946	1.6
67.05506	6.0
68.80412	1.0
69.03445	1.3
69.07050	3.4
69.78301	6.4
70.95869	16.2
72.93800	12.6
79.05499	7.4
81.07061	12.5
83.04964	1.3
83.08643	1.3
84.08170	1.3
88.96910	2.1
90.94814	2.1
91.05486	16.5
93.07050	22.9
95.04969	10.7
95.08611	4.9
96.19344	1.1
97.06537	3.4
99.04482	2.6
105.03399	4.3
105.07037	29.1
107.04967	1.7
107.08601	64.1
109.06519	6.5
109.10166	8.8
111.98482	16.6
113.96389	2.4
114.94755	1.4
117.07043	2.0
119.04959	1.7
119.08585	9.5
121.06521	6.7
121.10213	1.9
123.04415	4.2
123.08070	2.4
123.11707	4.5
125.06008	12.5
127.03885	4.0
128.06187	1.1
129.99507	4.4
131.08560	2.4
132.95056	0.7
132.95842	38.4
133.10139	67.9
135.11705	52.1
137.05988	15.8
137.09624	6.3
138.06598	1.1
139.07500	1.5
143.08568	1.5
146.07271	1.8
150.96881	23.8
151.03940	2.3
151.07515	1.4
151.11151	6.6
155.97424	21.8
161.09634	35.3
173.98517	22.5
179.10675	100.0
197.11746	62.2
197.13457	3.2
198.18567	7.8
200.46785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03940	1.4
55.01868	1.3
55.05500	3.5
55.93520	0.6
57.03423	0.6
57.07060	1.8
59.04997	3.4
65.03931	1.0
67.05499	6.6
69.03441	1.0
69.07057	2.4
69.15488	6.7
70.95869	4.1
71.04970	0.8
71.08621	1.2
72.93782	2.1
79.05486	6.5
81.03413	1.0
81.07054	7.8
83.05001	1.1
83.08607	1.3
85.06548	0.8
91.04897	1.2
91.05476	19.4
93.07043	23.9
93.07635	1.2
95.04965	6.9
95.08616	6.6
97.06549	0.6
98.66656	0.7
103.05501	0.8
103.19678	0.6
105.07029	28.6
107.04939	0.9
107.08592	68.2
107.39893	0.6
109.06508	5.7
109.10151	9.5
111.98473	3.9
113.06007	1.2
113.96362	0.8
115.05460	1.2
117.07029	0.9
119.04963	2.7
119.06062	0.8
119.08578	8.8
121.06516	6.6
121.10126	0.9
123.04423	3.9
123.08070	0.9
123.11687	5.9
129.99501	1.1
131.04922	0.6
131.08609	2.8
132.95837	9.2
133.10130	67.6
135.08086	1.1
135.11690	54.9
137.05965	2.6
137.09615	4.9
143.08530	1.1
146.07275	2.0
150.96899	5.5
151.03899	0.7
151.07668	0.9
151.11163	6.2
155.97427	5.3
156.83075	0.7
161.09619	33.3
172.23341	0.6
173.98492	5.6
179.10667	100.0
179.17941	1.2
197.11728	73.8
198.11957	1.0
198.18536	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01888	1.7
55.05508	1.8
55.10291	0.9
57.07079	0.9
61.02926	1.6
67.05508	3.8
69.03422	1.7
69.07057	1.2
69.41154	4.8
69.41574	1.6
70.95855	5.6
71.05003	0.9
72.93777	3.2
73.02910	0.8
79.05494	6.1
81.07069	7.9
91.05473	15.5
93.06477	1.5
93.07048	18.3
95.04948	1.7
95.08615	4.8
97.06517	1.2
105.07034	28.5
107.08598	100.0
109.06531	2.9
109.10154	5.6
111.98484	7.4
113.96425	0.8
114.94793	1.5
119.04939	2.0
119.06073	0.9
119.08591	13.2
121.06482	1.6
121.10149	18.4
123.08071	1.0
123.11693	2.6
124.17741	0.7
124.31010	0.8
125.09642	1.3
129.99475	1.1
131.08568	2.2
132.95833	12.7
133.06511	1.3
133.10138	57.9
135.08041	0.9
135.11688	3.8
137.05972	3.5
137.09633	2.7
139.07538	3.3
143.08582	2.5
146.07283	1.7
149.09622	8.7
150.96901	7.3
151.03943	1.4
151.07550	3.3
151.11176	18.4
155.97430	8.6
161.09622	17.9
167.10687	26.6
173.98497	8.4
179.10680	35.8
197.11740	48.2
198.18509	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03919	1.6
55.01863	4.3
55.05509	8.2
59.04994	2.8
62.15665	1.4
67.05491	7.5
69.03393	2.6
69.07072	1.8
70.21102	1.4
70.95865	7.5
71.05067	3.2
72.93777	6.0
75.76949	1.4
79.05495	8.3
81.07050	15.5
85.69056	1.4
88.81139	1.3
91.05476	19.8
93.07045	23.4
93.27903	1.4
95.04979	7.0
95.08606	3.5
97.06512	3.4
99.04434	4.4
103.05526	1.7
105.07034	33.7
107.08593	65.7
109.06496	9.0
109.10164	7.6
111.04442	2.7
111.98465	9.0
119.06058	1.7
119.08579	9.2
121.06501	7.2
123.04406	4.4
123.11677	2.0
123.73399	1.4
125.05995	39.2
127.03915	12.0
128.06178	1.6
129.99509	3.0
131.08557	1.9
132.95822	22.2
133.10132	66.0
135.10709	2.9
135.11688	51.3
137.05977	49.7
137.09557	8.5
143.08571	3.9
146.07242	1.6
150.96881	11.7
151.11180	6.7
154.26512	1.6
155.97412	9.9
161.09615	37.6
173.98476	6.2
179.10657	100.0
197.11729	67.1
197.13145	1.6
198.18552	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.96250	0.4
52.03160	0.4
53.03942	1.0
55.01871	2.0
55.05501	0.6
57.08381	0.3
57.89806	0.4
58.30454	0.3
65.03940	2.1
65.36202	0.3
67.05508	1.8
67.35686	0.4
69.03406	0.4
69.07050	0.7
69.26475	0.6
69.26885	2.9
70.95856	3.3
72.93790	2.5
73.02919	20.2
73.23196	0.3
83.04938	0.5
91.05491	2.4
93.03393	1.5
95.04958	1.5
95.08609	0.5
98.20804	0.8
105.07014	0.6
107.08562	0.5
108.02082	2.1
109.06512	0.4
110.03657	2.1
111.04436	1.3
111.98480	4.0
113.96359	0.6
119.04967	1.5
119.08530	0.4
123.04417	0.5
123.08103	0.6
125.05993	15.8
128.46022	0.4
129.99507	0.8
132.95831	8.2
133.10120	1.4
136.01602	0.7
137.05949	1.2
141.05495	2.4
149.06012	2.9
150.96898	4.9
151.03911	100.0
151.05022	9.8
151.07445	3.5
152.04259	1.1
153.60512	0.4
155.97441	4.5
173.98476	4.6
179.07028	18.7
179.10603	0.7
179.14352	1.2
193.24167	0.4
197.06255	0.6
197.08080	4.6
197.11766	0.5
198.18527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93834	1.5
56.96573	1.4
58.03819	0.6
67.29493	0.6
69.96179	17.1
70.95862	2.1
70.96746	1.3
71.94104	5.4
72.93793	1.5
87.40200	0.6
98.97570	4.3
100.02462	0.7
110.98801	3.2
111.98495	1.4
113.00891	0.6
113.95100	9.4
113.96388	0.6
116.98611	1.6
119.01937	1.7
129.04037	0.7
129.99538	0.9
131.01924	2.3
131.96156	100.0
132.95830	4.9
132.96692	0.9
134.99689	0.6
141.95834	0.8
145.03432	1.3
147.42445	0.6
149.97208	67.1
150.96939	2.5
153.90903	0.8
154.94250	0.7
154.97746	27.7
155.01915	2.6
155.97421	1.7
167.98257	1.9
168.05196	1.0
172.98816	32.0
173.01260	1.3
173.02942	6.7
173.04442	1.1
173.06631	0.9
173.98515	2.4
174.06113	1.3
174.97667	1.7
191.04019	2.2
192.98698	1.1
196.00488	1.2
196.04623	3.4
196.16994	0.8
204.05246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03932	3.6
55.01886	8.5
55.05512	30.5
57.03427	5.7
57.07076	10.2
59.04993	2.2
63.72915	1.6
65.03931	1.9
67.05510	20.6
68.96325	2.9
69.03433	17.5
69.07070	73.2
70.06604	14.3
70.25581	1.7
70.94271	1.7
71.05000	10.7
71.49851	2.3
73.80041	1.7
79.05494	20.8
80.05122	1.6
81.03418	5.1
81.07056	51.6
83.04964	4.6
83.08618	24.5
84.08147	2.5
85.06542	11.9
85.14624	1.6
89.03915	6.9
89.06013	3.1
91.05474	7.4
93.03392	2.5
93.07044	34.9
95.04959	1.9
95.08609	79.6
97.06532	5.1
97.10177	15.8
99.08094	73.2
105.07018	7.9
107.04946	9.9
107.08592	65.3
109.02885	3.3
109.06522	3.8
109.10162	20.2
109.98927	2.7
111.04375	1.9
111.08085	31.3
111.11695	10.1
113.09635	7.8
117.03384	16.5
117.07005	2.7
119.08591	4.2
121.02885	1.7
121.06530	3.0
121.10147	92.6
123.11708	8.9
125.02327	2.5
125.05984	5.7
125.09634	49.4
127.11204	2.3
130.96220	4.4
131.08539	2.5
134.03625	3.7
135.08034	5.4
135.11685	30.0
137.09648	5.6
137.13243	30.2
139.03918	2.4
139.11243	9.1
145.02856	31.7
149.05991	9.3
149.09613	5.6
149.13258	8.5
151.03870	11.7
151.07489	1.9
153.05499	2.9
153.97867	3.0
163.03900	5.5
163.07487	3.6
167.07001	3.8
171.98927	2.3
177.05487	32.1
177.09048	2.3
177.12813	3.6
177.16385	100.0
178.16754	2.2
195.02846	6.8
195.06537	4.5
195.10170	5.3
195.13853	4.4
195.15759	2.3
195.17438	35.5
195.95595	1.8
196.17024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	7.3
55.01873	16.0
55.05509	37.8
56.96560	7.6
57.03434	9.9
57.07076	11.2
65.03938	8.9
67.05500	23.2
69.03432	24.9
69.07070	55.0
69.52129	17.7
70.06573	4.4
71.04987	13.6
71.32603	2.7
71.60852	2.5
79.05497	38.9
81.03410	17.9
81.07063	63.0
83.04980	12.5
83.08620	25.6
85.02897	13.1
85.06547	11.9
89.03923	24.7
89.06026	7.0
91.05479	26.4
93.03403	4.9
93.07047	48.6
95.04963	13.7
95.08614	84.5
97.00644	2.8
97.02912	4.6
97.06541	9.3
97.10155	14.4
98.97572	4.7
99.04471	4.2
99.08097	58.3
103.05466	12.2
105.07037	28.4
107.04960	91.2
107.08595	75.0
109.02889	5.5
109.06522	8.1
109.10143	25.5
109.98946	6.1
111.04453	8.2
111.08073	20.2
111.11730	8.6
113.09664	10.0
115.05480	9.3
117.03378	32.8
117.07036	8.2
119.01817	5.3
119.08595	11.9
121.02869	4.5
121.06509	7.0
121.10147	96.9
123.08057	4.3
123.11721	5.6
125.06017	7.1
125.09639	40.4
128.02277	3.8
130.96335	9.3
131.04939	3.1
131.08595	9.4
133.06541	3.8
133.10132	5.4
134.03645	4.3
135.04402	18.0
135.08052	25.7
135.11708	37.3
137.05965	6.1
137.09642	16.8
137.13249	29.1
139.03947	3.2
139.07564	8.7
139.11214	5.1
144.78902	2.8
145.02843	66.8
148.97345	10.4
149.02374	3.2
149.05989	19.4
149.09633	13.3
149.13278	9.4
151.03923	3.7
151.07549	5.0
153.05460	13.5
153.09157	7.9
153.97893	4.7
159.08141	2.6
159.11708	6.0
163.03893	10.2
163.07552	22.4
165.07079	3.6
167.07097	22.6
167.10753	2.8
168.08112	6.1
171.98956	4.2
177.05479	79.7
177.09015	5.1
177.12779	9.1
177.16399	100.0
180.07803	5.6
183.06046	2.9
195.02904	21.7
195.06541	8.3
195.08852	3.6
195.10268	28.2
195.13799	8.0
195.15736	4.6
195.17456	28.7
196.13347	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01871	2.2
55.05518	12.0
57.03429	1.4
57.07067	4.3
67.05503	8.5
68.96323	2.7
69.07068	27.2
70.67314	1.6
70.67663	3.1
70.94276	2.6
71.04997	7.1
75.11702	1.5
79.05500	9.4
81.03415	3.5
81.07055	36.5
83.04974	3.2
83.08622	16.3
85.06512	2.9
89.03927	4.5
89.06033	7.0
91.05493	5.3
93.07046	21.3
95.08607	64.7
97.06518	2.3
97.10159	10.7
99.08093	5.5
105.07034	4.1
107.08591	41.0
109.02898	1.8
109.06531	1.4
109.10168	10.3
109.98941	2.9
111.08062	2.8
113.09650	11.1
117.03400	7.2
119.08638	2.7
121.10142	63.6
123.11701	2.9
125.09651	6.5
130.96326	4.6
131.96164	2.0
135.04413	1.9
135.11687	14.1
137.09625	1.8
137.13260	18.0
139.11169	3.3
145.02829	10.4
148.97360	4.9
149.06017	3.9
149.13274	5.8
149.97148	1.5
163.03973	2.0
165.07019	3.7
167.08626	1.7
171.98920	2.2
177.05469	14.8
177.09081	1.5
177.16388	100.0
180.09373	3.0
195.02902	4.5
195.08434	1.5
195.10176	1.6
195.11720	5.2
195.13733	1.4
195.15671	3.5
195.17468	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	195.1382
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
51.71761	0.4
53.03936	0.7
55.01862	1.2
55.05511	14.9
57.03431	2.1
57.07084	3.9
59.04989	1.3
65.03911	0.8
65.28593	0.4
67.05502	10.5
69.03441	3.0
69.07073	11.6
69.89223	0.5
69.89532	2.4
70.06572	1.7
71.04984	2.2
71.08629	1.3
72.67143	0.4
79.05493	9.8
81.03402	1.4
81.07053	21.5
81.64601	0.5
83.04971	2.0
83.08624	4.4
83.83613	0.4
85.02919	0.8
85.06539	3.0
86.71073	0.5
89.03917	2.2
89.06018	0.6
91.05478	4.8
93.03386	0.7
93.07041	12.8
95.04965	1.5
95.08605	18.4
97.06538	2.5
97.10172	1.9
99.08094	5.8
100.45676	0.5
103.05462	0.8
105.07025	6.0
107.04967	3.2
107.08592	22.0
109.02879	0.6
109.06519	9.5
109.10154	18.5
111.04443	2.0
111.08087	4.1
111.11731	1.2
117.03375	4.0
117.07024	1.4
119.06084	0.6
119.08587	3.1
121.06512	1.7
121.10145	27.2
123.08058	7.6
123.11711	5.8
125.05991	100.0
125.09618	8.9
126.06332	0.6
127.07552	8.0
129.06966	1.2
130.96292	0.7
131.08580	2.0
133.07512	0.6
133.10109	1.4
135.04376	0.8
135.08049	7.3
135.11694	5.4
136.08844	3.2
137.05968	0.6
137.09636	1.3
137.13280	3.1
139.07553	2.0
139.11139	0.9
139.69673	0.4
144.09341	1.7
145.02846	8.1
148.97354	0.6
149.05954	2.0
149.09621	11.4
149.13252	14.5
151.07507	0.5
151.14821	4.2
153.05534	1.3
153.09105	2.7
159.11679	4.1
163.03902	1.4
165.08949	0.9
167.07086	0.6
167.08437	0.7
167.14307	10.6
177.05464	8.4
177.09120	0.5
177.12769	7.4
177.16371	8.4
181.99094	0.5
192.46437	0.4
195.02937	1.1
195.06461	0.5
195.08093	0.6
195.10204	1.5
195.13844	6.8
195.15604	0.8
195.17447	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	195.0862
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
53.03941	6.1
55.05515	2.5
57.03428	4.7
62.98257	2.5
65.03939	3.6
69.03432	7.4
70.06596	10.8
70.14395	1.7
70.71753	2.0
70.72076	3.6
71.01344	2.2
71.04977	10.4
72.04507	1.8
75.04456	2.8
79.05482	4.8
80.05003	2.6
81.03419	100.0
81.07079	2.0
81.23780	1.6
84.08133	7.1
85.02910	13.5
89.03912	11.0
89.06030	7.3
91.05494	6.2
93.03412	9.1
93.07046	3.9
94.06587	2.2
95.04970	4.0
97.02879	2.1
97.06609	1.7
98.33089	1.6
99.04457	5.4
102.05542	1.8
104.99276	2.4
107.04955	6.0
109.02882	52.7
109.98974	1.9
111.04438	5.9
113.06010	2.6
114.07342	1.7
117.03384	20.2
118.97195	5.0
120.98762	3.5
121.02913	2.0
121.06490	4.3
122.06005	2.2
125.06124	8.0
125.07104	12.0
127.03928	5.9
130.96271	3.7
132.04424	1.7
132.98730	2.1
134.06023	2.3
135.04422	14.6
141.05524	1.7
145.02852	33.7
148.97363	3.5
149.02371	2.9
149.05981	10.7
149.07033	3.0
150.05530	5.1
153.05475	13.5
153.06544	2.3
153.97929	2.3
163.03903	48.9
171.98958	2.1
177.01746	2.5
177.05452	27.2
177.06781	2.0
177.10251	3.4
178.04871	2.7
193.18433	1.8
194.98836	3.3
195.01105	3.2
195.02788	16.2
195.07651	11.8
195.11250	10.0
195.15666	1.9
196.06059	6.4
196.09680	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	195.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02427	1.9
53.03938	6.9
57.03429	6.1
59.53414	2.2
69.03432	13.5
70.71688	2.8
70.72022	3.8
71.04979	8.1
79.91473	2.0
81.03423	100.0
85.02897	8.8
89.03913	8.1
89.06030	3.3
93.07033	4.2
95.01329	3.3
95.04944	4.6
99.04435	3.6
101.00861	3.9
107.04949	4.7
109.02882	57.8
111.04443	3.8
112.83160	2.4
113.44901	2.5
117.03384	13.8
118.97248	2.6
119.01939	3.7
121.02912	3.4
121.06564	3.4
125.06046	2.4
125.07102	4.7
127.03944	4.6
134.03630	2.8
135.04407	3.3
145.02788	28.3
149.05968	9.8
150.05544	3.3
153.05499	4.2
163.03906	2.3
177.05486	30.4
195.01318	2.2
195.02841	11.7
195.07770	5.3
196.05951	3.7
202.44994	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.48568	0.5
52.89164	0.4
53.03939	0.6
53.72300	0.5
55.52303	0.5
55.76474	0.5
63.02378	0.7
65.03933	0.6
70.31123	1.7
71.56606	0.4
77.03911	0.5
78.04707	1.5
79.05487	1.1
81.03395	0.6
89.03920	26.8
91.05475	3.1
93.03394	0.7
95.04958	0.6
103.05482	1.5
106.04178	2.4
107.04952	1.0
111.08023	0.5
117.03382	52.8
121.06515	1.4
122.13914	0.6
131.04881	0.7
134.03632	6.7
135.04417	4.8
140.94044	0.5
145.02847	89.2
146.03244	0.7
149.05986	23.8
153.05478	1.1
162.03143	2.1
163.03925	7.9
177.05475	100.0
195.06529	1.0
199.29863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71662	1.4
62.97952	2.3
62.98260	36.4
70.23692	5.5
83.62620	1.4
86.98241	2.9
102.97707	12.9
104.99271	22.3
118.97184	100.0
119.31472	1.4
120.98743	36.9
132.98746	9.9
148.98184	3.4
158.96660	4.8
169.07767	1.6
176.97673	2.2
184.55626	1.5
194.98767	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	0.8
54.97819	0.5
55.20607	0.6
65.03936	0.8
65.97314	0.6
70.75405	1.5
78.04705	1.1
79.05510	0.8
81.03380	0.7
89.03919	26.7
89.05987	0.7
91.05476	2.2
93.03388	1.0
93.06998	0.9
95.04977	0.9
99.99448	0.6
103.05470	0.9
105.03349	0.8
105.07061	0.8
106.04178	2.1
106.07372	1.3
107.04975	1.1
114.04677	0.5
117.03383	56.2
119.04937	0.8
121.06488	1.8
130.33313	0.5
134.03641	8.6
135.04402	4.7
145.02847	92.4
146.03185	0.7
149.05989	22.5
149.09436	0.5
153.05484	1.5
162.03139	1.8
163.03922	9.5
177.05476	100.0
178.05867	0.9
195.02966	1.3
195.06499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	1.0
55.01868	0.8
55.05507	0.6
57.03428	0.6
63.02365	0.5
65.03941	1.1
67.05503	1.1
68.96337	0.8
69.03437	0.7
70.06577	0.6
70.94101	1.1
78.04704	1.0
79.05489	2.8
81.03418	2.1
81.07067	1.3
83.04987	0.9
83.08618	0.5
84.08144	0.5
85.02917	1.5
89.03919	27.8
89.06036	1.0
91.05480	4.3
93.03394	1.3
93.07047	2.3
95.04971	1.1
95.08614	1.3
103.05470	1.5
105.03425	0.5
105.07045	1.3
106.04185	3.2
107.04955	1.5
107.08627	2.3
109.02882	0.8
109.06510	0.8
109.98925	0.5
111.04440	1.2
111.08078	0.9
117.03384	55.1
121.06508	2.1
121.10129	1.1
123.08064	0.5
124.05209	0.6
125.06004	1.6
125.06970	0.5
129.04471	0.4
130.96298	1.4
131.08601	0.7
134.03644	7.6
135.04404	4.9
135.08054	0.9
135.11670	1.5
137.06038	0.5
137.09595	1.8
139.07578	0.6
145.02850	94.5
146.03207	0.6
148.97311	0.7
149.05988	22.9
149.09615	1.4
153.05473	3.1
153.97865	0.6
162.03168	2.2
163.03920	9.1
165.09140	0.5
167.07025	0.4
171.98962	0.9
177.05476	100.0
177.12753	1.0
178.05820	0.8
186.05527	1.3
195.02907	3.4
195.06456	2.0
195.08498	0.5
195.10094	0.7
195.13802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05515	0.7
57.03439	0.8
57.67861	0.6
65.03963	0.6
67.05524	0.6
69.07081	0.8
69.63803	3.7
78.04716	0.8
79.05513	1.4
81.03410	0.7
81.07028	0.9
85.02915	2.0
89.03919	27.8
91.05472	3.2
93.03419	0.7
93.07037	1.6
95.04984	0.9
95.08607	1.5
99.05585	0.8
103.05476	1.5
106.04176	2.0
107.04955	0.7
107.08624	1.6
111.04451	0.6
111.05553	2.9
117.03383	55.3
121.06517	1.4
125.05980	1.8
125.07119	1.4
126.05458	1.0
126.55283	0.6
134.03635	8.6
135.04413	3.9
135.11673	2.2
137.09605	2.0
139.05025	2.8
145.02850	89.6
149.05988	20.5
153.05528	1.8
162.03131	2.4
163.03900	7.6
177.05475	100.0
178.05844	0.7
179.93643	0.6
195.02994	3.6
195.06483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1177
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
53.03958	0.8
55.01884	0.7
56.05045	1.1
56.96559	0.7
58.06614	2.8
65.03959	2.4
67.05516	1.7
68.05051	1.1
68.96348	0.7
69.03441	2.0
70.06609	4.0
70.40386	1.3
70.40754	1.1
71.99329	0.7
74.02433	0.6
77.34373	0.6
79.05507	5.6
80.05028	1.9
81.03426	2.1
81.07084	2.6
82.06602	0.8
84.08115	1.2
86.06116	0.7
86.09725	1.0
87.04462	1.5
89.03922	1.4
91.05494	2.6
92.05022	0.9
93.03420	1.0
93.07067	2.7
95.04990	1.0
96.04552	1.2
96.05296	0.6
97.02871	0.8
98.06065	0.8
102.05542	4.7
103.05478	10.6
105.07040	5.5
106.06548	1.9
106.07323	0.8
107.04960	7.3
107.08582	0.9
108.04509	1.3
108.08138	0.8
109.02899	0.8
110.06040	1.0
117.03413	3.4
119.04926	0.8
120.04516	1.5
120.08107	3.5
121.02847	0.8
121.06508	1.4
121.08470	1.8
130.96304	0.7
131.04927	6.0
131.08589	0.9
132.08061	1.1
133.08887	9.4
133.09998	0.7
134.06010	1.3
134.09639	1.0
135.04402	1.1
136.07561	3.2
138.05525	1.5
138.09174	1.0
139.03815	0.6
145.02850	6.4
148.07588	2.8
148.11215	100.0
148.97420	1.2
149.02303	0.9
149.05983	5.2
149.09668	0.8
149.11653	1.2
150.05498	0.9
152.07095	0.9
153.05493	1.0
153.97960	0.8
163.03873	1.2
164.07086	2.9
166.04909	2.9
166.08629	3.4
166.12263	1.2
170.91415	1.7
171.99023	0.9
176.03423	11.5
176.07068	1.4
176.10725	1.5
177.05432	7.2
178.08632	0.7
187.51540	0.7
188.92505	3.1
192.10153	1.2
193.93002	1.2
194.04472	9.7
194.06259	1.0
194.08031	5.8
194.10353	1.5
194.11765	43.6
194.15329	9.5
195.02881	0.7
211.94078	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.32007	0.8
51.52943	0.7
53.03935	1.9
55.01862	0.9
55.05508	10.3
55.08435	0.8
56.47776	0.8
57.07060	2.8
58.30262	0.8
59.04988	1.7
59.48965	0.6
65.03938	0.9
67.05502	9.4
69.07068	24.2
70.90123	0.7
71.04988	17.3
71.23882	1.4
79.05484	7.9
81.03410	2.2
81.06585	1.5
81.07056	22.6
83.04954	2.1
83.08621	4.0
85.06540	12.3
91.05482	8.3
93.07041	24.7
95.04967	34.3
95.08608	21.3
97.06519	3.5
97.10178	8.9
98.80225	0.7
99.08082	4.9
103.05477	1.0
105.07029	14.4
107.08593	33.0
109.06516	100.0
109.10149	14.6
111.04424	1.1
111.08080	5.9
111.11726	3.8
119.08579	26.8
121.10133	10.4
123.08073	7.7
123.10825	1.6
123.11695	19.8
128.98622	1.1
133.02858	2.0
133.06503	1.1
133.10127	23.4
135.11688	34.3
137.09619	11.5
146.97449	2.5
147.08058	1.5
147.11697	4.1
149.02325	2.6
149.13251	9.3
151.11166	7.3
151.14853	1.4
161.05962	1.5
169.99107	1.8
175.14822	42.1
176.15251	0.8
178.07765	0.8
193.04935	5.4
193.08606	1.2
193.10301	1.8
193.12250	3.4
193.15881	67.3
194.15315	1.0
205.95175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
54.41869	2.0
55.01863	6.8
55.05512	41.0
57.03432	3.7
57.07064	7.4
58.46025	1.8
59.05009	2.1
60.62188	2.3
61.74529	2.2
61.89177	2.7
65.03931	3.7
67.05508	59.7
69.03449	11.3
69.07069	29.3
70.06591	7.4
70.29329	1.9
71.04986	7.8
71.49219	2.7
71.49652	3.8
77.46085	1.8
79.05497	24.4
81.03418	12.4
81.07063	56.2
83.04984	50.8
83.08629	11.7
84.77374	1.9
85.02923	3.7
85.06541	23.8
91.05491	28.9
93.07057	40.7
95.04980	16.9
95.08611	65.1
97.02907	8.6
97.06538	6.0
97.10199	2.6
99.08099	65.3
103.05475	6.1
105.07035	54.0
106.07387	2.3
107.04971	5.0
107.08597	47.8
108.08898	2.3
109.06510	20.7
109.10163	94.8
110.10513	2.2
111.08094	10.4
115.05463	4.8
117.07018	4.4
118.06567	3.5
119.04878	2.8
119.08588	63.1
121.06544	4.0
121.10142	27.3
123.04440	3.8
123.08070	23.1
123.11726	17.7
125.09608	3.7
126.57568	2.4
129.05482	3.2
129.07028	4.6
130.06578	3.3
131.08594	8.0
133.02899	6.0
133.06502	14.6
133.09151	5.3
133.10135	72.3
133.11105	4.3
134.10484	3.9
135.08104	4.4
135.10788	3.8
135.11696	62.0
136.07591	8.5
136.11182	2.6
137.05992	5.3
137.09618	61.8
145.10132	3.4
146.06038	13.2
146.97464	7.1
147.04420	3.8
147.08069	7.9
147.11697	22.7
148.07558	5.5
149.02399	3.7
149.09641	3.0
149.13281	7.3
151.03943	2.8
151.07538	3.2
151.11156	16.4
151.14841	7.9
161.05923	7.9
165.05478	3.9
165.09192	3.5
165.12776	6.0
165.16541	2.9
175.03920	4.1
175.07693	2.8
175.11272	9.7
175.14867	56.2
178.02675	5.0
193.04962	29.4
193.06621	3.6
193.08504	11.0
193.12280	9.1
193.15929	100.0
194.08202	3.0
194.15515	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.03419	1.1
53.03934	4.6
55.01865	4.7
55.05512	44.6
57.03429	2.6
57.07075	3.6
59.04996	3.4
65.03934	2.9
67.05508	27.7
68.30981	1.1
69.03429	5.9
69.07069	24.5
69.27446	11.2
70.06585	4.2
71.04996	6.2
79.05492	24.5
81.03407	3.6
81.06594	2.5
81.07059	51.9
83.04983	100.0
83.08612	6.1
85.06541	6.2
91.05490	13.6
93.07049	23.6
95.04972	9.3
95.08604	27.6
97.02885	2.7
97.06531	3.7
97.10155	2.7
99.08089	9.6
103.05480	3.3
105.04480	1.6
105.07029	31.2
107.07889	1.6
107.08595	29.4
109.02891	1.4
109.06519	14.4
109.10165	42.4
111.04495	1.3
111.08077	6.1
111.11745	2.7
115.05483	3.9
117.07043	2.1
118.04190	1.7
118.06518	2.3
119.04981	1.2
119.08579	34.6
121.10142	12.4
123.04465	1.3
123.08068	15.6
123.11727	10.2
125.09640	2.2
130.06493	2.0
131.08556	1.8
132.05740	1.2
133.02869	3.6
133.06496	13.5
133.09135	2.5
133.10132	31.1
135.08035	2.3
135.11690	28.0
136.07607	2.3
137.05943	2.8
137.09616	28.8
145.10117	1.9
147.04404	2.5
147.06290	1.9
147.08063	1.9
147.11708	10.6
148.07617	2.7
149.02347	1.7
149.05994	1.3
149.09592	1.2
149.13219	5.8
150.03055	1.7
151.11169	7.5
157.10170	1.5
161.02432	1.2
161.06076	9.6
165.05455	1.9
165.08952	1.6
165.16377	1.8
175.03888	3.7
175.11209	3.6
175.14841	26.3
178.02580	2.7
193.04965	20.2
193.06836	1.8
193.08603	8.7
193.10168	1.2
193.12233	5.2
193.15880	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
54.59687	0.9
55.05494	2.7
57.03421	1.4
57.07065	1.7
59.82084	0.9
66.15694	0.8
66.66978	0.9
67.05518	4.8
68.52464	1.0
69.03398	1.1
69.07057	3.3
69.23566	0.9
70.89238	1.1
70.89582	1.9
71.04992	100.0
75.05029	0.9
75.73689	0.9
76.52747	0.9
79.05477	3.5
81.07052	9.2
83.04993	1.1
83.08633	1.2
87.08079	0.9
87.93851	0.9
91.05482	3.0
92.72265	1.0
93.07042	6.2
95.04958	2.3
95.08595	6.3
103.05465	1.2
105.07032	17.9
107.08592	9.4
109.06504	3.7
109.10149	7.7
111.08073	1.1
115.05431	1.8
119.08583	10.6
121.10140	16.2
123.08047	3.2
123.11702	12.9
131.08559	2.3
133.02815	1.0
133.06522	6.8
133.10135	13.4
135.11702	5.2
137.09598	3.1
146.10933	1.4
146.97652	0.9
147.11639	4.7
149.13266	1.8
151.03912	1.8
151.11166	12.8
161.06030	6.8
165.12746	3.6
175.14821	22.2
188.01878	1.0
193.05000	3.8
193.08607	4.2
193.15881	80.8
194.16194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05503	3.0
57.03458	1.1
57.07069	1.4
59.04992	1.0
67.05523	5.7
69.07049	3.3
70.06565	1.0
70.39838	1.1
70.40204	3.1
71.04997	100.0
72.04518	6.7
79.05490	5.2
81.03407	2.8
81.07066	13.0
83.04966	3.3
91.05479	8.6
93.07057	5.9
95.04961	2.3
95.08615	6.5
97.06540	1.2
98.21106	1.9
99.08105	1.7
103.05459	3.2
103.06080	0.9
105.06403	1.8
105.07034	22.1
107.04967	1.8
107.08596	11.6
109.06524	5.1
109.10150	6.7
115.05464	2.3
118.04128	1.4
119.08595	12.3
121.06425	0.9
121.10146	15.3
121.33362	0.9
123.04446	1.3
123.08056	3.5
123.11703	12.9
131.08572	2.5
133.02855	2.1
133.06502	7.7
133.10144	14.2
135.11707	5.6
137.09607	4.3
141.23285	1.0
147.11687	4.8
149.13248	2.4
151.03920	2.1
151.07558	1.2
151.11174	11.6
151.14841	1.4
157.10065	1.2
161.06059	7.0
165.09062	1.2
165.12756	3.4
175.11200	3.6
175.14853	17.5
193.04912	5.0
193.08595	4.1
193.12231	7.6
193.15895	77.2
194.16246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03947	3.5
55.05513	23.1
57.07059	7.2
65.17371	2.4
67.05501	29.5
69.03442	14.8
69.07067	23.2
69.40787	21.5
71.04984	5.1
79.05497	9.2
81.07051	38.8
83.04976	21.0
83.08627	14.6
85.06546	4.2
88.16824	2.6
91.05468	9.2
93.07040	24.8
95.04958	3.6
95.08606	72.5
97.06510	3.3
99.08057	3.0
105.07040	18.3
107.08591	53.6
107.49279	2.5
109.06526	19.0
109.10154	94.9
109.28387	2.6
111.08069	10.6
119.08575	64.1
121.10152	39.1
123.08054	48.4
123.11688	7.6
125.09621	3.7
133.10130	55.7
135.11691	100.0
137.09616	36.1
138.10365	3.1
145.10120	3.9
147.11668	5.3
149.13258	25.1
151.11221	13.0
151.14819	9.5
165.16396	4.8
175.14812	55.3
175.56229	2.6
193.15877	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03950	1.9
55.01876	2.0
55.05514	23.0
57.05227	1.4
57.07067	7.9
59.04985	1.8
65.03925	1.8
67.05183	2.1
67.05507	27.4
69.03429	13.6
69.07071	24.8
71.04978	4.3
71.08879	2.9
79.05489	10.1
81.03429	2.6
81.06597	3.0
81.07057	38.8
83.04990	30.6
83.08627	14.4
85.06544	5.9
91.05484	12.0
92.06669	1.6
93.07055	24.9
95.04976	4.6
95.08617	58.5
97.06562	4.6
97.10204	2.6
99.08092	4.0
105.07032	28.5
107.04875	1.9
107.08601	50.2
109.06519	20.7
109.10160	89.2
111.08094	9.5
115.05435	1.8
117.07025	2.5
119.08586	59.6
121.09338	3.2
121.10146	36.5
123.08067	52.5
123.11697	14.7
125.09608	3.3
131.08514	2.1
133.02815	2.4
133.06497	5.5
133.10136	44.6
135.11696	85.6
135.92357	1.7
137.09628	34.3
138.10384	7.0
141.01949	1.8
147.11674	7.6
149.13258	18.3
151.03992	1.9
151.11194	15.1
151.14801	8.9
153.03191	1.7
161.06003	5.8
165.16452	4.2
175.14828	45.4
193.04961	5.8
193.08603	2.2
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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.34166	1.8
53.03943	5.4
55.01864	4.7
55.05514	49.7
56.41451	1.7
57.07063	4.7
59.04999	2.9
67.05506	43.0
69.03417	5.9
69.07066	24.7
69.84435	3.3
69.84846	6.7
70.06591	4.1
71.04993	4.6
79.05495	28.0
81.03413	2.6
81.06590	3.7
81.07059	60.1
83.04983	100.0
83.08624	7.4
85.06539	14.0
91.05487	19.8
93.03438	2.4
93.07051	31.2
94.06551	1.8
95.04985	9.6
95.06882	3.4
95.08609	45.4
97.06528	4.6
98.21445	2.2
99.08085	20.0
100.01180	1.8
100.06734	2.0
103.05466	6.1
103.14408	1.9
104.05010	1.8
105.04569	1.8
105.07040	61.1
106.07310	2.0
107.08592	35.6
109.06519	16.5
109.10163	68.3
111.08083	7.5
111.11716	3.1
115.05431	5.7
118.04118	4.6
118.06506	2.9
119.04941	2.2
119.08578	40.8
120.08082	1.9
121.10155	14.5
123.08084	17.3
123.11678	9.0
125.09649	3.0
130.06529	2.8
131.08589	3.4
131.70538	2.0
133.02867	3.9
133.04814	3.0
133.06493	28.6
133.10135	36.8
135.08026	3.2
135.11705	38.7
136.07629	8.9
137.05946	2.3
137.09615	40.4
139.08636	2.2
143.06035	4.4
146.05992	6.5
147.04434	4.5
147.06361	13.3
147.08037	4.5
147.11687	10.9
148.07573	2.4
149.13255	5.0
151.07520	2.6
151.11200	5.7
151.14801	2.8
161.06064	35.3
165.05510	2.6
175.03928	4.0
175.05865	4.3
175.07404	2.7
175.11176	2.2
175.14819	34.6
186.65839	1.9
193.05060	15.2
193.06830	4.6
193.08629	8.7
193.12177	4.3
193.15889	63.8
193.17657	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.98659	2.3
53.03940	3.8
55.01851	2.6
55.05322	1.9
55.05512	24.1
57.03428	4.2
57.07058	6.9
59.04995	4.2
60.00454	2.2
67.05504	33.8
69.03428	14.0
69.07067	29.7
70.06591	3.0
70.95280	5.3
71.04974	6.3
79.05497	17.9
80.40946	2.3
80.76341	2.4
81.03408	9.1
81.07062	43.8
83.04987	24.8
83.08617	11.7
83.74874	2.8
85.06529	4.3
89.20419	2.3
91.05475	18.6
93.07047	30.5
95.04960	11.0
95.08608	69.8
97.06517	10.0
97.10180	2.9
98.03220	2.2
99.08088	5.0
99.64034	2.5
105.07034	42.5
107.04962	2.9
107.08595	59.8
109.06519	27.1
109.10156	78.7
111.08070	8.6
115.05403	3.0
118.04052	2.8
119.08592	68.7
121.10141	40.1
123.08067	48.8
123.11711	18.0
125.09625	3.6
133.02829	4.9
133.06494	15.1
133.10132	60.8
135.11691	100.0
137.09628	30.6
138.10338	3.3
142.07843	2.4
143.06126	2.9
146.05948	2.3
147.11681	8.4
148.29097	2.2
149.02316	3.7
149.13266	18.7
151.11203	13.8
151.14824	7.2
161.06055	12.3
165.16481	3.0
174.16719	2.4
175.11334	3.0
175.14842	62.3
189.63377	2.6
193.04951	7.2
193.08609	8.5
193.12207	7.0
193.15898	99.4
194.16118	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03940	5.3
55.01877	5.0
55.05513	11.9
57.03437	61.5
57.07057	1.1
65.03933	4.2
65.08479	0.9
67.05500	21.4
67.24586	0.8
69.03422	3.8
69.07070	9.3
70.06602	2.1
71.05000	3.5
71.42546	1.0
71.49866	1.6
79.05072	1.8
79.05489	24.1
81.02995	1.1
81.03425	13.4
81.07053	19.2
83.04980	6.7
83.08607	2.2
85.02927	1.0
85.06541	6.2
87.04451	1.3
91.04899	1.9
91.05481	51.3
93.07042	51.5
95.04964	17.0
95.08609	16.6
97.06557	6.4
98.98523	1.1
99.08102	9.1
99.42262	1.1
102.59793	0.9
103.05474	12.5
104.06251	1.5
105.04511	2.7
105.07029	100.0
107.04946	3.8
107.08592	17.6
109.06515	16.3
109.10159	23.4
111.04437	1.6
111.08073	2.7
115.05444	13.4
117.07007	8.4
118.04169	6.4
118.07794	1.1
119.04988	2.2
119.08579	84.1
120.09071	1.1
121.02877	1.2
121.06506	39.6
121.10128	7.1
123.04440	4.5
123.08075	9.2
123.11720	2.7
128.96344	1.0
128.98543	1.1
129.07001	5.3
131.04906	2.9
131.08549	6.3
133.02824	5.0
133.06493	46.9
133.10126	49.4
134.10423	1.2
135.08055	6.1
135.10733	1.3
135.11682	12.0
137.05957	4.2
137.09612	39.0
137.13283	1.7
142.07803	6.1
143.05014	1.1
143.05995	4.5
145.06491	1.7
145.10106	2.6
146.06168	1.2
146.07268	5.3
146.08296	0.9
146.97427	7.2
147.04408	3.4
147.08044	13.5
147.11682	38.5
148.03979	1.2
149.02437	4.8
149.03453	1.6
149.09604	6.5
149.13278	3.4
151.07518	2.3
151.11189	3.7
157.10123	10.1
160.08786	5.2
161.05978	44.4
165.05464	1.2
165.06885	1.3
165.12737	4.8
169.99022	2.7
175.11177	39.3
175.14798	11.8
176.03549	1.2
178.02626	3.8
178.07866	1.8
193.04956	16.7
193.06613	1.7
193.08551	15.3
193.10213	1.7
193.12241	30.6
193.15872	14.4
194.04597	1.1
194.08186	1.1
194.11964	1.0
194.15366	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	193.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47612	0.2
55.01847	0.4
56.05031	0.3
56.96548	0.5
57.03441	0.2
65.03950	0.3
67.05477	0.4
69.03421	0.8
69.07060	0.2
70.06586	2.5
71.21223	0.4
71.21564	0.3
76.02232	0.3
79.05481	0.3
83.04996	1.1
85.02909	0.3
86.09727	0.2
91.05484	1.0
93.03393	0.3
95.04964	1.0
98.97607	0.4
103.05441	0.5
105.07030	0.4
108.99751	0.2
110.07132	0.4
111.04465	1.4
111.64844	0.2
116.01759	0.3
118.06548	1.3
119.04945	0.3
119.08552	0.3
120.08062	0.3
128.04965	4.0
129.05481	1.2
129.06976	0.3
130.06511	1.6
132.04453	0.6
133.01051	0.2
133.02971	0.3
133.06454	0.5
134.06023	0.2
134.10956	0.3
136.06165	0.8
136.07495	0.3
137.05936	0.3
139.03886	0.4
146.06006	100.0
147.04391	0.5
147.06393	1.9
148.03931	2.0
148.07597	1.1
150.01326	0.6
158.06009	1.2
161.00603	0.4
161.06021	0.3
170.03046	0.3
175.03848	0.2
175.08719	2.3
176.05557	0.3
176.07072	5.5
178.00841	0.8
193.03201	1.1
193.04971	1.1
193.09731	4.0
194.08141	0.7
194.11768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
56.05843	0.2
57.16081	0.2
57.88082	0.2
59.52271	0.2
67.05478	0.2
69.07030	0.3
69.28446	1.8
81.06998	0.2
83.06104	0.3
83.08575	0.4
84.08933	0.3
86.09671	0.9
91.05460	0.5
92.04964	0.4
93.07035	0.3
95.04952	0.3
96.08903	0.2
101.17678	0.2
105.04511	0.5
105.07011	0.7
106.07330	0.8
107.08601	0.3
108.08890	0.5
109.10084	0.3
110.07204	1.5
110.10468	0.4
114.05574	0.2
118.06514	0.4
118.07300	0.2
119.08566	0.3
120.08899	0.3
121.06510	0.4
122.10417	0.4
132.05579	3.1
132.08916	0.7
132.95813	0.4
133.06387	0.5
133.10091	0.6
134.10469	2.1
135.05525	0.5
136.08411	0.3
146.06012	0.8
146.10362	0.3
148.07521	0.4
150.13608	0.5
150.96919	0.4
159.11273	0.4
160.05064	100.0
161.05347	0.4
161.07869	0.5
164.07025	0.3
174.13667	1.2
192.02919	0.4
192.07709	17.2
192.14778	1.4
192.17427	0.3
193.05052	0.3
193.08080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05359	1.3
53.03941	2.4
55.05515	18.5
57.07061	6.3
58.71629	1.3
67.05505	18.7
69.03412	1.9
69.07069	42.0
71.49690	1.9
79.05498	20.7
81.07059	23.6
83.08611	16.3
85.06521	1.4
90.54360	1.3
91.05474	13.5
91.06708	1.3
93.07045	52.0
95.04918	2.1
95.08614	87.4
97.10175	13.4
105.07044	13.3
107.08595	70.0
109.06542	2.2
109.10163	49.1
111.11703	1.7
117.06982	3.9
117.58591	1.5
119.08578	7.4
121.06513	2.5
121.10150	96.2
123.08070	1.7
123.11724	9.6
131.08556	5.1
133.10109	6.1
135.08075	10.6
135.11700	69.7
145.06453	1.6
145.10114	7.3
146.06023	2.1
147.11716	4.0
149.05959	1.8
149.09543	3.6
149.13272	17.1
158.12486	1.3
160.07616	1.8
163.11205	4.1
163.14867	3.6
173.09596	3.3
173.13344	6.9
174.01855	2.6
176.08315	2.4
191.03270	1.9
191.06976	4.9
191.08797	2.0
191.10646	17.5
191.14343	18.2
191.17953	100.0
191.36008	1.4
192.06555	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.39752	2.0
52.47170	1.7
53.03943	2.7
55.05515	19.7
57.07063	8.0
66.64442	1.8
67.05502	22.9
69.07070	44.8
69.63355	13.9
79.05493	19.0
81.07057	28.6
83.08623	25.6
91.05470	11.5
93.06490	4.2
93.07047	57.8
95.04967	2.9
95.08607	78.4
97.10178	11.9
102.65594	2.1
105.07025	11.3
107.08590	68.2
109.10157	69.0
109.34384	2.2
111.11684	3.3
117.03355	2.3
117.07005	2.8
119.08585	4.1
121.10149	94.7
123.11720	9.7
131.08574	6.0
133.10133	6.0
135.08038	6.0
135.11696	74.5
145.10097	2.4
146.06020	3.8
147.11681	3.1
149.13266	20.7
160.07513	4.7
163.14940	2.6
167.60608	2.0
173.09622	4.8
173.13298	4.8
176.08398	3.0
177.07892	2.1
191.10632	15.0
191.14296	11.5
191.17952	100.0
192.06526	2.7
192.10172	2.4
192.17424	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03947	4.2
55.05516	23.8
56.43256	1.5
57.07063	4.7
67.05513	20.1
69.07071	46.8
71.04978	1.7
71.50188	1.9
71.50583	1.8
79.05497	23.7
81.07058	27.8
83.04961	2.4
83.08608	17.7
89.82285	1.6
91.05476	14.5
93.07043	58.5
95.04957	4.1
95.08609	83.6
96.88614	1.4
97.06533	2.7
97.10170	11.6
105.07013	15.0
107.04947	2.0
107.08595	73.4
109.06501	3.4
109.10158	50.6
111.04462	1.7
111.11726	2.3
117.07022	3.4
119.08593	8.0
121.06492	3.5
121.10147	90.6
123.08088	4.5
123.11711	13.7
131.08560	8.0
133.10127	7.5
135.08063	13.1
135.11693	75.0
145.06474	2.7
145.10124	7.3
146.06001	2.7
147.07999	1.8
147.11708	3.7
148.07588	2.4
149.09674	3.0
149.13254	16.3
151.38348	1.7
158.10902	2.2
160.07564	2.8
161.05998	1.8
163.03918	1.6
163.11182	6.0
163.14839	3.9
173.09619	4.2
173.13254	6.5
174.01898	3.6
176.08340	5.0
191.03284	2.8
191.06964	3.5
191.08600	2.7
191.10632	29.4
191.14322	22.1
191.17955	100.0
192.06573	2.5
192.20380	1.5
202.01228	1.6
204.00015	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01867	3.9
55.05500	9.0
57.07061	4.8
65.03934	2.7
67.05503	11.4
69.03435	17.2
69.07067	14.9
70.03336	10.2
71.04989	4.1
71.51485	2.1
79.05489	33.3
81.07060	32.7
83.04971	8.9
83.08616	4.6
85.06539	4.1
91.05481	28.1
93.03377	2.9
93.07041	27.2
95.04960	9.4
95.08599	15.3
97.06525	6.7
98.20832	3.2
103.05485	6.4
105.07029	38.9
107.04958	21.2
107.08592	62.8
109.06527	10.4
109.10152	19.6
111.08064	4.1
115.05434	3.8
116.06170	2.8
117.07007	7.0
119.08586	15.3
121.06502	11.6
121.10133	30.0
123.08069	7.2
123.11707	7.8
129.06990	4.2
131.04922	5.6
131.08551	29.5
133.10124	66.3
135.04399	4.8
135.08055	26.8
135.11684	7.0
137.09612	7.6
141.15865	1.9
141.78807	2.2
143.08591	4.3
145.10135	18.9
147.08014	2.7
147.11685	14.4
148.05122	3.1
149.05933	3.2
149.09624	20.6
149.13240	16.2
158.10893	10.4
161.09528	3.6
163.03867	5.4
163.07526	5.7
163.11224	5.6
163.14819	6.5
173.09685	3.6
173.13266	38.3
176.04689	2.6
191.03421	7.6
191.06924	12.8
191.10674	7.8
191.14313	100.0
191.17987	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	3.3
55.01855	2.6
55.05495	5.0
57.03419	2.1
57.07062	1.7
57.84501	1.5
61.95400	1.6
64.39315	1.8
65.03937	1.7
67.05508	28.0
69.03409	6.0
69.07068	11.4
70.84045	3.5
71.04652	2.4
71.04996	24.3
79.05493	13.9
81.07059	13.6
83.04967	4.3
83.08582	3.1
85.06533	9.0
91.05479	23.1
93.07058	15.6
95.04974	14.6
95.08611	14.6
97.06514	6.9
98.31985	1.7
103.05456	3.4
105.07033	36.1
107.08595	46.9
109.06508	25.4
109.10160	84.8
111.08073	4.5
113.22764	1.8
115.05408	4.6
117.07009	7.8
119.06059	1.5
119.08576	18.7
121.06507	7.2
121.09339	2.6
121.10149	38.8
123.08065	17.1
123.11701	3.6
127.00919	1.6
129.06979	2.9
130.07748	2.2
131.04916	2.0
131.08568	47.7
133.10132	38.6
135.08055	77.9
143.08546	6.0
144.09387	2.5
145.10110	15.2
147.08046	2.5
147.11707	18.9
148.08824	2.1
149.09625	16.3
149.13237	14.2
150.10416	5.0
158.10925	13.1
161.09531	3.0
163.11192	2.2
163.14906	2.3
173.13272	54.9
176.11938	2.8
179.91144	1.7
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
53.03930	1.5
55.01873	2.4
55.05498	6.2
57.07067	2.6
67.05230	1.2
67.05508	11.5
69.03436	12.8
69.07067	12.8
70.03246	2.8
70.03635	4.0
71.04979	1.9
77.59124	1.4
79.05507	10.5
81.07067	13.9
81.39445	1.5
83.04971	7.4
83.08611	3.1
85.06531	3.1
91.05480	14.0
93.07042	16.8
94.74369	1.7
95.04981	13.3
95.08604	19.6
97.06535	7.8
98.55804	1.3
103.05456	3.0
105.06316	1.6
105.07028	26.1
107.04932	7.0
107.08601	38.7
109.06509	12.0
109.10182	8.0
111.08080	2.1
116.06236	1.6
117.07005	4.0
118.04182	1.6
119.08574	11.2
121.06509	18.4
121.09330	2.4
121.10148	27.7
123.08064	8.7
123.11710	1.3
129.06999	2.3
130.07773	1.9
131.04977	2.0
131.08580	24.5
131.44644	1.4
133.06490	1.3
133.10129	45.0
135.04469	2.1
135.08063	24.0
135.11664	7.7
143.08551	4.2
145.10121	13.4
147.08046	3.5
147.11699	18.6
148.08815	5.6
149.09636	17.1
149.13268	18.2
158.10878	9.0
161.09622	1.6
163.03899	3.4
163.07538	1.9
163.14787	5.5
173.13272	35.8
176.11932	2.2
191.03404	3.9
191.06966	1.8
191.10701	3.0
191.14311	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05498	4.5
57.03424	1.5
66.89602	1.3
67.05490	5.5
69.03428	14.1
69.07069	9.9
71.04990	2.3
71.29287	2.6
79.05483	8.9
81.07053	17.3
83.04990	6.7
83.08614	2.0
85.06547	2.5
91.05476	14.0
93.07043	17.9
93.07586	2.3
95.04973	4.6
95.08599	9.9
97.06514	3.4
103.05442	1.8
104.67085	1.1
105.07028	26.9
107.04948	3.4
107.07890	2.2
107.08595	40.1
107.09310	2.3
109.06515	5.3
109.10142	6.2
111.08044	1.9
115.05495	1.1
117.07009	4.9
119.08590	14.7
121.06490	7.8
121.10149	22.2
123.08077	3.8
123.11692	1.2
129.06969	2.3
131.08565	21.4
133.09125	2.5
133.10133	47.4
135.08054	14.1
135.11684	5.9
143.08527	6.1
144.09351	1.8
145.10156	10.5
147.11687	13.7
149.09639	10.0
149.13257	14.1
158.10936	7.5
160.07608	1.8
161.09576	2.4
163.11200	2.4
163.14839	7.7
173.13261	31.6
191.14302	100.0
200.60052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03953	1.6
55.05509	3.6
55.05746	0.6
57.03437	1.5
57.07065	0.9
63.72816	0.5
65.03957	0.4
67.05504	5.5
69.03038	0.7
69.03425	14.7
69.07064	5.4
70.62913	1.0
71.04980	1.0
71.30499	0.4
71.77486	0.5
79.05490	11.9
81.03394	0.8
81.07053	11.4
83.04979	2.8
83.08632	1.1
85.06521	0.4
87.84079	0.5
91.05476	8.9
93.07046	8.0
95.04974	1.4
95.08608	5.2
97.06514	0.7
103.05479	1.8
105.07027	14.9
105.07693	1.0
107.04958	6.0
107.08592	25.8
109.06535	2.4
109.10155	8.8
114.04140	0.4
115.05457	1.2
117.07019	2.5
118.07791	0.8
119.08579	5.3
121.06475	2.5
121.10139	18.1
122.07302	2.0
123.08073	2.5
129.07025	0.6
131.08556	9.7
133.10126	100.0
134.10744	0.5
135.08067	5.7
135.11673	2.7
137.09612	13.2
143.08548	3.0
144.09349	1.7
145.10136	5.0
147.11673	4.5
149.09636	4.2
149.13257	12.7
150.02739	0.5
158.10905	6.3
163.11227	0.6
163.14813	3.4
173.13261	18.4
191.03362	0.6
191.14304	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76456	1.1
55.01865	1.5
55.05494	4.8
55.36346	1.1
56.33029	1.3
57.03453	1.7
57.07048	2.8
59.04992	1.7
64.98004	1.2
67.05512	8.7
69.03428	7.1
69.07066	10.4
71.04977	4.1
71.07942	1.5
71.08282	1.5
72.04504	3.8
72.45091	1.3
78.03783	3.2
79.05487	10.2
81.07062	16.2
83.04995	3.6
83.08598	3.8
85.06525	3.1
91.05482	18.4
93.07049	15.7
95.04971	6.6
95.08606	12.8
97.06558	7.4
102.03763	4.2
103.02155	10.4
105.07032	42.3
107.04964	3.5
107.08599	33.3
109.06507	13.4
109.09483	1.9
109.10162	24.5
111.08086	3.3
114.05541	10.8
115.05459	2.4
117.07005	6.6
119.08570	15.5
120.04794	7.3
121.06532	7.4
121.10137	18.2
123.08073	9.9
123.11665	2.2
129.06996	2.4
130.07790	1.7
131.06387	2.6
131.08565	39.6
133.10130	100.0
135.08063	32.6
135.09038	1.1
135.11684	4.3
136.08815	1.7
143.08533	8.2
144.09384	2.4
145.10127	19.9
147.08055	1.6
147.11684	11.8
148.08884	2.1
149.07431	4.1
149.09618	11.4
149.13264	17.8
158.10931	12.2
160.07542	4.0
163.11154	3.6
163.14819	5.8
171.11775	1.6
173.11763	3.1
173.13264	50.8
176.12019	1.8
191.08499	3.4
191.14314	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05510	3.5
57.03423	4.8
57.07074	2.1
65.03933	3.1
67.03454	1.9
67.05492	8.9
69.03422	4.5
69.07070	11.5
71.04980	4.9
71.13987	4.5
73.02936	2.3
79.05494	13.9
81.07066	11.6
83.04996	4.8
83.08620	5.7
85.06530	2.8
91.05482	22.6
93.07037	20.2
95.04987	5.6
95.08624	12.2
95.09097	2.0
97.06513	8.1
103.05502	3.4
105.07037	47.4
107.04971	4.3
107.08600	58.7
109.06517	9.6
109.10151	19.1
115.05461	4.9
117.05775	2.8
117.07037	21.5
118.06551	5.2
119.08596	26.7
121.02828	2.2
121.06528	5.1
121.09339	3.7
121.10157	29.5
123.08060	9.0
123.11720	2.6
129.06985	4.3
131.08562	44.7
132.04462	5.3
132.08076	11.1
133.10135	100.0
135.08047	25.7
135.11668	6.8
142.06454	3.0
143.08569	7.4
144.09393	4.0
145.06448	10.8
145.10106	24.9
147.08037	2.7
147.11694	12.6
149.02324	2.4
149.09613	8.5
149.13269	26.3
150.10486	3.2
155.04907	15.0
158.10905	18.9
160.07581	53.6
161.09663	2.3
163.03922	2.9
163.07582	3.1
163.11139	2.8
163.14821	8.9
173.05988	38.3
173.13264	66.5
191.03409	6.6
191.07018	5.6
191.11974	12.4
191.14316	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45344	1.2
53.03940	2.4
55.01868	2.7
55.05500	6.3
57.03439	1.8
57.07061	4.1
65.03908	2.0
67.05504	9.6
69.03419	10.6
69.07063	11.8
71.04150	3.4
71.04974	3.0
75.90478	1.4
79.05491	12.9
81.07063	19.6
83.04986	9.1
83.08624	6.9
85.06532	4.7
91.05476	25.2
93.06496	1.7
93.07050	25.5
95.04959	7.5
95.08611	22.8
97.06529	13.0
103.05457	5.6
105.07033	40.5
107.04957	11.3
107.08591	51.3
107.09311	2.7
109.06522	12.6
109.10172	9.0
111.08084	3.8
116.06232	1.7
117.07008	5.2
118.04176	1.6
119.08589	22.3
121.06509	25.2
121.10141	41.5
123.08078	12.0
123.11700	2.1
129.07039	3.6
131.04936	2.5
131.07602	2.4
131.08568	36.8
132.08150	2.0
133.10132	62.3
135.08064	24.3
135.11688	9.7
143.08522	4.5
144.09317	2.7
145.10109	18.3
147.08031	2.3
147.11694	19.1
148.08905	1.8
149.09631	27.3
149.13239	13.8
158.10954	10.0
159.07996	2.0
160.05067	2.6
160.07570	6.7
161.09673	1.6
163.03906	1.8
163.07587	9.6
163.11203	5.3
163.14830	11.7
173.09708	2.0
173.13272	51.3
188.21912	1.5
191.03418	4.0
191.07043	5.8
191.10678	4.3
191.14319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03939	0.7
55.05509	2.3
57.29374	0.3
59.14429	0.3
60.83941	0.3
67.05502	1.0
69.03428	1.0
69.07047	1.7
70.53309	1.1
71.05000	0.4
79.05499	4.3
81.07063	2.3
83.04974	1.3
83.08616	1.3
85.06535	0.6
91.05464	4.9
93.07042	7.5
93.94883	0.3
95.04976	0.7
95.08607	2.4
97.06518	1.4
98.20747	0.4
103.05476	0.5
103.06170	0.3
105.07035	8.8
107.04937	1.2
107.07896	0.4
107.08598	6.5
109.06516	2.0
109.10169	1.0
115.05453	0.6
117.07043	0.9
119.08591	4.1
121.06514	2.4
121.09328	0.7
121.10143	8.3
123.08060	1.4
126.80624	0.4
129.06975	0.9
130.07736	0.4
131.04927	0.8
131.08562	6.3
133.07616	0.5
133.10133	12.7
135.08043	4.1
135.11676	0.9
137.09602	0.5
143.08543	1.0
144.09409	0.7
145.10150	3.5
147.08115	0.4
147.11708	2.5
149.09621	100.0
149.13211	2.4
150.09995	1.0
158.10880	1.4
160.07594	0.5
163.03973	0.7
163.11139	0.5
163.14835	1.0
172.79668	0.3
173.13254	7.5
173.14711	0.6
174.13684	0.3
176.11911	0.4
191.03429	1.5
191.07022	0.8
191.10689	0.8
191.14319	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	191.1178
Annotation	N-Methylserotonin
Peak:m/z	Relative Intensity
50.43420	0.3
51.65584	0.4
54.18338	0.3
60.02591	0.3
70.93245	0.7
105.07079	0.5
106.06496	0.3
109.06524	0.3
115.05458	2.5
117.05779	1.1
117.07027	0.4
118.06549	5.4
119.06910	0.6
121.59475	0.4
130.06511	2.7
132.04446	11.4
132.08093	19.8
132.95818	0.4
140.04912	0.6
142.06520	6.6
149.06918	0.6
160.07579	100.0
161.07907	1.6
173.13309	0.4
191.11790	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	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03936	0.9
55.05501	4.2
57.07076	1.8
64.59905	0.8
65.03909	0.8
67.05506	4.9
69.03426	5.1
69.07076	4.9
69.19535	0.8
71.04969	2.5
71.49628	1.3
79.05495	8.4
81.03410	1.5
81.07072	5.6
83.04977	2.9
83.08611	1.3
85.06539	1.6
89.02227	0.9
91.05492	11.9
91.74507	0.9
93.06532	1.5
93.07051	9.2
95.04973	5.1
95.08627	5.2
97.06530	2.7
101.05848	0.9
103.01797	0.9
103.05441	1.9
105.07037	18.2
107.04955	3.3
107.08611	14.9
109.06526	3.6
109.10184	4.4
111.04446	3.2
115.05433	2.3
116.06248	1.0
117.07012	5.1
118.04208	1.2
118.07737	0.9
119.08592	9.3
121.06522	9.3
121.10159	11.9
122.07275	1.4
123.08057	5.6
123.11700	4.7
129.07011	3.6
130.07773	3.7
131.04938	1.5
131.08562	15.1
133.10147	21.7
135.08064	60.6
135.11659	4.7
137.05978	1.1
137.09593	0.9
143.08592	3.9
145.06480	1.3
145.10130	20.3
146.06015	2.2
147.06908	1.0
147.08063	2.8
147.11694	6.3
148.05115	1.2
148.07584	1.0
149.05949	1.9
149.09633	6.2
149.13246	9.0
155.08563	2.0
158.07286	4.7
158.10931	4.8
160.07622	1.3
161.05984	3.3
162.06673	1.0
163.07535	3.3
163.11198	19.5
163.14864	1.8
173.09648	20.2
173.13281	20.8
174.01907	1.9
175.07515	2.0
176.08348	17.6
189.09036	1.2
191.03325	2.5
191.04747	1.8
191.06999	3.4
191.10677	100.0
191.14310	30.5
192.06508	4.3
192.11028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62148	0.8
53.96548	0.7
56.05021	1.0
56.96569	7.0
57.07068	2.2
58.60299	0.9
58.99867	44.7
60.08160	1.7
60.66982	0.8
70.02951	1.2
70.63444	2.5
70.99860	78.3
71.99946	1.2
74.02442	1.4
76.04002	1.5
77.00912	100.0
78.01003	0.9
79.01306	1.1
82.01432	2.9
82.99855	2.4
84.08147	7.3
85.08472	5.3
86.97605	0.8
86.99344	1.2
88.03972	1.8
89.00899	76.6
90.00954	1.8
90.16219	1.1
95.01949	29.3
98.97580	3.7
100.02510	5.4
101.00887	20.9
102.00945	1.1
103.00635	3.2
103.02426	1.1
105.00391	1.0
107.01936	16.4
109.02910	1.5
110.02408	1.6
115.01163	1.2
115.02402	1.6
117.00362	9.6
119.00182	1.5
119.01922	30.2
120.01939	1.2
121.01663	3.9
126.98828	1.6
127.02436	2.6
128.00658	1.0
130.08641	2.0
131.04492	1.0
131.08994	3.2
131.50336	1.0
132.00035	1.3
132.50052	1.4
132.98163	0.9
132.99860	9.9
135.01395	51.3
137.02954	2.1
139.00854	1.0
140.49866	1.0
140.50861	2.1
140.99557	1.0
141.99509	1.8
142.49568	2.6
142.99440	1.3
144.98155	1.2
144.99817	4.4
145.03453	9.7
145.06041	2.1
146.51424	1.1
147.01393	4.4
149.01158	2.0
151.00861	4.5
151.50162	1.0
151.99048	1.2
152.01540	1.3
153.00633	1.4
153.02446	29.4
154.00526	1.2
154.49556	2.6
154.50648	1.9
154.99370	2.6
163.00890	9.7
163.02870	1.4
163.04410	1.1
163.50063	1.3
163.99828	2.1
164.51353	1.0
165.02522	2.1
166.01509	1.3
167.59750	1.3
168.02144	0.8
168.05080	5.9
172.99319	2.4
175.00179	1.5
176.50131	2.2
176.99988	1.2
179.10501	1.9
185.02966	1.1
185.50583	1.5
186.03114	11.3
186.99355	1.0
188.00952	2.1
188.50671	1.1
190.98773	1.4
191.00368	14.5
209.01521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
57.02406	0.2
63.76481	0.2
69.58617	0.6
69.59032	1.0
72.08137	1.7
82.79848	0.2
89.03905	1.2
98.21494	0.4
101.17992	0.2
116.04982	3.3
118.76665	0.3
130.96306	0.3
131.45679	0.2
144.04449	3.6
144.10202	0.9
160.07614	0.3
162.05504	100.0
163.05830	1.5
164.05984	0.3
190.04993	31.9
191.05402	0.5
196.96870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1075
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
53.03938	0.6
55.01855	0.5
55.05493	1.6
56.05028	3.5
56.96553	1.3
57.03426	1.3
58.06586	0.8
58.99859	0.4
59.04992	0.4
60.04525	2.7
60.08163	2.8
61.02897	0.4
61.08493	0.8
65.03922	0.3
67.05476	0.6
68.05012	0.4
69.03419	1.4
69.07057	1.5
70.06596	2.2
70.74660	1.0
71.01332	0.5
71.04980	0.7
71.06916	1.6
72.08164	2.1
73.02924	0.6
73.06528	0.6
73.77226	0.3
74.06065	0.4
74.07204	0.6
75.07545	0.4
77.00889	0.5
81.03405	1.6
81.07054	0.5
83.04956	0.4
84.04506	5.1
84.08145	5.5
85.02899	2.4
85.04811	0.4
85.06541	0.6
85.08475	4.5
86.03668	0.4
86.06055	1.5
86.09719	0.8
87.04474	0.6
87.10051	0.5
88.03992	28.6
89.00828	0.4
89.54194	0.3
91.05478	0.7
92.28945	0.4
93.53738	0.4
97.02893	0.5
97.07648	0.4
97.96835	0.4
98.06055	0.8
98.09692	18.7
98.97581	1.2
99.04450	0.4
101.00851	0.5
101.01736	1.1
102.05563	2.9
109.02866	1.7
110.97533	0.5
112.03991	0.5
114.79713	0.4
116.07073	0.9
116.10706	1.0
117.07397	0.7
118.08637	1.0
119.01859	1.1
120.08067	0.5
122.05956	0.4
122.83148	0.3
126.05512	1.5
126.09122	1.2
126.12768	2.3
127.03922	0.5
130.03192	0.6
130.04990	5.3
130.08638	1.5
131.09007	2.1
131.77303	0.3
134.05969	0.5
143.01930	0.4
144.10194	100.0
144.13841	3.1
145.03462	0.4
145.10513	1.3
145.11571	0.6
145.14253	0.4
146.05972	0.5
148.03937	0.9
148.05977	0.5
154.05023	1.3
157.03441	0.5
158.02707	1.2
160.07545	0.8
162.05493	1.4
167.01945	0.6
172.09677	0.8
172.13408	0.4
173.02953	0.4
173.09958	0.4
174.05305	0.4
185.02995	1.6
189.06970	2.4
190.05031	1.1
190.07390	2.8
190.10808	3.0
190.14351	2.2
190.16290	1.2
191.03374	0.6
191.08537	1.6
203.04021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
55.32724	1.3
56.84780	1.2
56.85956	1.3
58.06323	2.1
58.06604	40.0
64.22321	1.2
69.03412	5.5
70.04039	1.3
70.06564	2.0
70.88696	2.9
79.05489	2.0
84.08156	1.6
91.05477	8.4
93.07030	2.1
93.60098	1.3
103.05492	1.6
105.07047	15.5
107.08584	2.6
115.05406	2.4
117.06999	5.6
119.04885	1.4
119.08583	22.4
128.06215	3.3
129.06978	6.0
130.07761	5.4
130.08649	2.0
131.08569	9.7
133.06468	3.6
133.10104	7.2
134.72028	1.2
141.07007	11.3
143.08586	6.8
144.07011	2.2
144.08104	23.8
144.09279	2.7
145.10117	22.0
147.08092	6.8
147.11688	20.8
155.08556	2.1
156.09349	57.3
157.06496	1.3
157.09718	1.9
159.08060	7.3
159.11700	14.0
160.08815	2.2
161.09610	3.3
161.13231	4.8
171.11687	70.1
174.06760	1.6
174.10420	11.2
189.09163	9.9
189.12735	100.0
190.13042	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	189.1386
Annotation	N,N-Dimethyltryptamine (DMT)
Peak:m/z	Relative Intensity
55.14880	0.2
56.05046	0.4
58.06600	100.0
69.37497	1.8
70.06625	0.2
75.52669	0.2
84.08165	0.3
86.09729	0.4
91.05460	0.4
98.20794	0.5
103.05493	0.4
105.07003	0.3
115.05437	0.5
117.07009	2.7
118.06559	0.5
119.08590	0.5
119.28786	0.2
128.06171	0.3
135.06091	0.2
143.07324	1.3
144.08083	60.3
145.06514	0.4
145.08452	0.6
155.06009	0.6
171.11671	0.3
189.09044	0.3
189.12431	0.6
189.14110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
55.05503	0.3
56.05032	2.0
56.96563	0.6
57.07071	0.2
60.08163	23.3
62.33218	0.2
67.05507	2.9
69.07072	0.3
70.06594	2.9
71.00797	0.4
74.02443	0.6
74.07188	0.9
77.67782	0.2
84.08142	100.0
85.06541	1.1
85.08493	0.5
86.09708	0.9
89.51318	0.2
102.09214	0.2
112.07592	0.3
116.07066	0.9
130.08638	38.0
144.11324	0.5
144.13843	2.6
158.09262	0.2
172.10826	0.3
189.13574	1.0
189.15976	14.4
190.16345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
55.31511	1.6
58.06601	82.6
65.18790	1.4
67.05483	2.1
69.03415	4.3
69.48341	10.0
77.90930	1.4
79.55600	1.5
81.07053	1.5
84.08129	1.8
86.22501	1.7
91.05476	15.5
93.07045	2.3
98.20850	2.1
103.05461	1.8
105.07024	24.2
107.08560	2.9
111.67435	1.4
115.05463	3.3
116.06241	2.9
117.07021	7.1
118.06573	1.7
119.05029	1.8
119.08577	31.7
121.06517	1.7
126.18349	1.6
128.06195	4.6
129.06999	6.8
130.07777	4.6
131.08565	87.6
131.16820	1.4
133.06480	2.6
133.10127	6.9
133.52039	1.6
141.07011	10.2
143.08571	8.4
144.08090	49.8
144.09233	3.7
145.10109	18.7
146.10881	2.5
147.08052	12.7
147.11690	38.9
155.08560	3.2
156.09351	56.6
159.08017	5.2
159.11673	11.8
160.08791	3.3
161.09630	3.0
161.13229	4.5
171.11685	60.8
172.12067	2.2
174.10396	10.2
189.09029	3.1
189.12726	100.0
190.13054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	100.0
58.39069	2.0
62.86674	1.8
69.03425	2.0
69.71114	10.8
70.58981	1.7
79.05470	1.9
85.02579	1.7
85.23644	1.8
90.52404	1.7
91.05475	8.9
105.07009	11.8
107.08588	3.2
115.05437	5.3
117.06997	7.2
119.08578	17.2
128.06229	5.5
129.07014	4.5
130.07791	3.2
131.08598	11.0
133.06490	3.1
133.10135	5.2
141.06952	7.6
143.08522	6.0
144.08096	58.1
144.09239	2.9
145.10149	14.1
146.10887	2.4
147.08037	10.5
147.11713	16.9
155.08487	2.0
156.09358	45.1
159.07997	5.2
159.11731	10.0
161.09680	2.9
171.11682	59.7
174.10385	5.9
189.05495	6.3
189.12746	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	189.112
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
50.60926	2.6
53.03952	5.0
55.01878	5.2
55.05512	33.1
57.03439	45.7
57.07077	71.2
61.02935	14.9
61.03185	2.4
67.05507	19.1
69.03430	14.0
69.07060	26.6
69.16866	6.7
69.17274	21.4
71.01346	6.4
71.04996	7.3
71.08633	5.2
73.02915	19.3
79.05500	27.0
81.03419	3.5
81.07053	52.4
83.04959	15.3
83.08643	12.7
85.02900	19.9
85.06547	41.9
87.04495	3.2
91.05486	10.6
93.07054	14.2
93.63183	2.5
95.04957	5.1
95.08598	16.0
97.02904	3.3
98.21569	3.8
99.08118	7.9
105.06996	13.7
107.08603	8.0
109.06525	4.5
109.10126	2.8
111.04472	2.7
111.08118	15.5
119.08567	15.2
125.09653	3.5
127.07557	100.0
127.08495	5.4
129.09093	2.8
133.10141	18.0
135.08165	3.4
141.09052	7.9
143.63481	2.4
145.10179	4.9
147.08083	3.2
147.11717	9.8
149.02341	2.4
153.09116	25.3
156.09325	2.9
171.10175	7.9
189.09126	6.0
189.12749	8.6
189.16345	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.4
58.06602	100.0
59.59984	0.9
67.05506	1.3
69.03420	2.0
70.03458	2.7
70.03867	1.3
70.06581	2.1
71.04986	0.9
79.05470	1.3
81.07046	0.9
84.08124	1.7
91.05486	5.8
93.07012	2.2
95.04989	3.9
102.24100	0.9
103.05457	1.6
105.07040	13.0
107.08571	2.8
109.06530	0.9
115.05460	1.6
117.07027	6.6
119.08579	21.8
121.10134	1.3
128.06192	3.4
129.07005	6.0
130.07745	1.9
131.08562	9.8
133.06461	2.1
133.10135	12.2
135.08026	0.9
141.07033	4.9
142.07774	1.8
143.07353	1.9
143.08534	9.1
144.08090	64.4
145.06451	2.0
145.08379	1.0
145.10120	11.5
146.07243	1.2
146.10944	1.6
147.08046	12.7
147.11688	17.7
156.09348	26.8
159.08066	5.5
159.11678	4.3
160.08833	2.3
161.05966	2.9
161.09599	6.2
161.13252	9.3
171.11699	29.7
173.09630	0.9
174.10406	9.6
182.94061	0.8
189.05368	1.7
189.09126	4.1
189.12717	60.8
190.13033	1.4
193.86229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.2
55.36217	0.3
56.05035	5.3
56.96570	0.3
57.03440	0.5
58.06599	0.6
59.05003	3.8
60.04523	3.1
60.08162	0.5
65.03931	0.5
67.05505	2.4
68.05033	0.6
69.07071	2.3
69.18054	0.2
70.06592	2.4
71.04977	0.4
71.49139	0.4
71.49505	0.3
72.08143	1.3
74.06066	0.3
74.07207	0.3
79.05481	0.5
80.04996	0.3
81.07033	0.4
82.06577	3.8
83.04980	4.1
84.04498	2.4
84.08143	42.0
85.08472	0.4
86.06085	0.3
93.03404	0.4
96.04510	0.5
96.08131	11.6
98.06037	0.5
98.09667	0.6
99.02667	0.4
100.07620	5.6
101.06026	3.3
102.05558	0.5
103.99075	0.2
107.04973	0.8
109.37856	0.3
110.06023	1.4
110.09676	1.0
111.04442	0.4
114.05544	1.8
114.09173	0.9
116.07058	0.5
122.09676	0.4
124.07632	1.7
124.11230	23.8
125.05985	0.8
126.09148	0.6
128.07080	5.9
128.10736	0.6
129.05482	0.8
130.08644	1.1
135.04393	1.3
142.03270	0.4
142.05013	1.6
142.08641	25.2
142.12271	100.0
143.09109	0.3
143.12639	0.9
144.10193	0.4
146.08119	10.7
152.07108	0.3
152.10684	0.3
170.08246	1.4
170.11763	30.1
171.12103	0.3
188.09250	5.8
188.12817	54.1
189.13147	1.2
198.53168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	8-amino-7-oxononanoate
Peak:m/z	Relative Intensity
55.05514	2.9
56.05037	4.9
57.03447	0.7
57.04554	0.7
58.06599	1.0
59.05008	4.3
60.04526	1.9
60.08166	5.9
67.05505	2.6
68.05025	1.4
69.07069	0.9
69.80975	1.5
70.06592	10.3
70.06965	0.8
70.22109	0.5
71.05004	0.8
72.08160	1.2
74.07204	2.5
74.97578	0.4
79.05504	0.8
80.05029	0.4
81.07050	0.5
82.02937	0.5
82.06579	3.7
82.09364	0.3
83.04978	3.1
83.06930	0.6
84.04497	5.5
84.08144	60.5
85.02911	1.0
86.06027	0.5
86.09702	0.6
96.08135	6.5
96.08721	0.7
98.06055	0.4
98.09702	0.9
100.04028	0.6
100.07613	4.9
100.65329	0.4
101.06020	2.6
102.05521	0.7
109.69920	0.4
110.06052	1.0
110.09695	1.3
112.03992	0.5
112.07622	0.8
114.05525	1.9
114.09181	2.5
116.07076	3.2
124.07593	2.3
124.11232	26.1
128.07082	7.5
128.10715	3.5
129.05487	1.1
130.05025	3.3
130.08627	5.7
139.69957	0.4
142.04991	1.3
142.08646	21.4
142.12274	100.0
143.12613	1.3
144.11328	1.1
144.13837	1.5
146.08128	7.4
158.09261	0.5
170.08163	3.1
170.11760	28.8
171.12067	0.5
171.14832	0.6
188.09273	5.4
188.12816	55.0
189.13451	2.5
189.16029	1.7
198.68607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.01869	0.9
55.05505	4.6
56.05034	22.1
56.96560	2.8
57.03443	1.6
57.92239	0.7
58.06593	1.5
59.04985	2.5
60.04522	3.9
60.05632	0.8
60.08149	1.1
66.03443	2.7
67.05484	3.4
68.05022	4.6
69.03441	0.9
69.07053	3.4
70.02930	1.1
70.06588	7.5
70.95847	1.2
71.04975	1.4
72.04511	0.9
72.08135	3.5
72.93780	1.3
75.23919	0.7
79.05483	1.3
80.05043	0.9
81.03408	2.0
81.07052	0.9
82.02906	1.1
82.06591	5.2
83.05004	4.6
84.04502	100.0
84.08142	28.2
85.02883	2.8
86.06036	2.4
86.09676	1.0
87.00792	2.2
87.04444	1.3
88.03973	1.4
94.06574	1.4
96.04507	4.2
96.08129	49.6
97.06499	1.1
98.06030	1.3
98.09682	1.0
98.97594	1.4
99.02635	1.2
100.03974	2.1
100.07611	6.6
101.06018	4.2
102.05527	6.9
107.04941	0.9
109.02850	0.9
110.06030	2.5
110.09668	1.8
111.04417	1.7
113.02367	1.0
114.05527	31.0
116.07091	1.1
117.51822	1.2
124.03925	2.2
124.07589	36.5
124.11217	12.2
125.06020	1.8
126.05463	0.9
128.07060	7.1
128.10721	17.4
129.05423	0.9
130.08609	3.2
134.35023	0.8
135.04413	1.3
135.65823	0.8
141.80734	0.8
142.04994	54.6
142.08629	38.4
142.12270	42.2
146.05977	0.8
146.08112	11.4
147.11375	1.0
152.03381	1.6
152.07065	1.7
170.04503	11.6
170.08121	84.1
170.11739	14.9
173.98483	0.9
188.07503	1.5
188.09210	12.5
188.12802	35.0
189.13416	1.0
189.15794	1.0
204.58940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0389
Annotation	Psoralen
Peak:m/z	Relative Intensity
51.02384	0.3
53.03936	0.4
55.03322	0.2
55.05505	0.2
59.29353	0.2
61.84134	0.2
63.02388	0.2
69.03441	0.4
70.61169	0.3
70.61515	0.6
79.05521	0.3
81.03413	0.5
83.08601	0.3
83.43588	0.3
84.08141	0.2
85.02934	0.2
88.02215	1.1
89.03905	0.3
91.05497	0.6
95.04960	0.2
99.00740	0.2
103.05476	0.6
105.07056	0.5
115.05453	30.8
117.07058	0.3
119.08582	0.4
129.07001	0.5
131.04929	45.2
131.08565	0.9
132.05251	0.6
136.06137	0.3
143.04922	19.3
144.05814	0.5
144.09346	0.3
145.06512	0.2
145.10130	1.7
157.10089	0.3
159.04419	4.1
159.05658	0.3
159.06918	0.3
159.08109	1.1
159.09157	0.2
159.11765	1.2
172.05197	0.4
172.08871	0.3
187.03900	100.0
187.11118	1.8
187.14807	1.3
188.04201	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61629	1.4
91.05486	3.9
103.05443	0.6
114.06099	0.4
115.05455	5.4
117.05756	1.2
117.07011	3.6
118.06543	64.4
119.06873	1.0
121.84834	0.5
130.20828	0.5
132.07999	0.7
142.06522	4.7
143.07307	10.8
144.04491	0.7
144.08092	23.9
146.06012	100.0
147.06361	2.0
155.05998	0.9
160.07590	1.3
170.06023	7.8
188.07057	20.7
189.07333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.94616	0.5
58.05904	0.6
61.93885	0.5
69.60636	3.7
77.65518	0.5
89.46594	0.5
91.05478	6.2
103.05481	0.6
109.05769	0.5
113.54153	0.5
115.05453	6.9
116.06231	0.7
117.05762	2.3
117.07014	3.5
118.06544	79.8
119.06909	0.8
121.10036	0.6
142.06535	7.8
143.06212	1.2
143.07312	16.4
144.04469	1.0
144.08084	27.0
145.06526	0.7
146.06010	100.0
147.06291	1.2
155.06073	1.4
160.07547	1.5
170.06018	9.8
188.07063	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	186.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01863	1.1
55.05499	2.3
56.05032	3.7
56.96555	1.0
57.03421	1.1
58.06589	1.0
58.99589	0.9
60.04514	1.1
65.03943	0.6
67.05505	8.4
68.05023	1.9
68.99757	0.6
69.03414	1.8
69.07070	30.5
70.02955	0.8
70.06599	6.4
70.25813	1.3
70.26211	1.1
70.95843	0.9
71.04966	0.7
72.08158	0.9
72.93779	1.1
73.02898	0.8
74.06085	1.3
79.05502	5.6
80.05013	1.8
81.03413	2.3
81.05820	3.0
81.07062	1.8
82.02936	0.8
82.06589	3.1
84.04499	5.8
84.08142	2.7
85.02906	4.8
86.06075	1.0
86.09694	1.8
88.03989	1.1
88.07599	0.7
89.03913	1.1
93.05786	2.3
94.06570	11.6
95.04963	4.8
96.04496	2.0
96.08136	15.0
97.02898	1.4
97.06544	9.1
98.06069	2.9
98.09677	0.8
98.97585	0.7
100.03955	0.8
102.97002	0.8
102.99810	0.6
103.05491	1.1
105.04532	1.4
106.06518	0.7
108.04449	0.6
109.02859	1.0
110.06079	0.7
110.07153	2.3
112.02195	3.5
112.03919	0.6
112.07619	5.7
113.06023	0.7
114.05540	7.6
121.00792	3.6
121.01659	2.0
122.06032	36.0
124.03934	0.7
124.07616	10.0
125.06000	2.5
126.05522	9.3
126.12842	1.6
127.03942	1.0
128.07082	1.5
128.10661	0.7
130.06548	4.0
130.08647	0.6
131.04947	1.4
138.05513	0.9
139.01819	1.8
140.01697	1.0
140.07068	100.0
140.10690	2.4
141.01158	1.1
141.05490	2.1
141.07474	1.3
141.10223	0.7
142.08650	1.8
144.03290	0.9
144.06577	1.7
144.07674	0.8
150.05504	1.9
155.03418	0.7
156.07671	1.6
158.01390	0.6
158.06039	2.1
158.08141	2.1
158.11697	0.8
163.01814	5.8
168.06581	8.4
170.08096	0.8
181.02873	6.2
186.02214	2.7
186.05611	3.0
186.07623	11.5
186.09221	1.4
186.11198	3.2
186.14943	1.9
207.32207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.3
55.01855	6.6
55.05512	15.4
56.05034	100.0
56.96552	3.5
57.03427	5.2
57.92539	1.2
58.06592	1.3
60.04525	16.5
60.08585	1.2
60.98734	1.8
65.03928	1.5
67.05499	3.0
68.05038	6.3
69.03424	3.1
69.07053	3.8
70.02943	3.2
70.06589	38.2
71.04977	4.1
71.49435	1.4
72.04507	3.0
72.08136	2.1
72.93763	3.7
74.06072	3.5
79.05482	1.3
80.05009	10.3
81.03416	43.5
81.07029	1.9
82.06574	12.1
83.04958	6.1
84.04512	11.8
84.08133	8.3
85.02905	14.5
86.06065	2.1
86.09699	3.5
88.03973	1.6
89.03895	2.5
94.06551	4.3
95.04942	1.5
95.57204	1.2
96.04488	2.9
96.08121	12.5
97.02875	1.7
97.06536	1.2
98.06050	55.4
98.09684	3.2
98.97552	1.3
99.04437	4.6
100.03983	2.4
101.02376	1.3
103.00612	5.7
103.05444	2.6
108.04478	1.6
109.02889	3.4
110.06016	2.7
110.07176	6.3
112.02177	1.4
112.07606	26.5
112.11205	1.2
113.96382	1.4
114.05527	18.2
114.09164	1.7
116.07091	20.1
117.03350	2.9
121.00758	4.4
121.01654	10.0
122.05980	3.4
122.09648	1.4
124.07584	3.4
125.06073	1.4
126.04583	2.3
126.05512	45.0
126.12748	1.4
127.03902	19.0
128.07077	3.1
129.10268	2.6
130.06511	14.4
130.08633	1.5
130.45583	1.2
131.04941	1.9
138.05470	3.7
139.01779	3.2
139.02750	1.4
140.04237	3.2
140.07057	23.4
140.10695	6.9
142.08632	6.1
144.03270	1.4
144.06558	69.2
145.02832	1.7
145.07024	1.4
151.03903	1.8
156.06543	1.6
156.07674	3.7
158.05963	7.5
158.08104	4.9
163.01787	7.5
168.06525	6.5
168.10159	1.3
180.96400	1.5
181.02719	6.3
186.02213	2.8
186.05527	4.2
186.07626	35.6
186.09210	1.5
186.11287	11.6
186.18506	2.0
189.10263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.097
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
60.04511	0.6
67.05503	0.6
68.05035	0.8
69.03431	1.1
69.07063	2.2
69.17182	2.6
69.17613	3.1
70.06593	35.2
71.05005	1.1
79.05489	1.1
80.05022	0.6
82.06572	1.3
84.04512	1.2
86.09695	1.3
87.04482	0.7
91.05507	0.6
93.07050	3.0
94.06512	0.8
95.04974	0.7
95.08607	1.2
96.08134	27.9
98.06039	1.0
98.21513	1.3
98.98457	1.9
100.03972	0.7
101.00871	1.8
101.95041	2.1
103.05459	1.0
105.03406	0.8
106.03713	0.7
110.06056	1.0
110.09655	0.6
114.05461	1.0
114.09158	9.8
118.06547	0.7
119.01915	4.6
120.08115	11.4
122.09650	0.7
124.03916	0.7
124.06776	0.8
124.07579	4.7
125.00024	0.6
126.05524	0.9
127.23859	0.7
137.02950	1.3
138.05486	1.7
138.09142	60.1
139.09694	0.6
142.08635	100.0
143.08961	1.1
156.41223	0.6
166.04980	1.5
166.09781	0.9
173.44807	0.6
184.09691	68.4
185.10104	0.8
190.22995	0.6
202.64917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
50.85603	0.5
55.05497	0.8
59.12063	0.5
65.03930	1.5
67.05498	1.3
68.99779	2.6
69.07068	0.6
70.06585	1.8
70.55052	1.3
72.08134	1.7
75.04462	1.4
75.30373	0.4
79.01842	1.4
79.05511	0.8
81.03438	0.7
81.07045	0.8
82.04200	2.7
83.04971	1.1
86.09698	3.7
93.03390	1.2
93.10667	0.5
95.01336	6.8
95.04964	2.0
97.06535	1.0
99.04456	0.7
107.01299	1.0
107.08546	0.6
109.02854	1.7
110.03664	28.3
111.04432	7.0
123.04477	1.2
124.05225	0.6
125.05994	77.2
126.06337	0.8
127.03925	5.7
129.06924	0.6
133.40999	0.5
138.03137	1.5
139.03909	20.6
140.04668	1.0
140.07094	0.7
142.06273	0.9
151.15587	0.6
153.05470	100.0
154.06252	42.6
155.03351	3.4
155.07066	2.4
156.04169	0.8
163.01828	0.9
170.05748	5.0
185.08128	25.1
185.10770	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	185.1074
Annotation	1,2-Diphenylhydrazine
Peak:m/z	Relative Intensity
55.05508	0.4
56.05019	0.2
57.07059	0.3
67.05526	0.3
68.05032	7.3
69.07068	0.5
70.01461	0.8
70.06591	0.2
72.08160	0.2
79.05484	0.4
81.07055	0.3
83.05003	0.2
86.09711	2.8
93.07040	0.3
95.08578	0.3
95.15105	0.2
97.21793	0.2
98.97591	0.2
102.10806	0.2
105.29218	0.2
107.08556	0.3
110.03668	0.5
111.04408	0.2
111.08084	0.2
115.05461	0.5
117.07021	0.7
118.22697	0.2
120.97815	0.2
124.07578	0.4
125.05993	1.4
125.07943	1.2
125.09661	0.2
130.06531	0.5
130.07379	0.3
139.03920	0.3
139.09505	0.2
139.11102	0.2
141.06973	0.3
142.06529	2.0
142.07603	0.3
143.07298	0.6
144.08093	19.1
145.08467	0.3
145.17979	0.2
153.05475	1.4
154.06322	0.4
156.08099	0.4
157.08429	0.6
158.09671	0.5
167.07291	1.4
167.09038	0.3
167.10706	0.3
168.08098	7.0
169.07648	0.6
170.08405	2.4
185.10750	100.0
186.11090	1.8
186.67056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
56.96576	0.6
57.03428	0.5
60.08164	0.6
65.03943	2.3
67.05495	0.5
70.05919	0.4
70.06603	2.0
70.54431	1.0
70.95858	1.4
71.04961	0.5
71.14147	0.4
72.08159	0.6
82.06602	0.9
82.99849	0.8
84.04504	1.8
84.08134	0.6
85.02916	0.7
86.09695	2.6
87.48768	0.4
92.05016	2.3
94.06570	0.5
95.05054	0.4
96.04501	0.9
96.08141	0.9
97.02869	0.5
98.98531	0.5
101.00882	5.3
110.05397	0.4
110.06026	2.4
110.09737	0.7
114.05532	1.1
119.01924	12.0
120.04461	2.2
120.05305	0.4
122.06028	0.5
124.02473	0.6
124.03960	1.1
124.11211	0.7
124.99996	1.9
136.03888	0.4
136.64462	0.4
137.02965	1.9
138.05502	7.9
138.06541	0.5
138.09134	0.7
142.03529	2.7
142.04994	0.4
145.12244	0.4
148.03932	91.7
149.04285	1.2
156.10187	0.9
160.04620	0.4
161.02965	2.1
166.05000	100.0
167.05342	1.2
179.03990	1.1
184.00677	0.6
184.06041	14.0
184.07393	1.4
184.09651	4.0
184.13345	1.2
185.07109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
51.02360	1.6
53.03939	6.5
55.01867	4.4
55.05513	15.4
57.03431	3.7
57.07060	4.7
65.03918	2.3
67.05510	38.6
69.03400	2.8
69.07072	19.3
69.45351	11.0
70.06589	1.7
71.05002	14.5
79.05498	22.8
81.03421	2.9
81.07063	100.0
83.04961	6.1
83.08633	9.4
85.02905	3.3
85.06547	17.4
91.00372	1.5
91.05486	17.1
93.07054	16.9
95.01649	2.1
95.04975	24.7
95.08616	28.8
97.06529	7.7
98.20908	4.2
98.21494	2.8
98.98475	44.2
99.04454	6.8
99.08070	3.0
101.95027	7.3
105.03398	27.9
105.04463	1.8
105.07030	28.1
107.08597	11.8
109.06524	8.8
109.10138	4.5
111.08076	5.0
113.06013	2.6
117.06934	1.7
119.08582	25.6
119.96044	1.8
121.10158	31.2
123.04431	15.8
123.08059	10.6
123.11710	40.3
125.09594	2.9
127.01552	8.6
127.07561	3.6
137.06052	3.4
137.09604	3.1
137.13235	4.1
139.11177	1.6
140.04695	4.6
147.11700	39.7
153.06914	1.8
155.04752	2.1
155.07156	2.6
155.08580	7.8
160.04561	1.5
165.12758	17.0
167.08464	1.5
168.09315	3.5
183.06491	3.4
183.07941	4.1
183.09221	8.3
183.11688	7.7
183.13733	3.4
184.09660	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22670	0.4
57.70948	0.5
66.67036	0.5
71.47635	0.7
77.07903	0.5
78.17667	0.4
81.74361	0.5
82.99842	8.5
101.00884	63.6
102.00974	1.2
113.49451	0.5
116.16164	0.5
119.01924	100.0
120.01990	2.4
124.02464	4.7
137.02960	11.2
142.03496	21.0
143.03627	0.8
160.04602	2.4
161.02960	11.6
179.04001	8.1
184.04530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03947	5.4
55.01854	3.9
55.05515	15.8
57.03437	4.8
57.07079	3.8
67.05181	4.2
67.05511	52.5
69.07076	23.2
71.05010	16.4
71.08101	3.7
79.05501	17.9
81.07061	100.0
83.04999	7.7
83.08624	3.2
84.37335	2.6
85.02910	3.8
85.06551	18.1
91.05495	26.2
93.07049	18.0
93.80999	2.3
95.04979	13.8
95.08611	24.9
97.06535	9.9
98.98475	32.5
99.04465	4.5
99.08096	5.4
101.95042	5.8
105.03395	22.1
105.04483	3.2
105.07035	32.4
107.08589	16.6
109.06533	11.4
109.10200	3.6
111.08088	5.6
113.06001	4.0
115.05476	3.8
117.07011	9.8
119.08582	27.7
121.10165	36.3
123.04386	13.3
123.08083	7.5
123.11713	63.2
125.06011	3.1
125.57858	2.2
127.01585	5.9
127.07529	3.0
129.07014	12.7
137.09636	3.1
137.13258	5.4
141.06998	76.0
142.07799	6.2
145.13391	2.7
147.10518	4.9
147.11697	78.2
153.06993	6.0
155.08565	34.4
165.12761	28.3
168.09346	8.7
183.09291	3.6
183.11703	50.5
183.13600	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	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
50.16031	0.8
55.01852	1.6
55.05511	7.5
56.94290	0.6
57.03429	1.1
57.07063	2.6
58.02962	35.3
67.05505	22.2
69.03394	0.6
69.07068	71.3
69.15445	4.3
69.15861	2.5
70.06586	2.5
71.04990	0.7
72.08156	1.1
73.38062	0.7
74.06094	1.5
75.52100	0.6
77.21873	0.6
79.05491	7.8
81.07054	23.4
83.04982	1.3
83.08614	8.0
84.08145	9.7
86.06048	1.0
91.05482	5.7
93.07043	10.5
95.04955	2.2
95.08620	7.0
96.51621	0.6
97.06511	3.4
98.06064	3.5
98.09685	2.8
98.97585	1.5
98.98502	1.5
100.07619	6.4
100.11254	0.6
105.07034	15.3
107.08598	18.3
108.08139	0.9
109.06533	3.2
109.10157	47.3
110.10479	1.3
112.07587	3.3
114.09170	15.4
119.08569	1.3
121.10146	2.3
123.04479	0.6
123.11691	8.8
126.09159	12.8
126.12788	1.2
128.10683	0.8
133.09123	1.4
133.10132	26.9
135.11690	20.6
137.13234	0.7
138.11699	1.3
138.12778	24.8
140.10721	0.8
140.14359	1.0
144.73807	0.6
147.11688	5.8
151.11171	11.5
153.12744	13.6
154.15875	1.4
164.14322	4.0
165.12779	4.0
166.98595	0.7
182.04469	1.0
182.15404	100.0
183.15770	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	182.1904
Annotation	Dicyclohexylamine
Peak:m/z	Relative Intensity
53.03944	1.0
55.05509	20.3
56.05021	0.5
56.96580	0.4
67.05494	1.0
69.03432	0.7
69.07061	1.0
70.06595	0.7
71.49877	0.5
79.05467	0.4
79.64268	0.4
80.05010	0.5
81.07058	0.9
83.08616	30.3
84.08932	0.5
91.05479	1.1
93.07037	0.8
94.06562	0.9
95.04962	1.8
95.08615	1.0
96.72287	0.4
98.97550	1.2
98.98460	3.5
99.97903	0.5
100.11253	26.7
105.03387	1.6
108.08094	0.6
109.06517	0.6
111.04424	0.6
112.07584	0.6
116.98608	0.9
117.98972	0.5
119.04971	0.4
122.06046	0.8
122.10441	0.9
123.04427	1.7
123.08046	0.8
126.06390	0.4
127.01604	0.7
134.99680	0.5
136.07587	3.4
141.01852	0.8
154.08629	2.4
154.12256	1.1
164.07066	2.1
164.11607	0.6
168.35844	0.4
182.00945	0.8
182.04541	1.6
182.08061	2.4
182.11790	1.4
182.19038	100.0
183.09335	0.5
183.11676	0.5
183.19362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03955	1.1
55.01875	1.2
55.05516	3.0
57.03426	2.2
57.07074	21.2
59.04999	2.3
67.05506	1.8
69.03433	1.7
69.07072	3.9
69.20525	4.4
69.20939	2.5
71.05010	0.9
72.13033	0.6
79.05485	9.0
80.51715	0.8
81.03413	6.5
81.07066	4.2
83.04979	45.2
83.08624	0.8
91.05472	4.0
93.07036	9.1
95.04965	15.1
95.08609	1.6
97.06531	24.8
97.07162	1.3
98.21511	2.0
98.97588	9.5
103.05450	0.8
105.07038	6.7
107.04951	2.6
107.08595	11.2
109.06564	0.8
116.97131	0.7
116.98608	3.8
117.07020	3.2
119.08570	3.6
121.06506	2.2
121.10139	13.8
123.08044	1.0
125.05991	65.8
126.06310	1.1
130.07794	1.6
135.04378	0.8
135.08022	0.9
135.11688	7.5
145.10112	11.3
148.08838	0.9
163.03893	1.8
163.11179	100.0
164.11539	1.2
181.05037	0.9
181.08694	0.9
181.12230	32.3
182.12560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03941	0.7
54.20037	0.4
55.01883	0.4
56.96574	0.5
58.06605	0.6
59.19277	0.4
65.03956	0.4
67.05521	0.4
69.81364	1.1
69.81777	1.0
72.08096	0.3
74.42767	0.4
78.75280	0.4
83.89523	0.4
91.05483	34.0
93.05795	0.4
94.06620	0.4
95.04969	13.9
103.05497	1.6
107.04979	1.4
108.08138	1.4
109.06547	1.1
110.57703	0.4
118.06573	0.9
119.04945	36.7
120.05305	0.6
121.06532	1.5
122.06049	0.7
123.04431	47.9
124.04758	0.5
127.02786	0.4
136.07581	100.0
137.06015	2.2
137.08040	0.5
138.05531	0.5
140.03427	0.5
147.04407	15.2
147.05540	0.8
149.08292	0.6
164.03439	0.4
164.05675	6.2
164.07051	1.8
164.10701	0.6
165.05473	21.8
182.02666	1.2
182.04471	0.9
182.06812	0.6
182.08122	12.6
182.11697	1.3
196.16280	0.4
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-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03935	4.6
53.12024	1.3
54.48437	1.4
55.05498	5.9
55.05747	1.5
55.91839	1.2
58.02943	2.7
63.24572	1.2
65.03932	5.6
67.05186	1.6
67.05509	23.4
68.05028	1.7
69.03421	1.6
69.07056	5.5
70.02937	2.1
70.06570	3.5
70.85018	2.5
70.85354	2.6
79.05495	31.6
80.04997	3.9
81.07062	44.1
82.02928	1.6
83.08614	2.6
84.08167	1.9
86.02415	5.1
89.86828	1.3
91.05489	7.6
92.04996	1.5
93.05798	8.0
94.06557	2.8
95.04970	6.3
95.08636	1.6
96.04488	4.6
97.05265	1.7
97.06536	12.5
98.06030	3.5
98.09681	3.2
98.97593	1.7
105.07986	1.4
107.07327	5.0
108.04506	1.8
108.08122	69.5
108.78935	1.4
109.06535	8.9
110.06023	6.0
116.94691	1.2
118.06516	2.7
121.05250	2.6
122.06044	2.2
123.04403	1.9
124.07579	2.3
125.06002	32.8
126.05521	35.3
126.09161	20.5
134.06026	2.0
136.07588	100.0
138.05513	3.2
138.09123	1.9
140.10699	1.8
153.05510	1.9
153.07816	3.4
154.07394	2.0
154.08640	28.5
164.04242	3.2
164.07077	89.0
182.08136	94.7
182.15503	1.5
195.01888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.44314	0.8
50.77817	0.9
53.03945	6.1
55.01863	3.0
55.05510	11.7
56.96565	1.8
57.03442	1.5
57.07064	1.9
57.87844	0.9
65.03941	2.5
65.17242	0.8
67.05502	7.6
69.03432	13.5
69.07066	7.1
71.04984	2.7
71.26257	1.7
77.03933	1.5
79.05495	29.8
80.05827	1.3
81.03423	2.0
81.07052	19.1
83.04993	4.0
83.08628	2.8
85.02887	1.1
85.06511	1.2
91.05480	29.4
91.77531	0.9
93.07046	100.0
95.04974	7.6
95.08607	6.7
97.02890	1.1
97.06528	5.5
97.10144	1.2
98.97588	19.3
99.04465	1.7
103.05465	3.2
105.04522	1.8
105.07033	24.4
106.07792	0.9
107.04961	4.7
107.08595	77.5
108.08970	1.7
109.06500	6.2
109.10152	2.5
111.04431	1.7
111.08118	1.7
115.05475	2.5
116.98622	10.4
117.03394	1.5
117.07040	4.7
119.08580	12.3
120.09336	1.0
121.06515	12.4
121.10146	71.2
122.07310	1.3
123.04397	1.1
123.08076	18.9
123.11706	2.7
125.05978	2.8
130.07794	3.3
131.08586	0.9
133.07611	1.3
133.10139	4.9
134.99678	3.6
135.04463	4.2
135.08067	13.5
135.11699	39.0
136.07578	2.0
137.06023	1.2
137.09642	3.0
139.03926	1.2
139.07541	1.0
143.08530	1.4
145.02821	1.5
145.10107	10.4
149.02338	7.2
151.11234	6.0
153.05563	1.2
163.03903	11.6
163.07649	0.9
163.11194	13.4
175.86369	1.0
181.04971	3.4
181.08612	3.4
181.10820	1.4
181.12236	11.7
181.15897	1.5
182.04579	1.1
185.52737	0.9
198.76418	0.8
198.99626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03934	1.2
53.53138	0.8
55.01869	2.3
55.05495	2.4
55.33231	0.9
56.96549	1.5
57.07076	19.5
58.83543	0.7
59.04993	2.2
67.05495	2.3
69.03411	1.3
69.07069	4.5
71.04971	1.5
71.95249	0.9
77.25032	0.8
79.05492	10.2
81.03414	7.3
81.07050	5.3
83.04980	42.7
85.06532	1.2
87.40923	0.9
89.03857	0.9
90.25355	0.9
91.05465	3.1
93.07038	6.9
95.04968	16.5
95.08602	0.9
95.78947	0.9
97.02914	0.8
97.06530	22.7
98.06872	1.1
98.97584	12.9
99.05573	1.1
105.07047	5.1
107.04942	2.6
107.08602	9.7
109.06503	1.8
111.04435	1.1
116.98608	9.8
117.07010	2.7
119.08562	3.4
121.06477	3.3
121.10140	12.5
125.05994	57.3
130.07761	1.2
134.99640	3.5
135.04369	2.0
135.08029	1.9
135.11688	5.7
140.00174	1.4
145.10129	11.2
158.01233	1.4
163.03906	3.0
163.11182	100.0
164.11441	1.2
165.06966	1.0
166.07745	1.9
181.08727	1.2
181.10233	2.5
181.12225	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03992	1.7
55.01916	1.3
55.05557	2.7
57.03467	0.9
57.04596	1.7
57.07076	20.4
59.05048	2.7
67.05552	2.4
69.03447	1.0
69.07067	3.6
71.05029	1.3
71.50397	0.9
79.05493	8.1
81.03414	6.1
81.07077	4.0
83.04980	43.7
86.06106	0.9
91.05479	3.7
93.07043	8.2
95.04975	14.4
95.06011	0.7
95.08655	0.8
97.06534	21.2
97.07587	1.0
98.06070	0.9
98.97610	1.5
99.05577	16.5
102.24532	0.7
105.07014	6.3
107.04998	1.9
107.08591	9.8
107.09188	1.0
109.06548	1.1
110.07171	0.9
117.07063	2.4
119.08610	3.4
121.06535	2.8
121.10149	14.4
121.10940	1.2
122.07178	1.3
125.05994	58.2
126.06358	1.2
129.06992	0.8
130.07799	1.7
135.11702	6.0
139.08643	1.4
139.09686	1.1
145.10138	11.3
163.11185	100.0
164.11591	3.1
166.07753	0.9
181.10849	1.7
181.12224	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.55608	0.8
53.03942	1.6
55.01851	1.0
55.05497	3.2
57.03440	1.0
57.07077	22.4
59.05005	2.1
67.05495	1.3
69.03418	1.8
69.07051	3.2
69.22135	8.2
79.05480	7.6
81.03412	5.6
81.07063	5.1
83.04986	50.7
85.06521	0.8
91.05496	4.4
93.07050	7.9
95.04974	14.8
95.08613	1.3
97.06536	26.3
98.97598	12.8
105.07017	5.5
107.04953	2.2
107.08599	11.0
109.06476	1.3
111.08109	0.9
115.05710	0.8
116.98635	6.4
117.07015	2.5
119.08552	3.2
121.06483	3.6
121.10142	13.2
123.08144	1.0
125.05995	63.0
126.06341	0.9
130.07776	2.0
134.99664	2.3
135.08005	1.3
135.11665	5.1
145.10123	12.2
163.03841	1.0
163.11185	100.0
164.11536	2.6
165.06976	1.6
166.07712	1.8
181.10197	3.2
181.12231	31.6
182.12431	0.8
192.02219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03943	2.0
55.01855	1.1
55.05520	5.2
56.96555	2.6
57.03433	1.2
57.07058	2.3
59.01696	0.7
67.05508	8.7
69.07052	3.6
69.19807	8.3
71.04967	2.0
71.95252	0.9
77.03905	0.7
79.05117	0.9
79.05501	7.0
81.07053	6.6
83.04997	6.0
83.08645	0.9
85.06532	1.3
91.05472	7.9
93.07044	27.5
95.04956	4.2
95.08607	14.1
97.06535	15.5
98.96944	1.6
98.97587	31.1
105.07038	5.1
107.04970	1.1
107.08597	18.0
109.06526	2.6
109.10191	2.2
111.04435	3.9
111.08097	9.7
116.98624	10.6
117.07008	1.6
119.08563	2.6
121.06487	3.3
121.10126	2.9
123.08045	1.6
125.05990	67.1
130.07793	2.0
134.99641	2.4
135.08076	4.4
135.10716	1.3
135.11696	20.9
138.06779	9.3
139.07559	1.8
140.00230	1.7
145.10129	11.4
151.07584	1.0
153.12732	7.0
157.02237	0.8
163.03957	1.9
163.11182	18.4
181.12230	100.0
181.48009	0.8
182.12520	1.6
194.83952	1.0
203.75674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.65205	0.9
53.03935	1.1
55.01850	1.7
55.05507	2.4
56.96557	1.3
57.03431	1.2
57.07074	22.0
57.81425	0.8
58.81363	0.8
59.04996	2.8
66.97887	0.7
67.05498	2.2
69.03421	1.0
69.07066	4.1
69.14240	5.7
69.14661	3.1
77.91998	0.8
79.05499	8.2
81.03415	5.8
81.07063	4.2
83.04977	47.2
91.05450	2.5
93.07044	7.8
95.04968	14.2
95.08589	1.0
97.06527	25.2
98.97569	8.7
103.05451	0.9
105.07035	6.1
107.04952	2.3
107.08599	10.8
109.06535	1.0
111.04380	0.8
116.98595	5.2
117.07016	2.7
119.08560	3.6
121.06481	3.1
121.10145	13.0
123.08032	1.0
125.05989	66.4
126.06277	1.2
130.07756	1.4
134.99626	1.8
135.08038	1.0
135.11691	5.9
135.12569	0.8
145.10114	12.0
163.03894	1.4
163.11176	100.0
164.11528	2.1
165.07018	1.8
166.07813	1.6
181.10187	3.3
181.12227	28.5
182.12468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03940	0.7
59.89046	0.4
61.60416	0.4
63.02376	0.4
65.03939	0.6
70.77952	1.0
79.05492	4.1
84.97748	0.4
86.75660	0.4
89.03924	21.5
91.05476	1.4
93.03404	0.6
93.07025	0.5
95.04956	0.6
98.20790	0.5
98.97587	1.3
107.04961	6.0
111.04462	0.9
116.98604	0.8
117.03386	24.8
117.07052	0.4
119.04910	0.5
121.06561	0.6
135.04425	38.0
136.04718	0.4
139.03918	1.2
145.02856	24.4
145.03839	0.8
152.59848	0.4
163.03912	100.0
164.04233	1.9
181.04976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03594	0.3
53.03928	1.0
58.76875	0.4
63.02369	0.8
69.95670	1.4
77.03918	0.4
79.05500	4.2
89.03918	20.2
90.04240	0.6
91.05479	1.4
93.03351	0.8
95.04964	0.4
100.12387	0.3
105.04482	0.6
107.04958	5.3
111.04434	0.6
117.03381	24.2
119.04883	0.5
121.08419	0.5
135.04411	38.7
136.04742	0.5
139.03876	0.5
145.02850	26.3
146.03215	0.7
163.03902	100.0
164.04257	1.6
177.39621	0.3
181.05000	0.5
186.05586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03951	0.8
54.66206	0.4
54.67702	0.4
55.01862	1.1
55.05499	2.4
56.96565	2.0
57.03435	0.7
57.07085	2.4
59.05006	3.6
65.03952	0.7
67.05500	2.4
69.03415	1.7
69.07075	3.4
70.78152	1.1
71.95242	0.6
79.05490	6.9
81.07057	7.7
83.04976	2.3
83.08603	1.0
84.42813	0.4
91.05471	4.5
93.07043	19.3
95.04963	2.1
95.08607	15.6
95.14661	0.3
97.06528	2.9
98.97583	23.0
103.05471	0.5
105.07022	4.2
107.04948	1.3
107.08591	32.5
108.08896	0.6
108.58102	0.4
109.06516	1.0
109.10149	2.5
111.04455	1.4
111.08076	1.2
116.97266	0.5
116.98620	10.3
116.99454	0.6
117.07016	1.1
119.08569	4.5
120.09341	0.6
121.06503	5.3
121.10136	18.5
123.08051	3.6
125.06000	5.3
130.07808	0.8
134.99651	2.7
135.04349	0.8
135.08052	1.5
135.11690	41.4
136.07582	0.4
136.12048	0.7
137.05971	0.5
137.09627	0.7
137.13235	1.5
139.07545	7.2
140.00175	0.7
145.10114	12.2
149.06004	0.7
153.06787	0.4
153.12704	2.5
158.01228	0.6
163.03888	1.1
163.11185	30.6
164.11484	0.6
180.37889	0.4
181.04962	1.2
181.12228	100.0
182.12614	1.9
193.22060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.75098	0.8
53.03951	2.3
55.05513	33.1
56.96560	2.4
57.03429	2.1
57.07082	11.8
62.45419	0.6
63.33113	0.7
65.03950	0.8
67.05503	9.1
68.58144	0.7
69.03434	2.7
69.07065	4.1
70.74006	1.5
70.74349	1.1
74.33332	0.8
77.03919	0.9
79.05494	7.2
79.57954	0.8
81.07056	9.2
83.04977	15.3
85.06542	3.9
91.05481	7.7
93.07044	24.2
95.04969	4.9
95.08614	18.5
97.06533	11.6
98.97585	10.1
103.05470	1.1
105.07034	9.1
107.04962	1.5
107.08595	33.6
109.06519	7.6
109.10154	3.7
111.04444	100.0
111.08075	8.1
112.04794	0.9
113.06003	4.5
116.98607	3.9
117.07029	4.2
119.06074	0.8
119.08559	2.4
120.09351	0.8
121.06540	4.3
121.10133	3.4
122.07305	2.2
123.08044	2.1
125.05995	47.3
125.09643	1.0
127.07541	3.4
130.07771	3.4
134.99644	0.9
135.04436	0.8
135.08064	23.3
135.11691	23.9
137.13301	1.0
138.06769	3.1
139.07536	2.5
143.08577	0.8
145.10121	20.1
153.12718	6.7
163.03931	0.9
163.11186	20.8
169.00398	0.7
181.12236	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	180.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01854	0.3
56.96571	0.3
58.06591	1.7
60.08165	14.8
65.03925	0.3
69.69168	0.7
69.69581	0.7
70.06589	0.9
71.62256	0.3
77.03942	0.5
79.05497	0.5
81.03429	0.4
83.43502	0.2
84.08141	0.7
88.03980	0.3
91.05477	4.8
92.05831	0.3
93.07041	9.0
95.04970	1.2
96.08162	0.3
98.97592	0.6
103.05467	5.0
105.04526	0.5
106.06545	0.5
107.04974	1.0
108.04467	0.9
108.08147	0.3
110.06060	0.3
111.04454	0.7
112.55753	0.5
117.03397	0.4
119.04941	0.5
120.05299	0.4
120.08110	0.4
121.06503	100.0
122.06850	1.0
126.55466	0.4
134.06032	0.9
135.03493	0.3
135.04388	1.3
135.06758	0.5
136.07582	0.4
136.98663	0.3
137.05983	0.4
139.03920	1.0
148.04771	0.7
152.07053	0.7
155.25153	0.3
158.37085	0.3
162.09082	0.5
163.03912	1.6
165.07843	1.2
180.03886	0.4
180.06561	0.8
180.10320	2.8
180.13823	21.8
181.02589	0.4
181.14148	0.3
196.92036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01882	0.3
60.04521	0.3
60.08170	12.4
70.06590	1.6
71.42367	0.5
76.02223	0.4
77.02558	0.3
77.03903	0.4
78.01774	0.3
79.05505	0.4
80.05069	0.3
81.03416	0.3
83.04994	0.5
84.08149	0.3
88.03994	5.3
91.05491	4.0
92.05812	0.3
93.07050	8.3
94.06540	0.3
95.04969	1.0
103.05478	5.9
104.04750	0.3
105.04541	0.5
106.06574	0.4
107.04964	0.8
111.04469	1.6
116.07088	1.3
119.04945	0.4
120.08183	0.4
121.06513	100.0
122.06853	1.4
124.07619	0.4
134.06030	1.2
134.08122	0.7
135.06766	0.3
136.07561	0.4
137.05978	0.6
138.05467	0.5
141.75285	0.3
152.07066	1.1
159.39041	0.3
162.06577	0.5
162.07802	0.3
162.09108	0.6
163.03882	0.4
165.07866	2.5
180.03973	0.3
180.06604	1.4
180.08731	1.6
180.10213	4.5
180.13838	20.5
181.09726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
53.03928	0.2
55.01878	0.2
56.96558	1.3
57.69152	0.2
58.06593	0.2
67.05501	0.4
68.38170	0.2
69.03426	0.4
71.04986	0.3
71.49855	0.3
79.05498	0.5
80.05003	0.4
81.03441	0.2
81.07065	0.3
91.05465	1.9
91.49473	0.2
92.05801	0.2
93.07049	3.0
94.06543	0.4
95.04966	0.6
95.06889	0.3
95.08599	0.3
98.97573	2.7
103.05468	8.9
105.07008	0.3
106.06562	0.4
107.08604	0.2
108.04475	0.3
110.06033	0.3
112.07607	0.7
116.98629	2.1
118.06581	0.3
120.08104	100.0
121.06503	5.8
121.08443	1.6
121.10123	0.3
124.03940	0.3
125.05955	0.3
131.04930	1.3
134.06036	0.6
134.09599	0.3
134.99669	0.9
135.04465	0.3
135.08049	0.4
136.07504	0.3
137.06010	0.3
138.05469	0.2
138.09148	0.4
140.00133	0.3
148.04785	0.5
152.07054	0.4
162.05490	0.4
162.09148	1.7
163.03954	0.3
163.07558	0.7
163.11240	0.4
165.09071	0.2
175.02803	0.8
180.03740	0.6
180.06587	0.7
180.08121	1.1
180.10150	2.7
180.11519	0.3
180.13753	0.3
181.05031	0.3
181.12296	0.2
193.03799	0.2
199.84816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
53.03930	0.3
67.05490	0.2
69.03417	0.4
71.03988	0.3
77.03936	0.4
79.05504	0.9
82.06586	0.3
85.02908	0.7
89.03896	1.1
91.05475	1.2
92.05838	0.2
93.07043	3.1
94.06544	0.3
95.04980	0.4
95.06866	0.2
98.97581	0.6
103.05468	8.4
103.06155	0.4
105.07047	0.5
106.06576	0.5
107.04939	0.3
107.93581	0.2
108.04429	0.3
111.04479	0.2
112.07565	0.2
117.03378	1.3
118.06555	0.4
120.08105	100.0
121.06506	5.4
121.08421	1.6
121.10171	0.2
124.04768	0.3
124.07576	0.3
131.04878	1.0
134.03215	0.2
134.06021	0.6
135.04437	1.9
135.08058	1.1
138.09123	0.2
139.03867	0.2
145.02846	1.2
152.04401	0.3
152.07042	0.4
162.05511	0.6
162.09157	0.5
163.03906	4.3
163.07542	0.6
165.05449	0.3
180.03783	2.9
180.06557	0.6
180.07869	0.6
180.08701	0.2
180.10077	2.1
181.05023	0.4
181.10555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	3.4
55.01871	9.3
55.05513	11.4
56.96552	5.0
57.03442	10.3
57.07061	2.7
58.99568	1.0
59.04992	1.9
60.08145	1.4
63.84076	0.8
65.03931	2.9
67.01859	1.0
67.05503	46.7
67.22741	0.7
68.05831	1.0
68.99766	2.4
69.03432	4.9
69.07066	11.7
69.62030	5.5
69.62568	0.8
71.04997	6.9
76.02222	2.7
77.03914	2.6
79.05495	34.7
81.03407	4.7
81.07054	100.0
83.04971	10.0
83.08605	5.9
84.08151	0.9
85.02902	1.3
85.06540	8.6
85.94617	0.8
86.03661	0.9
89.03918	1.6
91.05478	48.8
93.07043	46.4
93.07552	0.8
94.06569	21.9
95.04967	12.1
95.08605	81.3
96.08906	1.4
97.06530	30.2
97.96793	1.2
98.97558	2.2
99.04409	0.9
99.08099	9.7
103.05492	1.5
105.03380	2.6
105.04516	1.1
105.07029	47.9
107.04964	1.1
107.08593	24.6
108.04452	1.5
109.02856	3.2
109.06514	8.2
109.10153	12.0
110.01261	1.7
110.97585	1.1
111.08105	6.3
113.09618	1.6
115.05466	1.2
116.00275	0.8
116.01679	0.9
117.02048	2.4
117.03380	1.7
117.06992	3.7
119.04090	1.4
119.04944	13.3
119.08580	65.7
120.04425	1.0
120.08070	1.7
120.08878	1.5
121.06489	4.6
121.09332	1.5
121.10145	21.6
121.52060	2.4
123.04418	12.7
123.08062	13.0
123.11699	2.7
126.02591	1.9
128.52844	1.0
128.98601	1.1
130.52544	1.5
131.08565	1.4
133.02826	8.9
133.06517	4.8
133.10130	44.7
134.05986	0.9
135.04404	2.7
135.08052	1.2
135.11693	38.1
135.12729	2.0
136.05156	1.7
137.05980	11.9
137.09624	8.3
137.13240	3.2
143.10611	0.8
146.03584	1.3
147.03409	1.0
147.04420	15.9
149.02353	0.9
151.03893	6.0
151.05022	1.6
151.07501	4.7
151.11186	3.9
151.14856	0.8
161.02335	1.6
161.05981	4.3
161.09633	4.2
161.13255	93.8
162.06660	1.4
162.09068	1.3
162.13556	2.0
164.04774	1.5
165.16682	1.0
179.03389	39.6
179.07098	22.0
179.10611	9.8
179.14302	98.2
180.03792	1.1
180.06461	0.9
180.10197	1.7
180.14665	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03928	3.4
55.01864	3.9
55.05502	5.2
56.96339	1.1
56.96563	11.2
57.03419	5.1
57.07078	1.5
59.04983	2.0
60.08150	1.7
67.05505	24.6
69.03415	4.6
69.07057	4.3
70.06487	1.0
70.98097	1.5
71.04977	4.9
71.49561	1.5
73.02896	2.2
79.05496	11.7
81.03432	7.5
81.07055	29.2
83.08612	1.2
85.02901	2.3
85.06545	1.3
86.03677	1.4
87.04472	1.8
89.03917	2.1
91.05488	11.9
93.07043	28.0
94.06572	36.8
95.05000	6.7
95.08605	39.4
97.06516	2.7
97.96806	4.0
97.99180	2.2
98.97567	7.7
98.98466	2.1
99.04402	2.1
100.05170	1.3
101.00756	1.4
105.03374	1.5
105.07034	29.2
107.08589	8.4
109.02877	4.5
109.06509	4.3
109.10156	7.5
110.01274	2.7
110.97561	2.2
111.08073	1.5
115.97836	1.2
116.98615	2.3
117.02085	5.6
119.04931	5.6
119.08591	33.6
120.04464	2.1
120.08138	1.4
121.10143	48.6
121.52055	4.6
123.04445	18.8
123.08069	64.5
124.08423	1.3
126.02570	3.5
128.52812	1.9
128.98608	2.7
130.52583	3.1
131.00137	1.7
133.02849	11.0
133.06468	4.0
133.10136	13.6
133.98788	1.2
134.99675	1.2
135.03122	1.4
135.04291	1.4
135.11681	3.6
136.02135	1.7
137.05957	2.8
137.07104	1.2
137.09607	11.4
137.53358	4.5
138.05592	1.4
139.53123	1.5
141.09094	6.5
146.53845	2.5
147.04408	6.1
148.04842	1.3
151.03891	4.9
152.07066	1.5
152.85063	1.2
161.05986	4.4
161.09575	3.1
161.13254	69.8
162.05527	1.7
162.09192	5.5
162.13631	1.3
164.03964	1.7
178.07848	1.7
179.03380	45.4
179.06493	11.3
179.08591	3.5
179.10660	3.8
179.11768	6.1
179.14307	100.0
180.06586	2.3
180.10196	2.4
180.14630	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02361	1.5
53.03933	3.8
55.01868	6.9
55.05509	8.2
56.96565	9.3
57.03440	10.0
57.07072	2.2
59.04975	2.4
60.08153	2.0
65.03922	2.6
67.05507	35.7
69.03417	3.7
69.07069	10.3
70.98109	1.3
71.05000	5.1
71.49339	1.1
71.49755	1.8
73.02894	1.1
74.59932	0.9
75.04440	1.4
76.02226	4.9
77.03875	1.4
79.05492	30.0
80.10459	1.0
81.03395	4.6
81.07056	100.0
81.27254	1.0
82.01825	1.3
83.04989	7.7
83.08597	4.5
85.02882	3.0
85.06551	9.9
89.03903	1.8
91.05482	42.0
92.05795	1.1
93.07045	39.4
94.06571	33.8
95.04968	7.6
95.08606	69.4
96.01530	1.9
97.06530	14.9
97.96774	3.6
97.99181	2.2
98.97582	5.3
99.08090	8.5
100.05165	1.2
103.05486	1.8
103.50979	1.1
105.03372	2.5
105.04506	1.4
105.07030	44.9
106.06535	1.1
107.04964	1.5
107.08595	18.9
109.02846	3.4
109.06512	7.3
109.10167	8.7
110.01268	3.4
111.07388	1.1
111.08068	6.4
112.51463	1.5
112.99126	1.4
115.05413	1.8
115.97838	1.8
116.98622	2.3
117.02042	4.0
117.03354	1.0
117.07023	1.9
119.01807	1.9
119.04105	1.9
119.04948	23.3
119.08582	57.0
120.04531	1.3
120.08891	1.2
121.06499	2.0
121.10154	13.5
121.52071	2.3
123.04421	12.8
123.08084	11.3
123.11726	1.0
126.02594	5.1
128.52821	2.9
130.52538	2.4
131.00134	2.4
131.08583	1.5
133.02863	7.6
133.06500	5.4
133.10130	35.0
135.04436	2.6
135.11690	29.0
136.05151	3.1
137.06021	8.6
137.07019	2.1
137.09569	5.8
137.13271	1.6
137.53366	3.3
144.57275	1.2
146.03645	1.2
146.53870	1.3
147.04428	24.2
149.07961	2.1
151.03897	4.0
151.07574	8.0
151.11212	2.9
152.06949	1.2
161.05978	6.0
161.09615	3.7
161.13257	79.8
162.06659	1.6
162.09105	2.1
162.13600	2.6
163.03859	1.2
164.04739	2.1
168.67281	1.0
179.03415	33.0
179.07159	19.6
179.08771	3.5
179.10419	9.1
179.11761	2.9
179.14307	94.3
180.03709	1.4
180.08031	2.2
180.14635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	3.5
55.01865	4.1
55.05515	20.1
56.96556	5.1
57.03441	7.9
57.07066	6.7
59.04981	1.8
65.03937	3.6
67.05508	96.2
69.03428	10.3
69.07074	15.9
71.05007	9.3
79.05497	24.5
81.03432	8.5
81.07060	71.7
83.04963	4.3
83.08602	3.1
85.10174	1.8
91.05480	19.8
93.07043	32.3
94.06024	2.4
94.06576	22.6
95.04963	24.1
95.08612	100.0
97.06550	2.8
98.21561	3.2
98.97590	4.6
98.98425	1.6
101.15697	1.4
103.05426	1.9
105.04489	2.2
105.07037	20.4
107.08591	16.1
109.06508	13.8
109.10162	55.5
110.01270	3.1
110.97585	2.2
111.07928	1.5
117.02065	2.8
117.07009	3.5
119.04966	2.6
119.08588	19.5
121.10137	6.4
123.04414	8.1
123.08079	16.9
128.52800	2.5
133.02853	6.6
133.10129	10.8
135.04407	1.5
135.11688	9.1
136.02151	1.7
136.08932	1.6
137.09622	23.8
137.13216	2.1
137.53394	3.4
147.04431	3.3
151.03937	2.5
151.14847	10.2
161.06180	1.7
161.13277	11.4
162.09152	2.5
179.03412	23.0
179.06319	9.6
179.10623	4.0
179.11841	3.4
179.14308	60.5
180.10143	2.7
195.86642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41596	0.4
50.94903	0.4
56.14993	0.4
56.96559	0.9
57.07060	0.9
59.99973	0.4
63.32676	0.4
69.95596	1.1
69.96008	1.2
71.35989	0.4
73.87225	0.4
82.01451	1.5
82.99845	3.2
91.05467	1.0
94.06564	1.4
95.04897	0.4
98.97586	1.4
100.02486	2.3
100.97202	1.0
100.97948	0.5
101.00884	44.8
102.00951	0.8
115.00609	0.7
115.02441	3.5
118.03529	0.8
119.01923	100.0
120.02003	3.4
123.04482	0.5
133.01657	1.7
133.03481	9.7
137.02953	19.0
138.04010	0.5
138.96411	0.8
142.03513	1.0
143.01923	1.5
147.04346	1.2
151.04559	2.1
156.02017	0.6
156.03236	0.7
156.03709	0.5
156.05057	5.8
156.97530	1.4
157.03502	1.0
161.02960	23.9
162.03163	1.1
173.03017	0.6
174.03098	1.3
174.06161	1.4
174.98573	0.4
179.04024	27.1
179.06598	1.1
179.10756	0.7
180.04073	0.6
194.00511	0.4
197.00656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03937	3.4
55.01874	14.9
55.05503	6.0
56.96550	1.1
57.03424	1.3
57.38895	1.0
59.04993	3.5
65.03941	2.1
67.05505	8.4
69.03427	4.7
69.07067	1.3
71.49171	1.7
76.02197	1.4
77.03938	1.7
79.05498	12.9
81.03403	1.9
81.06598	2.0
81.07063	39.8
82.26729	0.9
83.04990	1.7
84.84225	1.0
89.03907	2.5
91.05483	25.9
93.06506	1.5
93.07050	18.3
94.06568	9.3
95.04973	7.2
95.08597	5.5
97.06573	1.1
103.05447	1.3
105.03387	4.3
105.04545	1.5
105.07040	38.9
107.04938	1.7
107.08602	31.8
109.06506	17.1
109.10151	8.4
111.04441	4.0
115.05444	2.6
116.01625	1.1
117.02036	1.2
117.03384	1.8
117.07008	2.7
119.04940	8.7
119.06077	4.8
119.08586	9.4
120.08125	1.0
121.06506	8.0
121.10171	3.1
123.04439	16.7
123.08045	3.8
123.11691	3.6
125.05977	2.1
128.06248	2.6
130.51421	1.0
131.08548	4.9
133.02856	11.7
133.06506	2.1
133.10135	74.2
134.10463	1.2
135.04404	3.0
135.08066	2.7
135.11708	2.4
136.05148	1.7
137.05986	100.0
137.09590	10.5
138.06395	2.0
143.08559	4.0
146.07246	2.6
147.03406	2.0
147.04417	7.0
151.03928	4.1
151.07538	1.9
151.11172	4.7
161.02364	1.3
161.05972	2.7
161.09624	28.9
161.13268	2.5
179.03401	39.0
179.06963	5.8
179.10669	73.1
179.14243	3.4
180.03868	1.4
180.06540	1.0
180.11058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.71975	0.4
51.02374	0.5
52.02141	0.5
53.03935	1.6
54.40596	0.4
55.01870	1.2
58.99584	2.2
65.03927	0.5
67.05495	1.7
68.99774	1.5
69.03450	0.5
69.88451	1.3
69.88860	0.9
76.02233	7.2
77.03925	3.6
79.05496	2.1
81.03425	0.7
81.07063	1.1
86.98991	0.4
89.03931	5.6
91.05468	2.7
94.06577	3.6
95.04975	3.3
95.08617	0.7
96.45190	0.4
98.20818	0.6
105.03390	7.8
105.04465	0.5
105.07023	2.1
107.04294	0.4
107.04933	2.2
107.08591	1.1
108.99734	0.4
109.02859	0.6
109.06528	0.5
109.10147	0.6
115.05430	0.5
116.01671	2.0
117.03378	3.8
119.04001	0.4
119.04955	1.9
119.08572	1.4
120.03616	0.4
120.08140	0.8
121.06457	0.6
121.10152	0.9
123.04432	21.1
123.05334	1.0
123.08065	1.2
133.02853	36.0
133.06474	1.0
133.10127	1.8
135.04414	7.5
137.05969	1.8
137.09618	0.6
141.54604	0.5
145.03969	1.1
147.03384	0.6
147.04401	1.2
151.03912	4.6
161.02342	2.3
161.05978	1.0
161.09596	1.0
162.02196	0.9
179.03394	100.0
179.06712	2.3
179.10588	1.1
179.11906	0.7
179.14311	1.6
180.03711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02391	0.6
53.03955	0.8
55.01878	0.8
57.03426	0.3
58.50056	0.2
59.05000	1.1
61.46232	0.3
65.03934	0.3
67.05498	1.9
68.99782	0.7
69.03426	0.4
69.80410	0.5
69.80807	1.5
70.90318	0.3
76.02230	0.6
77.03934	2.0
79.05488	1.2
81.03433	0.6
81.07059	0.5
81.93663	0.3
89.03908	2.3
91.05474	2.0
93.07044	0.5
93.73804	0.3
94.06563	2.5
95.04967	2.5
95.08616	0.8
99.80721	0.3
101.39766	0.3
105.03391	6.1
105.04475	0.6
105.07031	1.2
107.04971	2.1
107.08599	0.6
109.02873	0.9
109.06528	0.5
115.05449	0.4
117.03397	1.2
119.04934	1.7
119.08580	0.4
121.06503	0.5
123.04428	41.5
123.08058	1.0
133.02852	32.8
133.06514	1.1
133.10117	0.9
135.04405	4.6
136.07539	0.5
137.05981	0.8
147.03436	0.4
147.04437	2.1
151.03908	10.8
151.07561	1.2
151.38495	0.3
155.33060	0.3
161.02353	2.5
161.05992	0.8
161.09644	0.4
161.13303	0.4
162.06721	0.4
164.40430	0.3
170.45047	0.3
179.03391	100.0
179.06674	2.5
179.10567	0.7
179.11891	0.7
179.14256	0.6
180.03844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03945	1.6
55.05513	10.3
57.07073	1.7
65.03958	0.8
67.05507	7.7
69.03411	0.6
69.07072	27.3
70.06599	1.2
70.84104	1.5
71.18408	0.6
78.04693	1.2
79.05493	12.3
81.07058	14.9
83.03996	0.7
83.04972	1.1
83.08617	15.1
89.03919	16.2
91.05481	11.6
93.07045	33.6
95.04964	1.4
95.08607	34.1
97.10195	3.6
97.10810	0.6
98.98473	7.7
100.80758	0.6
103.05475	2.4
105.07039	9.7
106.04166	3.0
106.07796	1.3
107.04939	1.6
107.08595	66.3
108.08908	1.3
109.06533	1.1
109.10159	12.2
115.05450	1.7
117.03381	27.5
117.07030	4.6
118.03697	0.9
119.06047	0.6
119.08568	3.9
121.06499	2.7
121.10144	100.0
122.10436	1.2
123.08025	1.1
129.06998	0.8
131.08559	2.9
132.04407	0.7
133.07663	0.7
133.10118	2.1
134.03656	4.5
134.07315	0.8
135.04395	2.2
135.08041	2.3
135.11694	17.1
135.12723	1.0
144.09372	1.1
145.02843	31.2
145.06493	2.1
146.03128	0.9
149.02328	1.5
149.05984	9.2
149.09592	3.8
149.13260	9.3
159.08009	0.9
159.11705	3.7
160.07664	1.0
162.03131	1.7
162.06737	2.4
163.03926	1.6
165.53325	0.6
170.04605	0.7
177.05466	13.9
177.09096	19.7
177.12816	7.0
177.16388	54.2
199.19543	0.7
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
50.43966	0.7
51.02395	0.7
55.01863	0.9
55.56639	0.6
63.02398	1.3
67.61913	0.6
70.01975	3.4
70.02364	1.1
77.03936	0.9
78.04710	4.3
81.07085	0.8
89.03924	50.8
91.05494	3.5
93.07050	0.8
98.21534	0.7
98.98472	2.5
99.56876	0.7
103.05479	2.1
106.04192	4.8
117.03386	84.9
118.03722	1.7
121.06508	1.7
129.04466	0.7
132.04465	1.1
132.08093	1.4
134.03639	12.8
135.04454	5.1
136.93182	0.7
145.02855	100.0
146.03172	2.1
149.05983	27.0
160.07596	8.7
162.03120	2.5
163.03943	6.1
177.05481	32.8
177.09117	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.11724	0.5
51.42015	0.4
53.03946	1.4
55.05511	11.0
57.07067	1.9
65.03939	1.3
67.05505	7.0
69.03425	0.7
69.07070	28.0
70.07408	0.4
71.26379	0.5
71.49595	0.9
77.03934	0.7
78.04694	0.8
79.05496	13.9
81.06594	0.8
81.07058	15.4
83.08623	14.2
89.03921	9.1
91.05477	10.7
93.07044	34.6
94.07355	0.7
95.04971	1.3
95.08610	40.1
96.08927	0.6
97.10191	3.3
98.98465	6.3
103.05466	1.7
105.07027	9.1
107.04939	1.0
107.08596	67.3
108.08917	1.1
109.06516	1.1
109.10165	12.2
115.05401	0.6
117.03379	13.5
117.06941	0.6
119.06046	0.7
119.08583	2.6
121.06559	1.3
121.10146	100.0
122.10499	1.6
123.08093	0.9
131.08617	0.9
132.04472	0.7
132.08112	0.8
133.07602	0.9
133.10118	1.3
134.03648	2.2
135.04399	2.6
135.08023	1.8
135.10704	1.0
135.11693	15.3
145.02849	15.7
146.03313	0.6
146.08731	1.6
149.02376	1.0
149.06000	5.7
149.13245	5.9
159.08086	0.7
159.11746	0.9
160.07588	5.4
162.03094	0.6
163.03911	1.2
175.14908	0.6
177.05460	7.6
177.06847	0.6
177.09023	2.3
177.10454	0.8
177.12807	2.0
177.16397	54.8
178.16740	1.4
194.02612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
53.84654	0.4
55.01863	0.4
55.05514	5.0
57.07087	0.5
60.05650	16.5
65.03300	0.4
65.03959	0.9
67.05497	2.8
69.03413	0.5
69.07070	11.0
70.06593	43.8
70.31860	0.4
70.55390	1.0
71.04995	0.6
71.06935	0.4
72.08151	1.9
79.05500	4.1
81.07059	17.1
83.08614	2.3
87.04454	0.4
91.05483	14.7
93.07043	6.8
95.08609	12.2
97.02895	1.4
98.03679	0.9
98.98470	16.2
103.05491	1.1
104.06264	0.5
105.07034	29.3
107.08598	7.9
109.10129	0.7
111.04404	0.5
112.08717	1.9
114.10231	0.4
115.05471	1.3
115.58942	0.4
116.06255	0.8
116.07088	13.6
117.07010	3.4
118.07852	0.8
119.04942	2.1
119.08584	63.1
120.08907	0.7
121.10151	1.5
129.07033	0.9
130.09761	4.9
131.08553	5.6
132.08080	0.5
132.09364	0.7
133.10132	100.0
134.10481	2.1
142.07796	0.6
144.08070	2.3
145.10109	5.3
146.10880	1.1
147.04430	1.6
147.08064	0.5
147.11682	10.7
148.11990	0.4
157.10040	0.8
158.06058	0.6
158.09251	3.2
158.10519	0.5
160.05226	0.9
160.12465	2.7
173.13272	1.3
175.03905	1.1
175.06052	0.6
175.07495	3.3
175.11865	7.0
175.14827	66.9
176.15186	1.3
191.67812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03948	1.5
54.73686	0.6
55.05514	8.3
57.07055	1.1
57.81048	0.7
60.05653	15.5
65.03935	1.4
67.05502	3.4
69.03445	1.2
69.07072	22.6
69.81516	0.7
70.06596	51.2
71.04980	1.1
71.06925	0.9
72.08158	1.8
79.05508	2.7
81.07063	9.8
83.08621	4.5
87.04476	0.9
91.05482	21.6
93.07047	3.9
95.08603	7.0
97.02883	1.4
98.03695	0.9
98.98473	25.8
105.07039	31.1
107.08598	6.9
112.08738	1.6
115.05469	2.1
116.07106	15.3
117.07013	4.1
119.04940	5.1
119.08589	99.3
120.08875	1.3
121.06496	0.7
121.10143	3.4
129.06944	1.2
130.09778	5.6
131.08583	5.1
132.09355	0.9
133.10139	84.1
134.10524	1.4
135.11679	1.1
144.08095	3.8
145.10143	8.1
146.10931	1.0
147.04410	2.3
147.08029	1.3
147.11697	13.6
157.10081	1.0
158.06073	0.9
158.09256	3.6
159.11697	0.9
160.05255	1.7
160.12500	4.7
173.13281	2.8
175.03969	1.8
175.07555	8.8
175.11873	9.0
175.14833	100.0
176.15161	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05513	2.9
60.05648	5.8
65.03934	0.3
67.05505	1.1
69.03442	0.4
69.07068	5.8
70.05131	0.2
70.06593	16.2
70.46021	0.6
71.04983	0.4
72.08162	0.6
79.05502	1.4
81.07056	6.6
83.04971	0.2
83.08601	1.1
87.04446	0.3
91.05476	5.3
93.07035	2.5
95.08061	0.4
95.08613	4.5
97.02888	0.6
98.21438	0.2
98.97865	0.4
98.98468	5.6
103.05466	0.9
105.07030	13.5
106.07289	0.2
107.08594	3.1
109.10152	0.3
109.80260	0.2
111.62772	0.2
112.08725	0.5
115.05434	1.5
116.06365	0.2
116.07096	4.9
117.05812	1.1
117.07018	5.6
118.06543	1.2
119.08579	32.0
120.08848	0.4
121.10143	1.1
128.04881	0.3
128.06239	0.3
129.06998	0.2
130.06529	0.4
130.09782	2.0
131.08563	2.3
132.08089	20.3
133.10127	33.5
134.10555	0.3
143.07323	2.4
144.08081	100.0
145.06470	0.5
145.08414	2.1
145.10127	2.7
146.10904	0.8
147.04449	0.3
147.11685	5.5
155.06032	0.8
158.05971	0.3
158.09291	1.3
159.11659	0.4
160.12514	1.3
173.13228	1.1
175.07491	0.5
175.11917	2.9
175.14821	31.0
176.15167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.06503	1.0
54.26659	0.9
55.05509	8.9
56.99390	0.9
57.07070	0.9
59.14326	0.8
60.05648	7.3
64.16166	0.8
67.05481	3.0
69.07071	27.1
69.96014	4.0
70.06596	19.2
71.04967	1.1
72.08160	1.3
79.05499	4.1
81.06647	1.2
81.07067	12.5
83.08629	4.5
89.44898	0.8
91.05483	10.5
93.07046	6.3
95.08614	11.5
97.74373	0.9
98.98474	6.9
103.05428	1.3
105.07034	34.9
107.08582	8.2
112.08714	1.2
113.33682	0.8
116.07091	5.1
117.07005	4.3
119.08586	95.0
120.08875	1.1
121.10135	2.7
129.07114	0.8
130.09740	2.3
131.08577	6.1
132.09328	1.8
133.10136	87.4
134.10429	1.5
144.08118	1.7
145.10136	8.4
146.10901	1.8
147.11699	13.0
158.09241	1.1
160.05110	1.0
160.12485	3.7
173.13229	2.4
175.07628	1.3
175.11832	3.1
175.14830	100.0
176.15134	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05514	7.7
57.07063	1.0
60.05650	17.4
65.03935	1.8
66.31647	0.6
67.05513	4.4
69.03415	0.9
69.07067	14.6
69.66742	2.5
69.67149	1.6
70.06593	47.3
71.04993	0.9
72.08151	2.5
79.05491	6.4
81.07055	33.2
83.08617	2.8
91.05478	21.9
93.07037	12.2
95.08607	21.2
97.02888	1.9
98.98464	20.8
103.05442	1.6
105.07031	50.0
106.07328	0.8
107.08594	12.1
109.10195	0.7
111.04433	1.2
112.08718	2.4
115.05470	0.7
116.06283	0.7
116.07093	12.6
117.07009	5.4
118.07790	0.9
119.04955	1.8
119.08582	99.3
120.08886	1.3
121.10139	3.6
125.02325	0.9
128.06262	0.8
130.06512	1.1
130.09756	6.2
131.08565	8.5
132.04465	0.9
132.08080	0.9
132.09346	2.0
133.10132	100.0
133.92935	0.7
134.10481	2.3
144.08087	3.6
145.10124	6.2
146.10887	3.0
147.04378	1.8
147.08002	1.3
147.11682	16.1
158.09241	4.6
160.05197	2.4
160.12440	3.6
173.13260	1.6
175.03946	1.9
175.07509	6.1
175.12094	9.3
175.14821	91.4
176.15152	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	D-Arginine
Peak:m/z	Relative Intensity
55.05485	0.2
60.05651	36.1
60.55850	0.2
63.00505	0.2
68.05019	0.2
70.06595	100.0
70.83580	0.5
71.04991	1.7
71.06934	0.4
72.08159	4.7
72.08552	0.4
74.92409	0.1
79.58511	0.2
82.30004	0.2
84.08154	0.4
88.07639	0.5
88.56106	0.2
91.81727	0.2
93.65166	0.2
97.07663	0.7
98.06068	0.3
112.08736	4.8
113.07127	0.3
114.10284	0.8
115.08705	0.6
116.07097	28.4
130.09769	13.5
133.09744	0.3
141.06540	0.3
157.10829	1.3
158.09259	7.8
160.04906	0.2
170.64737	0.2
175.11913	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	175.123
Annotation	N-Methyltryptamine
Peak:m/z	Relative Intensity
60.05634	0.3
62.46885	0.2
62.65501	0.2
70.06602	1.2
71.15168	0.2
71.15501	0.2
87.51017	0.2
91.05508	0.2
95.22431	0.2
98.98462	0.5
102.43274	0.2
103.05470	0.3
115.05481	1.1
117.05760	0.8
117.07012	3.8
118.06574	1.1
118.07275	0.2
119.08611	0.2
128.04971	0.2
130.06598	0.2
132.08090	22.4
133.08430	0.3
143.07312	2.5
144.08083	100.0
145.06508	0.2
145.08424	1.4
155.06059	0.9
157.52016	0.2
157.55949	0.2
167.21649	0.2
175.12227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.88816	0.7
55.05510	7.0
59.04996	1.9
67.05502	2.4
71.01068	1.0
71.01402	0.8
72.93787	2.3
79.05505	3.2
81.07061	5.6
83.04984	8.4
86.09685	1.4
87.05556	0.7
90.94817	2.1
91.05480	11.3
93.07031	1.8
95.08628	1.1
101.06001	4.8
103.05471	1.0
105.07028	13.5
106.07377	0.7
107.08585	0.7
111.04433	9.4
111.05136	1.2
113.05989	0.8
115.05438	2.9
116.06264	3.5
117.05759	4.2
117.07008	7.3
118.06526	3.6
119.08585	11.8
125.53033	0.6
125.62135	0.6
127.07585	1.2
128.06203	2.0
129.05444	0.8
129.07004	10.8
130.06514	10.3
130.07747	2.9
131.08562	100.0
132.08083	32.5
132.08888	1.2
133.10121	1.6
134.29593	0.6
142.06564	1.6
142.07668	0.9
143.07387	1.0
143.08542	17.5
144.08081	7.0
144.09319	9.4
145.10117	34.5
155.07021	5.4
156.09364	1.4
157.10062	0.9
158.02130	0.8
158.08417	5.4
158.10907	24.4
160.07529	2.0
171.11664	1.8
173.08282	7.7
173.10861	23.3
173.13246	87.4
174.13594	1.6
174.14925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	45.0
59.07381	30.9
59.07658	0.4
60.05661	0.8
60.08163	12.6
69.07049	1.8
70.06596	1.9
71.17905	0.6
73.02921	1.9
73.06544	1.1
97.06526	0.5
102.84684	0.4
174.14894	100.0
175.11913	0.6
175.15250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	(+)-Muscarine
Peak:m/z	Relative Intensity
58.06599	30.6
59.07381	20.1
60.08163	9.1
69.07068	1.8
70.06584	1.0
71.16548	0.4
73.02909	1.1
73.06557	0.7
99.09248	0.3
119.84319	0.3
120.06366	0.3
173.86079	0.3
174.14894	100.0
175.15250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31060	0.6
55.05508	7.8
55.93521	1.0
58.07481	0.5
59.04992	1.9
59.06116	0.9
60.20260	0.7
69.07064	9.7
70.06608	1.1
70.95866	2.9
71.06119	4.0
71.26845	1.1
72.93788	16.6
73.02916	2.5
73.06563	3.9
81.03367	0.6
83.04979	8.3
84.10349	0.6
84.90990	0.6
85.07687	1.4
86.09705	100.0
87.04482	0.8
87.10023	1.2
90.90390	2.3
90.94832	12.7
91.64399	0.6
97.06527	6.9
99.04433	0.8
101.06009	5.5
103.03284	0.8
108.95864	1.3
111.04440	12.0
111.98475	2.3
113.06020	1.1
113.96385	1.4
115.07560	3.3
120.22234	0.7
127.07593	0.7
127.12316	29.4
129.05493	1.4
131.08530	0.6
131.92966	1.2
131.96153	1.6
132.10214	7.3
132.95827	7.0
146.05948	0.6
149.94043	1.5
149.96097	6.3
149.97183	1.4
150.96901	3.6
155.07011	6.0
155.11786	1.8
155.97375	1.3
156.10175	3.7
167.97142	2.9
173.08127	8.3
173.12860	47.0
173.98549	0.9
174.14871	2.3
179.84288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05511	15.1
55.93498	0.5
57.03442	0.7
57.07068	2.0
59.05000	2.6
66.01284	0.5
67.05503	4.7
69.07042	0.6
71.49567	1.1
72.93791	8.4
73.02908	0.7
76.02249	2.1
78.98985	0.6
79.05504	3.2
81.03383	0.7
81.07062	4.7
83.04977	14.1
85.06527	0.6
87.04478	1.3
89.02402	1.0
90.90372	5.4
90.94831	7.2
91.05482	17.5
93.07047	2.5
95.08598	1.0
95.17831	0.6
96.04457	0.7
99.04439	1.1
101.06013	8.9
103.03277	3.0
105.07033	11.2
107.08578	1.2
108.91414	0.8
108.95888	1.1
111.04442	16.0
113.06004	1.7
113.96397	0.9
114.05513	0.7
115.05436	1.9
116.06269	2.7
116.48685	0.6
117.07019	15.7
118.06647	0.5
119.08585	8.4
127.07554	1.9
128.06197	1.1
129.05496	4.3
129.06993	8.8
130.07791	3.9
131.08566	100.0
131.92990	2.3
132.08928	1.7
133.10118	0.8
143.08572	9.6
144.09341	5.3
145.06456	0.8
145.10121	25.7
149.94063	5.0
149.96111	2.3
155.07047	11.0
158.10907	11.5
167.97160	1.7
171.11761	1.1
172.97923	0.6
173.05894	0.7
173.08273	16.7
173.13261	80.9
174.12903	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	171.1015
Annotation	Isoboonein
Peak:m/z	Relative Intensity
51.95088	2.8
53.03930	5.5
55.01865	21.8
55.05514	57.4
57.03441	20.7
57.07076	100.0
57.79256	2.2
58.07396	2.6
61.02917	7.7
65.03924	3.7
65.22050	2.3
67.05222	2.6
67.05509	23.9
69.03434	16.2
69.07061	12.3
71.01362	17.8
71.04995	18.8
72.04519	83.7
73.02895	4.3
75.43662	2.4
79.05495	36.0
81.03416	8.0
81.07057	59.9
83.01334	4.1
83.04982	43.4
83.08619	26.1
85.02904	31.5
85.06541	43.3
88.90870	3.7
89.07153	70.3
91.05468	13.9
93.07032	15.6
95.04990	6.4
95.08595	18.5
97.02902	12.0
97.06532	9.3
99.04459	7.5
99.08076	3.1
101.02390	5.7
105.07022	7.6
107.08564	13.8
108.29820	2.7
109.06525	22.8
111.04433	17.2
111.08081	28.8
117.07033	2.8
118.44106	2.5
125.05978	2.9
125.09597	12.4
126.09129	2.9
127.07562	9.5
128.06241	7.6
129.05487	6.6
129.06999	9.6
135.08124	3.2
141.07014	9.5
141.09128	15.9
142.07758	5.8
143.03357	3.1
143.08528	13.2
153.09103	83.1
156.09326	36.8
171.10138	30.4
171.11693	42.9
171.14922	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	171.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44254	0.4
52.89627	0.4
53.03945	0.6
55.01876	4.0
55.05506	4.6
59.05023	0.5
62.52901	0.5
65.03941	28.9
67.05503	1.8
68.99789	9.1
69.03429	2.8
69.07067	0.7
69.51891	3.4
70.06591	2.1
70.94250	1.1
71.01347	0.7
71.04965	0.6
71.06937	1.1
72.04515	4.3
72.93861	0.4
79.01847	1.4
79.05490	0.9
81.03417	4.3
81.07068	0.6
83.01336	0.6
83.04985	12.0
83.08636	1.1
84.08161	0.7
88.95303	0.9
89.07163	3.4
93.03407	13.5
95.04967	0.8
96.02125	1.6
97.02916	2.3
97.06516	1.1
98.06078	0.6
107.01320	0.5
107.08602	0.4
109.02865	1.0
109.06527	0.6
111.04442	87.8
112.04771	1.2
113.02412	0.6
121.02929	1.2
121.03995	10.2
125.02362	1.1
125.03453	0.4
125.05998	1.0
125.11581	3.4
126.09100	0.5
127.03938	0.7
128.01083	0.6
139.03905	100.0
140.04218	1.1
143.03407	1.2
143.12619	0.7
147.96634	0.6
153.01833	1.4
153.06596	2.1
157.01350	0.6
171.02888	2.7
171.06610	4.6
171.12167	4.6
171.14952	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	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03943	1.2
54.33996	0.4
55.01875	3.6
55.05518	4.0
65.03941	28.6
67.05502	2.2
67.17076	0.5
68.02650	0.7
68.99792	9.6
69.03429	2.0
69.05352	0.5
70.06593	1.8
70.70908	1.4
70.94255	1.2
71.01324	0.7
71.05000	0.5
71.06940	1.4
72.04524	3.4
72.08134	0.6
72.93782	0.6
79.01865	1.2
79.05502	2.3
81.03415	5.8
81.07056	2.2
83.01335	0.8
83.04984	13.3
83.08626	0.9
88.95300	0.8
89.07159	2.3
93.03408	13.4
95.05008	0.8
96.02121	1.7
97.02901	1.9
97.06549	0.9
98.44004	0.4
101.04205	0.6
107.01321	1.0
107.04961	2.0
109.02891	2.2
109.06546	1.1
111.04443	90.6
112.04779	1.0
121.02917	1.3
121.03999	9.2
121.52270	0.5
125.02365	0.6
125.05960	1.1
125.07936	2.2
126.05536	0.5
127.03934	1.9
128.04268	0.7
130.96378	0.6
139.03902	100.0
140.04254	1.6
143.03450	0.8
143.12617	0.7
152.85968	0.5
153.01826	1.4
153.07466	0.6
156.03766	1.5
156.09329	0.5
157.01349	0.5
170.55179	0.5
171.02930	1.0
171.06580	5.0
171.08502	2.1
171.11975	0.7
171.14957	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	170.1176
Annotation	Ethyl N-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylate
Peak:m/z	Relative Intensity
55.01862	1.1
55.05516	3.4
55.93526	0.9
56.05031	1.1
59.04998	0.5
59.74131	0.5
65.03938	0.7
66.21564	0.5
67.05504	1.5
68.05029	1.6
68.99776	0.5
69.03418	0.7
69.07076	0.6
69.65617	2.6
70.06593	69.7
70.95863	0.6
71.04989	0.9
71.06927	0.5
72.04524	1.5
72.08162	2.1
79.05504	1.2
80.05034	0.7
81.03413	0.8
81.07055	1.4
82.06571	1.8
83.04964	0.6
83.08629	0.5
84.04505	1.1
84.05309	0.6
84.08163	2.2
85.02899	0.7
86.09692	0.5
88.95305	0.5
89.07156	1.0
92.04993	1.5
93.05789	2.2
96.04472	1.0
96.08131	7.7
97.02889	0.5
97.06525	0.6
98.06094	0.5
98.09692	6.8
100.07616	3.5
106.06583	0.5
107.08571	0.4
108.08115	0.6
109.02874	0.9
110.06060	1.4
110.06963	0.5
110.09694	1.1
111.04454	1.2
114.05505	0.8
115.05463	1.3
122.06053	0.4
124.03935	0.5
124.07614	8.7
124.11230	60.8
125.02395	0.5
125.06103	0.4
125.11549	0.7
125.52854	0.5
128.07074	3.1
128.95079	1.9
128.96411	0.4
134.06001	1.8
139.03918	0.9
141.05508	0.5
142.06647	0.5
142.08629	1.3
142.12276	13.7
143.11787	3.4
146.96202	0.9
146.97404	0.9
152.07048	4.5
153.01782	0.5
155.03447	0.6
156.09352	0.6
170.06116	2.6
170.08080	5.5
170.09645	5.8
170.11763	100.0
171.05566	1.2
171.12003	1.5
171.14978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.03462	0.5
55.05503	0.6
56.05042	2.8
56.33543	0.3
56.96550	0.5
61.63319	0.3
63.54005	0.3
65.03937	0.4
66.03465	2.2
68.05023	1.6
70.06590	1.0
72.08154	0.4
79.05491	1.9
80.05009	0.9
81.05797	0.7
82.06568	0.9
84.04058	0.6
84.04513	5.8
84.08142	4.0
87.00833	0.7
94.06573	0.5
95.04967	0.4
96.04485	1.7
96.08133	4.8
98.11862	0.3
99.02678	0.4
103.72148	0.4
106.06576	2.5
109.07613	0.3
114.05534	11.3
123.06773	0.9
124.03944	0.7
124.07600	9.1
124.08527	0.5
124.11198	2.4
134.06020	67.7
135.06384	1.2
142.03279	0.5
142.04994	12.1
142.08664	1.4
142.12283	4.9
146.97353	0.5
150.05553	0.4
152.07069	100.0
153.05469	0.6
153.07443	2.0
159.07195	0.3
170.04527	0.6
170.08141	13.8
170.09422	0.6
170.11742	4.4
189.33310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	(-)Arterenol
Peak:m/z	Relative Intensity
55.05503	1.9
56.05035	6.5
56.96569	0.7
58.99496	0.7
59.23466	0.8
65.03938	2.7
65.06548	0.8
67.05502	0.9
68.05055	3.9
68.99753	1.0
69.03418	4.9
69.05798	0.9
69.07029	0.8
69.92869	3.7
70.06595	80.0
70.43717	0.7
73.02900	1.8
79.05490	8.2
80.05023	1.4
81.03432	1.1
81.05788	1.1
81.07052	1.4
82.02924	1.1
82.06568	1.3
83.03675	0.8
83.04974	1.1
84.04498	3.3
84.08127	0.7
84.84879	0.8
86.06052	1.6
87.04464	1.5
93.03394	1.2
93.05758	0.9
94.06557	3.2
96.04485	1.4
96.08133	45.5
97.08444	1.0
98.21421	1.2
106.05853	1.5
106.06558	23.8
108.08124	6.3
111.04440	8.2
114.05528	1.9
114.09158	10.3
124.07594	91.5
124.11182	5.1
125.08417	4.0
127.03926	5.4
134.06012	5.2
139.03906	10.2
141.73586	0.8
142.08636	36.1
142.12285	7.3
150.87605	0.7
152.07079	9.5
155.03397	7.7
170.05743	6.4
170.08133	100.0
170.11693	5.3
171.06607	1.3
171.08461	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	170.0964
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
52.74305	0.4
55.01857	0.4
55.05504	0.6
59.64484	0.4
67.05499	0.6
69.07042	0.8
70.06570	0.8
71.04996	1.1
71.26465	0.9
72.04493	0.9
79.05519	1.0
80.05006	0.7
81.07050	0.6
82.06548	0.4
82.07373	0.7
84.04499	0.6
84.08128	0.7
89.07123	0.7
91.05504	0.5
92.04981	1.2
93.05775	0.8
95.04999	0.5
96.08124	0.7
97.06535	0.4
103.05468	1.0
108.04523	0.5
109.06516	7.3
110.06147	0.6
110.06848	17.6
111.04452	0.4
112.08408	0.4
114.03745	0.6
115.05431	2.6
117.05749	0.9
124.07607	2.2
124.08369	0.5
124.12124	0.4
128.05067	0.7
128.06226	16.2
129.07024	6.2
130.06520	8.3
130.07393	0.9
134.05983	0.5
141.06961	1.2
142.04959	0.4
142.06493	2.8
142.07735	1.9
142.08698	0.9
142.12267	2.2
143.07385	1.0
143.08557	21.7
144.08925	0.5
152.06123	0.9
152.07153	0.8
152.11507	0.8
153.06995	5.9
154.06512	14.9
155.06169	1.5
155.07291	38.0
156.07640	1.2
156.09328	1.6
160.07579	0.9
167.07350	2.5
168.08093	26.4
169.08871	3.2
170.09641	100.0
171.09967	3.3
171.11400	0.8
171.14894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.87776	0.4
53.03952	0.6
55.05522	0.9
55.99308	0.4
56.05043	2.4
56.68436	0.4
56.96566	0.8
58.06594	0.5
61.02928	0.8
64.08780	0.4
65.03948	1.1
66.03484	0.6
68.05032	2.1
69.03412	0.4
70.06599	1.9
71.48701	0.5
71.88306	0.5
75.99990	0.6
79.05495	3.1
80.05032	1.4
81.03409	0.6
81.05832	0.8
81.07042	0.7
82.06602	1.8
83.05019	0.7
83.06116	0.7
84.04510	8.6
84.08160	4.4
89.99789	0.5
93.05792	0.6
95.06127	0.6
96.04514	1.5
96.06867	2.4
96.08141	7.3
98.97610	1.4
99.00268	0.8
106.06543	2.1
108.04456	0.6
109.07674	1.5
110.06030	0.9
111.04453	1.2
113.00002	1.2
114.05534	7.0
119.01895	0.5
123.06799	1.5
124.03929	0.7
124.05031	0.5
124.07606	11.6
124.08704	2.7
124.11237	3.2
125.07153	0.5
128.07115	0.6
128.95125	0.7
134.06024	71.0
135.06349	1.8
139.03896	1.4
142.03246	0.9
142.05002	6.5
142.06062	0.6
142.08676	2.3
142.12286	6.8
152.07074	100.0
152.60381	0.4
153.05460	1.3
153.07402	2.7
170.04477	0.7
170.05911	0.7
170.08125	17.4
170.09335	1.3
170.11751	6.9
171.08488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	8-Hydroxy-p-menth-6-en-2-one
Peak:m/z	Relative Intensity
50.87654	0.2
53.03950	0.5
55.01872	0.5
55.05513	1.4
57.03439	0.5
57.07066	1.0
59.04989	0.4
65.03949	1.3
67.01868	0.3
67.05507	3.3
67.35930	0.2
68.99812	0.3
69.03429	1.8
69.07058	1.6
70.06599	0.6
71.04996	1.5
71.49574	0.3
72.04540	0.3
79.05486	2.1
81.03424	1.3
81.07055	6.9
83.04984	2.3
83.08639	0.5
85.02900	1.3
85.06548	3.1
85.94611	0.3
89.83028	0.2
91.05486	0.8
93.03395	0.6
93.05785	0.3
93.07053	1.4
95.04965	3.6
95.08606	2.8
96.08110	0.4
97.02915	0.3
97.04765	0.3
97.06528	0.7
99.04459	0.5
100.07629	0.2
105.06402	0.2
105.07004	1.4
107.08601	1.3
109.02873	1.7
109.06519	100.0
109.10152	5.5
110.06184	0.3
110.06829	1.4
111.00800	0.6
111.04462	1.5
111.08089	2.1
113.05977	0.6
115.05470	0.6
121.10123	0.9
123.04441	1.9
123.08065	3.5
123.11702	4.7
124.07572	0.5
125.06011	0.5
125.09639	0.2
126.03156	1.2
126.05496	0.3
127.03902	0.6
127.07569	0.2
128.95053	0.2
133.10123	0.8
134.06050	1.1
139.11148	0.7
141.05453	2.6
141.07024	0.3
141.08981	0.2
142.12230	0.6
143.08566	0.3
145.96562	0.3
151.03908	2.3
151.07530	0.6
151.08612	0.4
151.11183	3.7
152.03348	0.3
152.07071	2.1
163.97676	0.7
167.08441	0.3
169.05096	4.1
169.07607	22.2
169.10001	0.8
169.12224	3.1
170.08054	0.9
170.09642	1.5
177.50217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	8-Hydroxy-p-menth-6-en-2-one
Peak:m/z	Relative Intensity
53.64769	0.1
55.01851	0.1
55.05517	0.6
57.03415	0.1
57.07077	0.1
58.72987	0.1
65.03939	0.5
67.05511	1.1
69.03408	0.4
69.07074	0.3
71.04977	0.2
71.07198	0.2
73.31522	0.1
74.13149	0.1
77.61344	0.1
79.05489	1.0
81.07053	2.7
83.04969	0.3
85.06536	0.4
91.05497	0.2
93.03391	0.3
93.07030	0.7
95.04969	2.4
95.08598	0.5
97.06512	0.3
99.04476	0.2
105.07049	0.4
107.08624	0.8
109.06519	100.0
109.10152	2.0
110.06837	1.6
111.04424	0.2
111.08089	3.1
113.06053	0.2
115.05478	0.1
123.08076	0.6
123.11685	1.5
125.09635	0.2
128.06262	0.5
129.07051	0.3
130.06412	0.1
130.23311	0.1
133.10150	0.5
134.06050	0.2
141.05501	0.4
143.08527	0.8
151.03929	0.2
151.11171	3.0
152.07074	0.3
154.06506	0.4
155.07301	1.1
158.09534	0.1
168.08153	0.9
169.04994	0.3
169.07593	1.4
169.08621	0.1
169.10065	0.2
169.12225	1.1
170.09641	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	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
55.01863	1.1
58.00516	0.8
65.03947	3.8
67.01864	3.6
67.05510	5.0
68.99795	3.5
70.93861	2.1
79.05502	1.0
81.03407	1.0
81.07048	2.8
83.04971	0.9
85.02919	1.7
85.94607	1.2
93.03406	1.9
95.04980	7.1
97.06552	0.8
105.07020	0.8
107.08608	0.8
109.02912	1.9
109.06532	1.3
109.10149	3.1
111.00799	1.3
111.04470	1.9
111.08078	1.1
118.22866	0.6
123.04436	35.9
123.08044	1.6
123.11712	1.4
124.04749	1.1
125.05991	1.5
126.03139	1.6
127.03919	9.9
141.05470	5.2
151.03914	55.3
152.04218	0.9
152.07123	1.5
169.04973	100.0
169.07518	2.5
170.05400	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	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
55.01869	1.3
55.05495	0.9
65.03928	1.3
67.01588	0.6
67.01867	5.4
67.05505	5.9
68.99788	2.4
69.03424	0.9
69.07035	0.9
69.30007	0.8
69.30415	4.7
70.39693	0.5
71.04981	1.7
71.21198	0.5
79.05476	0.7
81.03410	1.6
81.07069	4.4
83.04990	2.0
85.02896	1.8
93.03423	0.8
95.04977	8.9
95.08594	1.1
97.06534	0.6
98.20804	1.2
99.04412	0.9
105.06995	0.9
107.06893	0.5
109.02894	3.1
109.06505	1.8
109.10166	2.0
111.00793	1.8
111.04460	1.4
111.08115	0.7
123.04433	38.6
123.08073	1.2
123.11681	2.1
124.04767	0.6
124.07589	0.9
125.05944	1.2
126.03149	1.6
127.03923	10.8
134.06032	1.2
139.12425	0.6
141.05469	4.5
145.96819	0.7
151.03909	54.3
151.11186	1.0
152.04416	0.6
152.07082	2.4
152.80759	0.6
169.04965	100.0
169.07535	3.6
170.05327	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.37020	0.6
53.03941	1.5
55.01882	2.1
55.05517	3.1
55.93545	0.8
56.05017	0.9
56.54979	0.6
56.96567	1.1
57.03443	1.0
58.06605	1.5
60.85204	0.7
61.02908	0.7
65.03941	95.5
66.04269	1.8
67.05502	6.0
67.93570	1.1
68.05015	1.1
68.99789	2.2
69.03432	1.9
69.07075	1.2
69.39246	5.5
70.06592	12.1
71.04998	1.2
79.05499	3.8
81.03419	8.0
81.07060	3.4
82.06587	0.9
83.04980	2.7
84.04503	1.3
84.08158	1.5
85.02915	2.7
85.94597	2.4
91.05480	1.1
93.03407	75.5
93.07082	0.8
94.03738	0.8
95.01296	1.2
95.04962	5.6
95.06065	0.9
95.08606	2.3
96.08128	2.5
97.02899	2.5
97.06556	1.8
98.03715	1.1
98.20750	1.3
99.04482	1.4
101.05965	0.7
103.95688	0.9
105.07003	1.2
107.04966	1.4
107.08600	1.1
108.02119	1.5
109.02885	10.3
109.06531	2.7
109.10146	1.0
110.03678	18.4
110.06060	1.1
110.07160	2.3
111.00814	4.8
111.04444	100.0
112.04773	1.5
113.00540	0.8
113.02341	0.7
123.04436	7.0
123.05302	1.0
123.08073	1.4
123.09149	1.5
123.11668	1.5
124.07597	4.4
124.11234	8.6
125.02353	1.1
125.05995	38.6
126.03158	6.8
127.03933	2.1
127.05904	0.9
127.07511	1.0
128.07234	0.8
134.06021	6.0
141.00049	3.0
141.05458	21.3
141.06560	1.1
142.08621	0.9
142.12253	4.0
145.96666	1.9
146.97398	0.7
151.03912	27.5
151.05025	2.8
151.07602	0.7
151.08658	1.2
152.03386	0.7
152.07065	10.7
154.02554	2.9
155.03348	0.6
163.97708	2.6
169.04961	18.1
169.06348	1.3
169.07570	2.3
169.09816	1.8
170.05795	1.6
170.08096	3.1
170.09523	1.6
170.11769	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	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03937	4.1
55.01863	4.9
55.05511	93.6
57.03423	3.6
57.07087	3.2
59.04995	9.0
65.03951	4.1
67.05504	18.3
69.03432	21.5
69.07069	10.1
69.60799	10.7
70.06597	1.9
71.04984	2.7
77.06731	1.5
78.04704	7.2
79.05494	12.1
81.03390	1.6
81.07063	15.2
83.04982	100.0
83.08623	39.9
85.06523	8.4
91.05468	5.2
93.07033	11.7
95.04973	2.8
95.08585	8.1
97.06538	5.1
97.10178	11.3
99.08094	2.1
105.07036	4.4
106.04195	3.0
107.05000	3.9
107.08591	20.2
109.06518	3.4
109.10155	21.2
111.04440	2.3
111.08080	28.9
112.08874	8.1
113.09635	4.1
121.01707	2.3
121.02871	4.2
121.06493	5.2
121.08414	2.5
121.10148	15.6
122.06818	11.8
123.04450	14.9
123.08128	3.1
123.11669	7.8
124.05157	2.4
125.09644	14.0
139.03839	2.4
139.08557	1.9
149.02309	2.8
149.04971	5.2
149.09634	2.9
149.13272	5.8
151.03934	3.4
152.04669	3.5
155.06067	2.9
167.03418	5.8
167.05696	1.6
167.07042	43.8
167.10640	4.1
167.14317	36.2
168.06523	1.8
168.10176	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01873	6.1
55.05512	85.6
56.96572	1.4
57.03423	4.7
57.07052	3.3
59.05005	11.0
65.03938	6.3
67.05188	1.3
67.05507	20.1
68.99760	1.8
69.03429	24.9
69.07063	14.2
70.06571	2.7
71.05003	5.5
71.49192	1.5
73.02901	1.4
78.04700	7.6
79.05069	1.8
79.05495	21.8
80.05015	2.2
81.03410	7.1
81.07056	20.5
82.06591	1.0
83.04981	100.0
83.08622	38.9
84.08138	1.8
85.02899	2.2
85.06539	8.0
91.05476	14.1
92.05806	1.7
93.03385	3.2
93.06483	1.7
93.07041	23.0
94.06561	2.1
94.07375	2.9
95.04977	9.9
95.06110	1.1
95.08603	11.9
96.04483	2.0
97.02849	2.5
97.06538	9.5
97.07652	1.0
97.10168	10.3
98.06044	1.0
99.08064	2.4
101.07565	1.1
102.94827	1.4
103.00623	2.2
103.05453	3.8
104.05790	3.0
105.03407	1.1
105.04478	1.4
105.07029	5.5
106.04135	1.6
107.04973	8.2
107.06075	1.1
107.08598	25.4
108.04465	4.5
109.02882	7.2
109.06518	7.6
109.10155	20.9
110.06021	2.2
111.04444	8.4
111.05577	1.3
111.07388	1.9
111.08089	26.3
112.07608	1.3
112.08875	7.0
113.09624	3.9
119.04904	2.3
121.01653	6.2
121.02853	23.6
121.03784	1.9
121.04077	1.2
121.06503	24.7
121.07452	2.2
121.08409	9.4
121.10137	22.9
122.06025	3.3
122.06843	35.0
123.04425	14.9
123.07204	1.5
123.08052	6.0
123.11693	6.9
123.73513	1.0
124.05235	5.4
125.02367	1.2
125.06004	5.4
125.06960	1.1
125.09612	15.5
125.96474	1.3
126.05513	6.9
126.72903	1.1
131.08536	1.4
135.04431	2.3
139.02774	2.0
139.03883	11.8
139.07571	3.1
139.11215	2.1
140.03413	4.2
140.07021	2.4
144.03246	4.1
149.02371	14.3
149.05962	6.7
149.07054	2.3
149.09636	5.0
149.13246	5.7
150.05452	5.1
151.03905	1.8
152.04651	3.7
154.04868	1.2
162.04291	1.2
167.03389	13.4
167.05489	5.4
167.07025	77.0
167.08206	3.6
167.10655	10.0
167.12674	3.9
167.14302	38.7
167.15379	0.9
168.02844	2.3
168.06419	4.8
168.10094	2.3
169.03595	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.44026	0.5
53.03945	3.9
55.01866	2.0
55.05511	12.5
57.03438	4.7
57.07077	2.0
59.04992	3.0
65.03943	2.1
66.04716	0.6
67.05507	7.4
69.03428	2.9
69.07069	35.9
70.60053	0.5
71.04990	1.2
75.07439	0.5
77.03930	1.2
78.04710	18.3
79.05492	23.6
80.04999	1.3
81.03432	2.5
81.07055	11.9
83.04987	5.7
83.08636	4.1
84.36498	0.6
84.93062	0.8
84.93774	0.6
84.96036	1.7
85.06562	1.0
91.04910	0.6
91.05481	13.1
92.05816	0.9
93.03405	2.3
93.07045	65.9
94.04185	1.4
94.07384	1.9
95.04970	7.8
95.08610	11.1
96.05760	1.0
97.02888	0.8
97.06529	7.7
97.10152	1.5
98.06075	1.0
102.94866	0.7
103.05464	2.3
104.05770	1.2
105.03372	1.3
105.04513	1.8
105.07030	20.4
106.04166	6.7
106.07845	1.0
107.04963	5.6
107.08599	6.5
109.02874	3.6
109.06520	3.1
109.10146	1.8
111.04434	2.1
111.08089	4.1
111.11713	7.2
119.08538	2.7
121.01681	1.9
121.02867	2.6
121.06506	6.1
121.08391	2.3
121.10143	83.6
122.03655	1.5
122.06023	0.9
122.06824	10.3
122.09683	0.7
122.10497	1.7
123.04433	28.1
123.08066	7.9
123.11678	1.6
124.05238	8.3
125.06022	1.0
125.09644	3.9
126.05555	1.1
131.08557	1.6
133.07622	3.3
134.03604	0.8
135.04414	2.2
137.02313	0.9
137.06021	1.2
138.03094	0.9
139.02707	0.8
139.03850	0.7
139.07541	1.9
139.11223	3.2
140.03409	1.3
140.97554	0.6
143.96761	1.9
144.03264	1.3
149.02350	4.4
149.06017	0.9
149.09618	13.4
149.13182	0.9
150.05556	0.6
151.03891	5.5
152.04689	6.4
163.03931	0.8
167.03412	3.2
167.07040	100.0
167.10674	27.7
167.12907	1.2
167.14256	5.2
168.04198	0.6
168.06383	0.8
168.07562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
53.03958	0.5
55.01883	1.1
55.05514	2.1
56.96579	0.2
57.02295	0.2
57.03436	0.2
59.05025	0.3
63.86197	0.2
65.03941	2.7
66.88185	0.2
67.05495	1.3
68.99794	0.5
69.03428	0.7
69.07075	1.0
70.06593	0.3
70.77956	0.5
73.02918	7.9
78.04723	1.6
79.01907	0.3
79.05493	2.6
80.38497	0.2
81.03405	1.1
81.07058	1.3
83.04987	3.4
83.08627	0.9
91.05490	2.3
93.03409	0.7
93.07047	2.9
94.04170	0.5
94.07365	0.3
95.04974	2.5
95.08609	0.8
97.02920	0.7
97.06538	0.8
97.10198	0.3
98.98479	0.2
103.05477	0.8
104.05830	0.4
105.04533	0.3
105.07034	0.7
106.04188	0.6
107.04950	1.2
107.08598	2.0
108.04457	0.4
109.02908	0.7
109.06500	2.0
109.10146	0.9
111.04455	2.6
111.08067	0.7
119.04946	2.9
121.02871	100.0
121.03886	3.2
121.06481	6.2
121.08417	0.9
121.10139	2.2
122.03242	1.2
122.06033	0.3
122.06834	4.2
123.04424	3.3
123.08068	0.5
123.11680	0.3
124.05180	1.1
125.05984	0.4
125.06958	0.2
125.09664	0.5
126.05558	0.6
131.08580	0.4
135.04411	0.5
137.05972	1.9
137.09525	0.3
139.03917	2.0
139.07547	0.5
139.11186	0.4
140.03412	0.5
144.03230	0.3
149.02374	2.3
149.05984	19.8
149.09639	1.0
150.06432	0.3
150.09137	0.4
151.03891	0.8
152.04634	0.7
155.06114	0.2
167.03392	2.6
167.07043	15.4
167.10732	1.2
167.12656	0.5
167.14305	0.8
168.07571	0.3
187.36998	0.2
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	3-Ethoxy-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03942	4.0
55.01865	2.8
55.05509	3.6
55.79667	0.4
59.04985	0.7
65.03931	2.3
67.05511	2.3
68.99793	0.8
69.03419	2.2
69.07047	1.2
70.06571	0.4
70.69110	0.6
70.69465	0.9
73.02923	3.7
77.03920	1.1
78.04707	2.1
79.05489	17.3
80.05038	0.4
81.03400	1.8
81.07051	5.1
83.04983	4.7
83.08594	1.1
91.05478	15.5
93.03382	0.7
93.07041	22.7
94.07381	1.1
95.04958	4.9
95.08603	1.1
97.02889	4.9
97.06549	1.9
103.05455	2.0
105.04468	1.9
105.07016	1.3
106.04178	0.7
107.01295	0.7
107.04969	2.7
107.08579	4.3
108.04494	1.1
109.02858	1.3
109.06522	1.9
109.10165	0.8
111.04440	2.9
111.08058	1.3
119.04927	1.7
121.02862	41.1
121.06497	15.6
121.08346	2.2
121.10141	3.1
122.03160	0.3
122.03642	0.4
122.06018	0.6
122.06827	6.6
123.04430	5.8
123.08065	1.3
124.05202	0.9
125.05936	0.8
125.09596	1.2
125.96340	0.4
126.05486	0.4
126.06568	0.4
131.08540	0.5
135.04340	0.4
137.05943	1.4
139.03908	3.5
139.07552	1.6
139.11198	0.5
140.03345	0.5
140.07053	0.4
142.38754	0.4
144.03212	0.9
149.02364	3.0
149.05977	17.1
149.09650	1.9
150.09196	0.4
151.03835	0.5
152.04631	0.9
161.63850	0.4
167.03413	3.8
167.07027	100.0
167.10678	2.3
167.14313	1.0
168.07388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94085	9.5
52.94096	1.7
53.03935	2.4
53.93980	6.9
55.01863	3.5
55.05491	2.3
55.13332	1.5
55.93521	6.8
56.94312	17.7
56.96568	24.6
57.03428	4.2
57.93565	4.0
58.93333	2.0
59.93102	4.1
67.93581	10.2
68.96340	4.9
69.03419	4.8
70.62982	4.4
70.94262	2.2
70.95873	12.2
71.04975	3.5
72.93417	2.0
72.93790	31.2
73.93824	2.1
74.93813	3.6
74.95343	2.1
75.93594	4.9
76.93392	3.9
79.05479	3.7
81.03412	13.5
81.07028	2.9
82.03742	3.8
82.94827	1.8
83.04959	4.4
83.08594	2.8
83.92595	2.8
83.93050	32.0
83.95175	3.9
84.29161	1.7
84.93081	22.5
84.93821	24.5
84.96034	61.1
84.99577	4.8
85.02905	3.5
85.93318	3.0
85.94596	7.3
86.94624	5.1
86.97379	5.3
88.96890	4.9
90.94836	10.3
91.05505	3.5
93.07030	5.5
95.04969	1.6
96.08179	2.0
98.98460	2.1
99.04465	2.3
101.94078	11.2
101.96262	2.3
102.02187	1.9
102.94102	7.5
102.94852	29.4
102.97054	6.2
103.00639	41.3
103.01305	4.0
103.94384	3.1
104.95166	2.3
107.04940	2.2
107.06055	3.4
107.08581	3.3
107.97598	1.9
109.02885	6.4
109.06448	1.9
110.03210	2.1
111.04410	2.3
111.46116	4.2
111.96888	4.3
113.96408	24.6
114.96662	2.1
115.96439	20.6
116.96221	10.1
116.97341	13.1
116.99973	1.7
117.95982	35.3
117.97522	4.7
118.94349	25.7
118.96775	26.6
119.95147	9.3
119.97357	9.2
120.02024	4.9
120.95138	5.6
120.95911	2.4
121.01674	100.0
121.06499	5.3
121.07655	3.9
121.10153	3.2
122.06064	2.1
122.06859	5.7
122.96895	2.4
125.06108	1.9
125.95553	3.7
125.96436	15.1
125.98611	7.7
126.02171	8.1
126.05521	2.4
126.95563	34.5
126.97021	2.2
127.03912	1.8
128.95093	3.9
128.97856	7.1
131.48108	2.8
131.97449	7.1
132.95880	1.9
133.97478	2.9
134.97255	5.0
135.97025	6.5
137.98384	3.4
139.02690	20.2
139.03720	2.6
139.07536	2.4
140.95123	3.2
140.97534	20.0
141.48459	1.7
141.98311	2.2
142.96709	23.4
143.95456	3.2
143.96677	68.6
143.99654	6.7
144.03227	66.7
144.95723	51.1
144.96677	12.5
144.97839	3.4
145.00905	1.9
146.96162	2.3
149.02380	4.0
149.07132	3.9
150.95720	2.4
150.96880	2.1
155.97432	2.0
161.01190	2.1
161.98286	4.9
162.04311	15.0
162.96915	34.2
162.99007	2.1
163.03946	2.4
166.95453	4.6
166.98250	4.5
167.03490	2.3
167.04790	4.6
167.06941	8.9
167.10596	4.1
167.97435	5.4
168.10205	4.7
185.98586	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	166.1227
Annotation	Hordenine
Peak:m/z	Relative Intensity
51.02377	0.5
53.03950	1.5
55.01855	0.4
61.83770	0.2
71.13262	0.3
71.13606	0.3
74.88602	0.2
77.03922	0.5
78.57406	0.2
81.03406	0.2
91.05484	5.8
93.07046	10.2
95.04962	1.0
103.04802	0.5
103.05468	7.5
105.04533	0.7
121.06505	100.0
122.06810	1.6
130.39688	0.2
148.20305	0.3
166.10861	0.4
166.12282	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	166.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
58.06592	0.4
58.09536	0.3
70.03539	1.4
77.03917	0.9
79.05479	1.1
91.05479	6.6
93.07045	11.6
94.06535	0.3
94.07327	0.3
95.04956	1.2
103.05468	15.5
104.05772	0.5
105.04530	0.5
107.04949	1.9
120.08106	91.7
121.06504	100.0
122.06841	2.1
131.04922	2.1
149.05963	0.7
166.08640	1.0
166.12276	8.2
166.13620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03945	1.0
55.01869	0.3
58.06603	0.4
61.27495	0.1
71.03855	0.3
77.03902	0.7
79.05508	0.1
81.03410	0.1
91.05481	5.0
93.07043	10.8
94.07385	0.2
95.04982	0.7
103.05466	6.9
103.26730	0.1
104.05820	0.2
105.03822	0.1
105.04501	0.5
113.84328	0.1
121.06503	100.0
122.06839	2.2
166.08623	0.3
166.12276	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02383	0.2
51.65868	0.1
53.03939	0.6
55.05508	0.2
57.03424	0.3
65.03950	0.4
67.05504	0.6
68.05027	0.2
69.07067	0.2
69.25145	1.3
70.06577	0.5
77.03928	0.2
78.04713	0.5
79.05081	0.2
79.05498	2.3
80.05017	0.3
80.05830	0.4
81.03437	0.2
81.07056	0.7
82.07394	0.5
83.93040	1.3
91.05482	2.7
92.05820	0.5
93.07047	5.5
94.07382	0.3
95.04987	1.0
95.06089	0.5
95.08594	0.4
96.04479	0.5
96.05322	0.2
96.08952	0.3
97.02892	0.2
101.94085	0.3
103.05473	14.0
104.05802	0.3
105.04543	0.4
105.07029	0.3
106.04177	0.3
106.07374	0.5
107.04977	2.1
107.08594	0.5
108.04502	0.2
108.08929	0.4
109.02853	0.2
109.06538	0.2
110.06084	0.2
110.06884	0.2
115.96407	0.2
118.06528	0.2
118.94318	0.2
119.07381	0.2
119.08542	0.2
119.95113	0.4
120.02058	0.5
120.08111	100.0
121.06509	27.4
121.10107	0.3
122.06834	0.4
122.10471	0.4
123.04397	1.1
123.08103	0.2
124.03906	0.2
124.05220	0.4
124.95627	0.2
131.04941	2.1
131.73734	0.2
136.07645	0.2
138.05458	0.7
138.09108	0.3
138.10086	0.4
142.96692	3.2
143.03659	0.2
148.04837	0.8
148.07629	0.2
148.11995	1.1
149.02354	0.3
149.05992	0.6
151.03821	0.3
152.04668	0.4
165.98303	0.2
166.04921	1.1
166.06247	0.3
166.08499	2.1
166.09720	0.7
166.12097	2.0
167.07047	3.5
167.10701	0.2
171.16798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94083	3.6
53.03941	1.5
55.78038	0.8
55.93514	1.6
56.94296	2.3
56.96297	1.3
56.96566	18.4
57.03430	1.8
57.93317	0.9
57.93566	7.5
65.92619	1.0
66.08773	0.8
67.93545	2.7
69.03412	1.7
69.86477	4.4
70.95857	1.9
71.04973	2.9
72.93790	11.8
74.93852	4.8
75.42013	0.9
75.94624	0.8
77.09766	0.8
80.05021	0.9
80.94941	2.6
81.03410	9.2
83.93044	41.3
83.97623	2.3
84.01175	1.1
84.93813	2.4
84.94630	3.7
84.96020	2.7
85.02887	2.5
85.94601	4.6
86.03663	1.3
90.94817	2.7
91.05454	1.4
92.94801	1.0
93.07018	1.5
95.04908	0.9
95.06068	1.1
97.02856	0.9
97.96918	0.9
98.96162	2.4
100.05251	1.7
101.00870	3.0
101.94067	10.0
101.94774	1.3
101.96284	3.5
102.00943	7.5
102.02216	1.7
102.94849	2.5
102.95653	3.5
103.00640	1.6
103.05446	0.9
103.95599	1.2
106.99461	1.3
109.02864	3.4
110.96780	4.9
111.46101	1.2
113.05992	0.9
113.96391	18.1
115.96436	59.3
116.97223	39.6
118.94330	2.1
119.01908	4.3
119.95090	5.9
119.97323	15.4
120.01997	11.0
120.08086	2.8
121.01651	2.6
121.06506	15.2
121.97572	0.8
122.47628	1.0
124.93892	1.1
124.95624	1.6
124.99068	1.1
125.02499	1.2
126.93566	0.8
126.96815	0.8
127.97980	1.1
128.95064	1.0
128.97849	13.9
131.48109	4.9
131.97429	5.3
132.95834	2.8
133.97473	8.5
136.51428	0.9
137.98351	6.7
138.03055	1.6
138.10197	1.5
138.97980	0.9
139.02650	0.9
139.98770	1.2
140.48639	6.2
140.97488	1.1
142.03487	1.4
142.96693	100.0
143.00014	1.9
143.03590	9.6
143.96693	3.2
144.03236	1.3
144.95749	1.4
145.98984	1.3
148.96176	2.3
149.49155	1.3
154.96613	3.0
155.97391	1.5
156.99110	1.6
160.97395	1.3
161.01204	1.4
161.04626	2.2
163.03865	1.7
165.98305	7.8
166.05019	2.6
166.08606	3.5
166.09766	2.1
166.12225	1.0
169.98955	0.7
172.97639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	Jasmone
Peak:m/z	Relative Intensity
52.52002	1.1
53.03946	6.7
53.39434	1.0
55.01869	2.3
55.05519	10.0
57.03425	4.5
57.07087	5.8
59.05017	1.3
65.03933	3.1
67.05507	22.8
68.99786	1.5
69.03432	46.2
69.07061	8.6
69.19510	6.1
69.19934	4.7
71.05004	2.9
71.08627	1.1
79.05499	14.5
80.05051	1.1
81.03429	19.5
81.07061	33.4
83.04980	6.1
83.08615	2.7
83.93038	2.3
85.02918	2.1
85.06516	1.0
91.05485	38.9
93.07047	16.8
94.04166	1.2
95.04974	22.8
95.06046	1.2
95.08611	29.5
96.04476	1.5
97.06517	1.9
101.00883	11.1
103.05473	6.1
105.07043	20.4
107.04948	4.7
107.08596	18.1
109.06521	25.5
109.10153	17.1
110.07333	1.2
117.07030	3.0
119.01925	24.2
119.04942	43.1
119.08580	27.4
120.02028	1.2
120.08112	10.9
121.06510	50.0
121.10143	20.1
122.07290	6.4
123.04450	6.9
123.08071	25.6
123.11697	16.2
124.02472	2.3
133.02829	2.5
133.06476	2.6
135.08055	3.0
135.11694	1.5
136.08833	1.6
137.02975	3.1
137.06007	9.7
137.07935	2.7
137.09619	73.8
137.13214	5.1
138.05460	1.2
138.10011	2.2
141.05470	3.5
142.03503	18.4
142.96698	4.2
145.10092	1.6
147.04417	65.1
147.08051	3.9
147.11696	10.8
150.06583	1.1
150.10393	4.3
154.51128	1.1
160.04564	4.1
165.01837	4.3
165.04192	1.4
165.05515	25.5
165.06778	2.0
165.09113	23.1
165.12761	100.0
166.04927	2.6
166.08569	2.4
166.09818	1.3
166.13242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1638
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
51.60433	0.5
52.82635	0.5
53.03949	1.0
55.01860	0.8
55.05512	8.4
57.03417	0.8
57.07082	7.6
65.03935	1.5
67.05506	46.2
68.05820	0.7
68.99825	0.7
69.03435	3.1
69.07069	8.8
69.85189	3.2
70.06532	0.6
71.08632	4.4
74.66148	0.6
79.05492	9.4
79.61474	0.6
81.07058	44.1
83.04982	1.9
83.08607	2.9
85.06525	0.7
85.10179	2.7
91.05485	14.5
93.07043	8.6
95.04984	2.8
95.08608	68.3
96.08940	1.1
97.06531	1.6
101.00880	3.5
103.05468	1.3
105.07036	9.3
105.76975	0.6
107.04954	0.7
107.08607	6.4
109.06544	3.5
109.10159	100.0
110.10506	2.0
119.01940	5.9
119.04942	13.5
119.08582	9.5
120.08119	2.2
121.06506	11.7
121.10150	10.0
122.07242	1.1
123.04417	1.7
123.08089	2.2
123.11711	27.9
135.08025	1.0
136.08931	0.8
137.05966	2.1
137.09613	5.3
137.13261	1.3
142.03514	3.9
142.96788	0.7
147.03236	1.3
147.04414	23.6
147.07956	0.7
147.11687	11.9
148.07582	0.9
149.09619	1.3
150.10403	5.7
160.04602	1.0
165.01805	1.2
165.05504	3.6
165.09111	9.1
165.12758	43.5
165.16389	13.1
166.13197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.02404	0.7
53.03964	2.1
55.01645	0.8
55.01869	4.2
55.05508	7.7
55.76238	0.6
57.03436	7.6
57.07088	1.5
59.05014	0.6
64.57302	0.6
65.03946	1.3
67.05506	37.5
69.03433	4.6
69.07066	8.3
70.64298	1.2
70.64657	1.3
71.04996	2.9
73.55796	0.6
77.03910	0.6
79.05495	36.0
81.03443	0.8
81.07058	77.5
82.07401	0.9
83.04972	9.8
83.08634	1.9
84.68320	0.6
85.06554	4.3
88.16276	0.6
91.05479	42.8
93.07047	41.3
93.81158	0.6
94.07388	0.8
95.04970	8.9
95.08607	23.2
97.06525	10.9
99.08104	1.8
103.05479	1.5
105.07034	69.9
106.07346	1.3
107.08596	24.4
109.06514	15.7
109.10144	4.8
116.46647	0.7
117.07016	1.6
119.04944	4.6
119.08585	56.7
120.08944	1.0
121.06525	4.5
121.10148	62.7
122.10480	1.8
123.08073	8.7
123.11715	8.9
127.07505	1.1
137.05957	1.1
137.09616	4.6
137.13231	2.4
142.03516	1.5
145.10085	1.8
147.04434	6.9
147.11690	100.0
148.12047	2.6
164.55397	0.7
165.09132	4.5
165.12756	94.4
166.13098	2.1
175.66524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03942	0.5
55.05513	3.2
57.03439	0.3
63.89593	0.2
65.03947	0.6
67.05509	2.9
69.03428	1.2
69.07071	2.5
69.34116	2.3
71.04985	0.4
78.90626	0.2
79.05487	2.2
81.03425	1.6
81.07058	5.6
83.04984	1.0
83.08621	2.8
83.93052	0.5
85.06573	0.4
91.05483	3.4
93.07061	1.4
95.04971	100.0
95.08603	4.4
96.05315	1.8
97.06583	0.4
101.00878	0.9
103.05468	0.6
105.07035	4.0
107.04943	0.4
107.08595	8.7
108.08959	0.3
109.06522	18.1
109.10156	1.7
110.06882	0.5
117.07068	0.3
119.01924	1.9
119.04958	3.8
119.08578	3.4
120.08109	0.9
121.06498	3.6
121.10139	1.9
122.07274	0.5
123.04452	0.2
123.08087	1.1
123.11691	1.5
131.04865	0.2
132.15428	0.2
133.02928	0.3
137.02939	0.3
137.05966	1.1
137.09637	2.5
137.13283	1.5
142.03458	1.7
142.96675	0.5
143.24226	0.2
147.04417	5.8
147.11690	8.4
148.11998	0.5
160.04474	0.2
165.04350	0.3
165.05574	0.4
165.09113	3.8
165.12756	49.5
166.13086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03955	2.8
55.01862	4.9
55.05509	7.1
57.03440	8.0
57.07079	0.7
57.34484	0.6
65.03941	1.8
67.05504	40.5
69.03423	5.6
69.07065	8.6
71.05003	2.9
71.14565	1.6
77.03941	1.5
79.05494	39.0
81.03436	0.8
81.07057	82.7
82.07385	1.2
83.04984	10.5
83.08621	1.6
85.06544	6.2
91.05482	52.0
92.05843	1.2
93.07043	44.2
94.07359	0.9
95.04965	9.1
95.08611	23.4
97.06531	11.0
99.08119	1.7
101.00896	1.9
103.05470	2.2
105.07032	73.5
106.07341	1.1
107.04960	1.0
107.08592	27.2
107.09312	1.4
109.06520	16.5
109.10154	6.9
117.07021	2.2
118.07803	0.7
119.01943	3.5
119.04945	12.3
119.08585	57.9
120.08134	1.7
120.08937	1.1
121.06501	9.9
121.10144	63.4
122.07256	1.0
122.10446	0.8
123.04399	1.0
123.08068	8.6
123.11710	10.3
127.07492	0.8
133.02876	1.1
137.06007	2.1
137.09639	7.1
137.13252	2.2
142.03499	2.7
142.96710	1.2
144.31488	0.7
145.10129	1.9
147.04407	19.1
147.11688	100.0
148.11995	2.4
165.01808	1.1
165.05446	2.9
165.09108	7.7
165.12756	93.4
166.13246	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
52.41124	0.5
53.03942	0.9
55.01869	1.6
55.05510	4.2
57.03455	2.8
57.07077	2.7
59.05008	0.5
65.03939	0.9
67.05145	0.6
67.05507	10.7
69.03432	5.7
69.07072	4.8
69.25955	5.0
71.05003	0.8
71.08640	1.1
77.03954	0.6
79.05499	7.1
81.03438	1.2
81.07059	16.3
83.04991	2.2
83.08621	2.8
91.05484	13.6
92.05802	0.5
93.07051	13.4
94.04195	0.7
94.07845	0.8
95.04974	6.1
95.08609	14.5
95.09176	1.0
97.06550	1.5
101.00873	2.6
103.05460	1.5
105.07041	11.8
106.07848	0.7
107.04973	0.9
107.08607	11.2
108.05708	0.6
109.06519	20.0
109.10164	11.5
117.07011	1.5
119.01932	3.4
119.04940	6.5
119.08591	20.9
120.08119	1.6
121.06510	7.4
121.10154	25.0
122.07293	9.1
123.04427	1.8
123.08080	11.5
123.11703	4.3
124.02532	0.5
133.07588	0.7
135.08051	3.5
137.06055	1.3
137.09625	100.0
137.13260	1.9
137.79987	0.6
138.09987	1.7
142.03511	2.3
142.96700	0.7
147.04424	12.1
147.08041	1.1
147.11690	8.6
150.10388	5.9
165.01892	0.7
165.05502	4.2
165.09119	5.9
165.12764	40.5
166.04953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	1.2
55.01872	1.8
55.05509	4.3
57.03444	3.3
57.03668	0.6
57.07077	3.0
65.03925	1.5
67.05505	11.9
68.92174	0.5
69.03433	6.0
69.07072	5.1
69.35989	0.9
69.36394	3.1
71.02439	0.5
71.04982	0.8
71.08616	0.7
77.03924	0.6
79.05489	9.0
81.03411	1.3
81.06594	1.0
81.07057	17.2
82.99834	0.6
83.04973	3.3
83.08616	2.2
85.02893	0.9
91.05479	16.5
92.05816	0.5
93.07044	13.5
93.07636	0.8
93.60782	0.5
93.70363	0.6
94.04174	0.9
95.04958	7.3
95.08608	14.1
97.06520	0.8
101.00876	2.4
103.05474	2.0
105.07031	15.2
107.04958	2.1
107.08593	10.4
108.05729	0.5
109.02892	1.2
109.06520	21.4
109.10151	13.9
115.87416	0.5
117.07014	0.9
119.01922	4.0
119.04938	9.1
119.05864	0.7
119.06138	0.7
119.08584	19.3
120.08128	1.7
121.05682	0.8
121.06507	11.2
121.10143	22.4
122.07289	8.8
123.04446	1.4
123.08076	12.6
123.11717	4.5
124.05193	2.2
133.02823	1.1
133.06491	2.5
135.08051	3.0
137.06013	4.8
137.09615	100.0
137.13199	1.9
138.09958	3.0
142.03505	2.8
142.96692	1.1
147.04416	15.1
147.07985	0.6
147.11690	8.6
150.10405	6.3
165.05457	3.9
165.06781	1.2
165.09109	6.0
165.12750	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	165.091
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03945	1.0
54.03452	0.6
55.01850	0.4
55.05503	2.6
56.05033	1.1
65.03914	0.5
67.05505	19.6
68.05041	0.4
69.03428	0.8
69.07065	0.9
69.21721	0.4
70.80704	0.6
70.81019	0.6
79.05473	1.3
79.47448	0.4
81.04567	0.6
81.07059	7.4
83.02448	1.7
83.04977	3.7
83.06100	1.2
91.05488	5.2
93.07043	1.8
94.43423	0.4
95.04955	1.9
95.08618	2.5
97.07643	0.6
98.07184	0.7
103.05419	0.7
104.06243	0.7
105.07035	0.6
107.04947	2.7
107.06053	0.7
107.08592	1.3
109.06500	1.2
109.10159	20.0
111.16069	0.5
117.07015	0.7
119.01907	1.5
119.08583	13.5
121.06512	3.3
121.07345	0.5
122.07282	13.2
122.15278	0.4
123.08041	0.9
123.09195	0.5
124.05116	0.5
124.08710	2.2
125.09518	0.7
135.08017	0.5
137.09616	46.9
138.10014	1.0
139.08159	0.4
142.03505	1.1
142.96729	0.7
147.04398	0.8
147.08040	0.7
148.08688	0.9
165.09113	100.0
165.11371	2.5
166.09473	2.3
177.91228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
50.89224	0.4
52.16061	0.5
53.03934	1.3
54.03465	0.6
55.01855	0.5
55.02993	0.7
55.05510	2.5
56.01386	1.1
56.05038	2.6
58.06590	0.7
65.03939	0.7
66.08508	0.4
67.05507	20.8
68.05017	1.1
68.74389	0.3
69.03419	1.5
69.07059	0.9
69.19173	3.6
70.06592	0.8
77.03912	0.5
78.71983	0.4
79.05492	2.3
80.05019	0.8
81.03419	0.5
81.04559	2.4
81.07064	6.9
82.02883	0.4
82.06562	1.2
83.02469	7.1
83.04990	3.9
83.06106	4.0
83.93070	0.5
84.06898	0.5
85.07665	0.6
87.72926	0.4
91.05488	6.3
93.07037	2.4
95.04964	2.7
95.06087	1.5
95.08615	2.7
96.05618	0.6
97.07643	1.7
98.07164	1.4
101.00864	0.4
103.05457	1.3
103.96956	0.4
105.07017	0.7
107.04967	3.2
107.06068	1.8
107.08590	1.4
108.77018	0.4
109.06520	1.7
109.07639	0.9
109.10159	20.6
110.07150	1.9
111.09196	0.7
117.07012	1.3
119.01939	1.3
119.04918	1.4
119.06053	0.4
119.08582	15.5
121.06506	7.9
122.07272	15.9
123.06686	1.8
123.08015	1.9
123.09171	1.5
124.05076	2.4
124.08719	6.1
125.09512	1.9
129.06961	0.4
135.08008	0.6
136.08667	0.5
137.02977	0.4
137.09618	48.1
138.10075	1.5
142.03505	1.6
142.96675	0.5
147.04419	2.9
147.08000	0.7
148.08727	2.5
152.27362	0.5
165.09113	100.0
165.11365	6.2
166.04950	0.8
166.09554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03935	0.7
55.01856	0.6
55.05511	3.6
65.03949	0.6
67.05504	19.4
69.03423	1.1
69.07066	0.7
70.62646	1.2
70.63000	0.6
76.28542	0.5
79.05482	2.2
81.07056	8.5
83.04982	4.1
89.47308	0.4
91.05478	6.4
93.07030	1.7
94.07815	0.7
95.04968	1.8
95.08598	2.9
101.00892	2.2
103.05442	0.5
104.06281	0.6
105.07035	1.0
107.04955	1.8
107.08588	1.6
109.06496	1.5
109.10161	20.2
112.87582	0.5
117.06999	0.7
119.01921	4.0
119.04916	2.7
119.08586	16.5
120.08115	1.0
121.06502	6.4
122.07285	14.6
123.08060	1.0
124.02361	0.6
137.09618	51.1
138.09950	1.1
142.03484	2.0
142.96664	1.6
147.04405	5.1
147.08040	0.5
165.09113	100.0
166.09471	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
54.03448	0.7
55.05512	3.6
56.05026	0.6
67.05506	20.2
69.03415	0.5
69.07065	0.6
69.30482	4.1
74.80856	0.5
79.05486	1.6
81.03414	0.6
81.04548	1.1
81.07054	7.2
83.02460	3.9
83.04979	4.6
83.06091	1.9
91.05483	6.9
93.07037	1.7
95.04949	1.6
95.08595	2.2
95.09129	0.5
98.07194	0.6
101.00883	1.8
103.05494	0.7
104.06252	0.9
105.07021	0.6
107.04936	3.0
107.06043	0.7
107.08565	0.7
109.06507	1.0
109.10160	21.2
110.07162	0.5
111.09212	0.6
117.07012	1.2
119.01910	4.1
119.04920	1.3
119.08585	17.3
121.06495	5.1
122.07278	16.1
122.79928	0.5
123.06699	0.5
123.08030	0.7
123.09212	1.2
124.02363	0.5
124.05080	1.0
124.08728	2.5
125.09549	0.6
137.02936	1.1
137.09618	50.6
138.10022	1.1
142.03506	2.9
146.65457	0.5
147.04402	1.7
147.08023	0.6
148.08723	1.3
160.04521	0.6
165.09114	100.0
165.11392	2.5
166.09572	2.6
169.64771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03942	0.3
55.01860	0.4
55.05502	0.4
65.03931	1.5
67.05492	0.8
69.03427	0.7
69.07062	0.3
69.75200	0.2
70.64352	0.6
73.96066	0.2
76.61446	0.2
79.05482	0.7
81.03407	0.5
81.07059	0.8
91.05481	25.5
92.05803	0.4
93.07027	0.6
95.04981	1.4
95.08624	0.8
96.29924	0.2
101.00880	1.5
101.78489	0.2
103.05474	0.4
105.07035	1.5
107.04955	0.3
107.08586	0.7
109.02900	0.2
109.06532	0.6
109.10172	0.6
119.01956	2.4
119.04940	55.7
119.08569	1.6
120.05293	0.9
120.08115	1.0
121.06513	2.6
121.10169	0.3
123.04427	2.0
123.08083	0.7
123.11753	0.3
124.02476	0.4
133.06447	0.4
137.05971	4.7
137.09608	0.8
142.03506	1.6
147.04408	100.0
148.04747	2.0
160.04485	0.3
163.67308	0.2
165.01866	0.5
165.05487	8.5
165.09079	1.5
165.12764	0.7
166.12228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99665	0.3
53.03951	0.3
55.01867	0.4
55.05517	0.5
57.03443	0.4
65.03934	1.5
67.05505	1.4
67.12063	0.3
68.99780	0.6
69.03433	4.8
71.49545	0.4
79.05489	1.3
81.03410	0.5
81.07071	1.9
91.05483	24.9
92.05849	0.4
93.07034	1.0
95.04973	1.6
95.08575	1.6
101.00896	2.3
103.05441	0.5
105.07035	2.7
107.04961	0.5
107.08594	0.9
109.02886	0.5
109.06546	1.2
109.10151	1.8
119.01958	3.2
119.04943	58.2
119.08537	1.9
120.05265	1.2
120.08115	1.1
121.06497	2.8
123.04441	3.4
123.08077	1.1
123.11745	0.3
133.06520	1.0
137.05989	8.5
137.09616	1.1
141.05447	0.5
142.03499	2.4
147.04411	100.0
147.11702	0.6
148.04785	1.9
165.01830	1.1
165.05487	18.6
165.09145	1.5
165.12773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.4
55.14918	0.3
65.03934	1.6
67.05492	0.4
71.13614	0.3
71.13927	0.3
91.05486	30.0
93.07045	0.4
95.04980	2.2
101.00828	0.4
103.05426	0.4
105.07054	0.7
109.06491	0.4
109.10185	0.4
119.04947	53.8
119.08565	1.0
120.05281	0.9
121.06529	0.9
123.04420	2.4
123.08119	0.7
133.06459	0.3
137.04991	0.4
137.05986	0.6
137.09647	0.4
142.03470	0.7
143.03699	0.4
147.04414	100.0
148.04759	1.7
165.05444	1.1
165.06673	0.5
165.09135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.05511	0.3
61.06250	0.2
62.84350	0.3
65.03925	1.3
67.05496	0.6
69.03431	0.3
73.09302	0.3
79.05489	0.6
81.07059	0.3
83.04992	0.3
85.02899	0.3
91.05482	26.3
93.07023	0.5
95.04977	1.8
95.08586	0.4
96.63699	0.3
101.00875	0.7
103.05462	0.4
105.07030	1.2
107.08625	0.4
109.06538	0.5
109.10156	0.3
113.50033	0.3
119.01965	2.0
119.04941	52.4
119.08585	1.1
120.05229	0.6
120.08085	0.7
121.06518	1.3
123.04413	1.7
123.08087	0.5
124.02469	0.4
133.02802	0.3
133.06468	0.5
137.04984	0.2
137.05951	1.0
137.09615	0.6
142.03503	1.1
147.04408	100.0
148.04764	2.3
165.05547	1.4
165.09126	1.1
165.12732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01873	0.3
55.05503	0.5
57.47320	0.2
61.42950	0.2
63.71308	0.3
65.03941	2.0
67.05505	0.7
69.03429	0.5
69.17267	0.8
69.17688	1.7
70.52129	0.2
79.05493	1.1
81.07061	1.0
91.05484	27.6
92.05801	0.4
93.07072	0.6
95.04980	1.6
95.08607	0.7
101.00875	1.0
102.60877	0.3
103.05455	0.8
105.07038	4.8
107.04914	0.2
107.08592	0.6
109.02814	0.3
109.06511	0.7
109.10170	0.6
117.06956	0.3
119.02001	1.9
119.04946	52.7
119.08559	1.4
120.05264	0.9
120.08144	0.4
121.06515	1.2
123.04427	2.1
123.08128	0.4
133.05588	0.4
133.06509	2.9
137.04968	0.2
137.05986	4.1
137.09615	0.5
142.03497	1.5
147.04413	100.0
148.04752	1.8
160.04514	0.4
165.01849	0.6
165.04213	0.4
165.05490	2.4
165.09100	1.6
165.12752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99829	0.6
70.71407	1.2
70.71730	0.6
77.86447	0.6
82.01469	0.8
82.99848	14.7
95.31358	0.5
97.13726	0.6
100.02479	1.6
101.00886	84.8
102.00980	2.4
111.00433	1.6
119.01925	100.0
120.02022	2.9
124.02454	15.5
137.02969	11.5
142.03502	81.8
143.03683	1.3
160.04570	9.4
165.05116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02987	0.7
56.01379	0.8
56.05042	3.8
58.06583	1.3
59.06114	0.8
67.02998	1.1
67.05494	1.2
68.05025	2.4
69.03423	1.0
69.04536	0.6
69.84286	2.9
70.06600	1.6
80.05017	1.4
81.04539	4.0
81.07052	1.0
82.04092	0.6
82.05348	0.7
82.06561	1.0
82.99844	3.2
83.02474	11.8
83.06105	6.0
84.06879	1.3
85.07667	0.8
91.05476	2.4
93.07047	1.4
93.62050	0.6
95.04987	1.1
95.06084	2.0
95.08616	0.8
95.33002	0.6
96.04539	0.7
96.05633	1.2
97.07657	3.4
98.07183	3.1
100.02495	1.2
101.00882	40.0
102.01043	0.6
105.07082	0.6
107.06071	2.6
109.07638	1.6
109.10160	1.0
110.07150	1.8
111.07963	1.4
111.09198	1.5
112.08711	0.7
115.01579	0.6
115.30377	0.5
118.48887	0.5
119.01924	100.0
119.08515	0.8
120.02042	2.2
120.05595	0.6
121.06509	5.4
121.07562	1.2
122.07165	5.2
123.04415	0.7
123.05666	0.7
123.06685	2.7
123.07984	1.5
123.09177	3.6
124.02445	7.9
124.05077	3.6
124.08709	9.5
125.07146	0.6
125.09503	3.5
136.08685	1.3
137.02966	24.3
137.06017	0.9
137.08279	0.8
137.09534	2.5
138.10274	2.6
142.03505	65.8
142.96704	1.3
143.03648	1.3
147.04408	4.2
148.08701	4.8
160.04559	15.3
165.01779	0.6
165.05142	10.9
165.07722	4.7
165.09079	1.2
165.11374	14.7
165.12756	1.1
166.09787	0.6
183.06168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03949	6.3
55.01886	0.8
55.05518	8.5
57.03449	0.7
57.07077	1.8
65.03931	0.8
67.05520	3.8
69.03432	2.2
69.07072	20.7
69.88950	1.5
69.89362	1.6
77.03947	2.4
77.21680	0.6
79.05498	25.0
81.03408	1.1
81.07060	22.3
81.07534	1.4
83.08610	5.6
85.02901	1.5
89.03923	14.1
89.36642	0.6
91.05481	14.3
92.02624	1.6
93.07049	40.9
95.04979	5.8
95.08613	20.2
97.10201	0.7
102.57452	0.6
103.05491	4.9
105.03405	1.8
105.04533	2.2
105.07029	10.8
106.06572	1.1
107.04965	6.1
107.08600	100.0
108.08904	1.7
109.06525	2.5
109.10172	2.2
115.05471	0.6
116.41357	0.6
117.03383	12.0
117.07019	2.3
119.06090	0.6
119.08617	4.0
120.02039	0.6
121.05766	0.7
121.06508	3.1
121.10152	36.7
123.08090	0.7
130.06534	2.2
130.07768	1.4
131.04938	2.7
132.08066	1.3
133.02861	11.7
133.10153	0.9
135.04424	36.3
135.08057	3.6
135.11694	16.3
136.07585	1.8
145.02858	8.5
145.03922	0.8
145.10123	5.0
163.03912	59.7
163.07541	3.4
163.11186	12.3
163.12515	1.5
163.14833	39.5
164.04306	0.9
164.07077	0.9
164.15218	0.6
164.45241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	6.1
55.01880	2.0
55.05515	8.3
57.03429	1.7
57.07077	1.8
63.02406	1.0
65.03943	2.2
67.05502	5.5
68.99797	2.8
69.03436	2.2
69.07071	19.7
69.56676	4.6
70.75252	0.7
75.96723	0.7
76.39985	0.7
76.59666	0.9
77.03934	2.0
79.05496	26.1
81.03425	2.4
81.07063	20.2
83.08630	6.5
84.04507	1.7
85.02910	1.9
85.04842	2.8
86.56062	0.8
89.03921	36.4
91.05482	18.2
92.02594	1.7
92.06232	0.7
93.07047	42.7
95.04984	7.3
95.08604	18.6
97.10246	0.9
103.05457	15.1
103.06058	1.1
105.03393	2.9
105.04526	4.3
105.07037	17.2
106.06590	1.8
107.04961	16.1
107.08596	100.0
109.06509	2.8
109.10178	0.9
115.05448	1.4
117.03382	26.1
117.05754	1.0
117.07026	6.3
118.06541	1.6
119.06065	1.9
119.08579	5.6
120.05782	0.9
121.02920	1.1
121.06505	3.6
121.10146	42.0
122.10493	0.9
130.06552	3.1
130.07794	2.8
131.04936	16.4
132.08075	4.5
133.02856	11.2
135.04420	65.3
135.08040	6.5
135.11700	16.2
136.04761	1.6
136.07578	4.0
143.08592	1.1
145.02855	20.2
145.03972	1.6
145.06583	1.8
145.08447	1.8
145.08963	1.0
145.10118	11.9
148.08910	1.0
154.91388	0.8
163.03906	91.3
163.07533	15.1
163.08670	1.2
163.09796	0.7
163.11188	18.7
163.12384	2.6
163.14822	36.1
164.04305	2.1
164.07091	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03955	6.9
55.01867	2.8
55.05504	5.9
57.03430	2.5
64.39980	1.1
66.07266	1.1
67.05488	4.6
69.03435	6.5
69.07063	6.3
71.99509	1.1
77.03904	2.1
79.05493	19.2
81.03388	1.8
81.07053	13.6
83.04959	2.9
89.03925	25.1
91.05477	19.9
92.02586	1.1
93.07042	30.0
95.04376	2.0
95.04967	34.8
95.08601	6.3
98.20782	2.0
103.05476	20.1
105.03387	2.4
105.04488	2.3
105.07029	24.2
106.06550	2.1
107.04955	10.2
107.08593	52.9
109.06505	2.8
115.05450	3.3
117.03380	19.8
117.07010	11.2
119.08581	13.3
121.02908	1.6
121.06513	10.0
121.10142	36.3
123.08055	1.7
129.07008	2.2
130.06512	2.6
130.07767	8.0
131.04921	22.6
132.08110	1.9
133.02866	8.9
133.06459	2.1
133.10121	2.6
135.04420	45.9
135.08031	5.1
135.11676	17.6
136.07581	1.8
145.01921	1.5
145.02873	14.0
145.03947	1.1
145.06474	2.5
145.10114	29.7
148.08849	1.8
163.03903	65.3
163.07535	14.1
163.11177	100.0
163.14775	5.8
164.04308	1.3
164.07033	2.4
164.11598	1.3
179.94785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01599	0.5
51.02376	1.2
53.03943	6.2
55.01867	1.7
55.05510	2.9
56.96570	0.7
57.03424	0.7
57.07066	0.7
62.01573	0.4
63.02354	1.0
65.03947	1.0
67.05501	3.6
68.99784	1.1
69.03425	1.9
69.07062	5.3
69.95850	2.2
77.03892	2.0
79.05492	17.6
80.05057	0.5
80.93065	0.5
81.03409	1.5
81.07048	7.0
83.04971	0.6
83.08614	1.8
84.08144	0.6
85.02890	0.9
89.03915	19.6
91.05476	9.4
92.02613	1.9
92.39494	0.4
93.07037	13.1
93.07629	0.6
94.06571	0.5
95.04972	7.1
95.08607	3.8
100.02482	0.5
103.05464	83.1
104.05786	1.5
105.03402	2.8
105.04517	3.4
105.07029	6.5
106.06539	1.8
107.04961	11.8
107.08591	23.0
109.06501	0.9
109.10191	0.5
115.05485	1.6
117.03374	16.4
117.05707	1.5
117.07005	4.2
118.03698	0.5
119.04915	0.6
119.08576	3.7
120.04446	0.5
120.08033	0.5
121.06493	3.7
121.10143	12.3
121.95680	0.6
122.10403	0.4
123.08005	0.6
130.06528	3.6
130.07767	1.8
131.04927	100.0
132.05228	2.5
132.08101	4.0
133.02847	11.5
133.06454	0.6
133.10098	0.8
135.04414	44.5
135.08044	6.3
135.11688	6.2
136.04747	1.0
136.07570	3.4
145.02859	11.5
145.03940	1.3
145.06528	2.4
145.10117	7.2
147.07962	0.5
148.05132	0.9
148.08813	1.7
163.03897	75.8
163.07536	46.6
163.08603	1.6
163.11157	25.4
163.12300	2.1
163.14803	7.9
164.04385	2.1
164.06990	1.4
164.08171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02364	1.4
53.03944	10.5
55.01860	1.8
55.05510	7.0
57.03435	0.8
65.03938	0.7
67.05509	6.6
69.03436	5.1
69.07056	2.9
71.04986	0.9
77.03912	4.1
79.05498	18.2
81.03406	1.4
81.07051	5.9
83.04986	7.7
85.06516	0.6
89.03924	8.0
91.04904	1.1
91.05483	16.4
92.02637	4.0
93.07047	22.3
95.04972	11.2
95.08609	2.8
98.21536	1.3
103.04817	1.0
103.05471	15.6
103.62443	0.6
105.03399	5.5
105.04505	5.4
105.07035	21.5
106.06551	0.7
107.04961	9.3
107.08595	41.8
108.08942	0.8
109.06532	5.4
112.07630	0.7
115.05436	2.5
117.03369	5.7
117.07019	12.1
119.04930	0.7
119.06023	0.6
119.08589	5.5
120.02089	1.3
121.06505	7.3
121.10149	8.5
122.07292	2.9
123.08055	1.9
128.06209	1.3
129.06996	1.8
130.06650	1.2
130.07790	11.1
131.04939	18.1
131.08109	0.7
132.08095	2.6
133.02859	25.9
134.03249	0.8
135.04420	31.8
135.08055	32.7
135.10707	1.1
135.11696	18.5
136.04727	0.7
138.03146	1.1
141.14119	0.8
143.08554	3.1
145.02870	4.7
145.03938	1.1
145.10127	52.4
146.10454	1.6
148.08817	1.0
158.99802	0.6
163.03911	100.0
163.07533	8.5
163.11179	57.6
164.04210	2.8
164.11610	1.5
170.36806	0.6
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
51.02371	0.7
53.03946	6.3
55.01865	2.3
55.05506	2.9
57.03431	1.2
57.07070	1.2
64.48277	0.6
65.03941	0.7
65.45140	0.5
67.05504	2.8
68.99801	0.6
69.03427	1.6
69.07069	8.3
70.70258	1.3
76.20123	0.6
77.03918	1.7
79.05491	19.0
81.03405	1.1
81.07063	6.1
83.08615	1.4
85.02914	0.7
89.03917	20.8
91.05479	14.5
92.02625	1.2
92.06268	1.0
93.07040	16.4
95.04961	6.7
95.08612	5.6
102.04678	0.7
102.95464	0.5
103.05465	100.0
104.05751	1.1
105.03407	2.5
105.04510	3.3
105.07027	12.6
106.06544	1.3
107.04234	0.7
107.04957	12.3
107.08593	32.0
108.08860	0.7
109.06503	0.8
109.10120	0.7
115.05499	2.7
117.03378	17.5
117.05721	1.3
117.07017	5.3
118.06593	0.5
119.04951	1.3
119.05992	0.5
119.08564	4.9
120.05720	4.5
121.06507	4.5
121.10139	16.9
123.07999	0.8
130.06546	2.6
130.07793	1.6
131.04927	77.8
132.05263	1.5
132.08078	2.4
133.02843	7.6
133.06538	1.0
135.04419	38.0
135.08051	44.5
135.11678	8.6
136.04810	1.0
136.07494	2.5
136.08478	0.7
145.02861	10.9
145.03941	0.8
145.06493	2.0
145.10141	6.5
147.08034	0.7
148.08839	0.6
163.03902	59.7
163.07536	51.9
163.11166	20.7
163.12312	1.5
163.14818	13.1
164.04303	1.4
164.06891	1.0
164.08150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03932	3.2
63.02356	1.8
71.10744	2.0
73.32659	0.7
77.03924	1.5
79.05494	12.5
89.03915	89.8
90.04250	1.2
95.04990	1.8
95.96919	0.8
105.04533	1.1
107.04951	15.7
117.03378	75.8
135.04410	100.0
136.04745	2.1
144.37755	0.8
145.02849	47.4
145.03922	3.2
146.03151	1.4
163.03897	83.7
164.04231	2.6
170.14262	0.8
183.21347	0.9
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	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03949	2.6
55.30165	0.8
63.02378	3.1
79.05496	10.1
82.92021	0.8
89.03922	87.4
90.04253	1.7
95.04977	2.7
98.20763	2.7
105.04505	1.6
107.04964	14.9
117.03383	70.8
118.03728	1.7
124.93614	0.8
130.31195	0.8
135.04419	100.0
136.04747	1.9
145.02852	45.8
145.03897	2.2
163.03909	81.0
164.04218	2.1
172.50945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03946	1.8
55.89936	0.6
63.02369	2.7
71.15053	1.3
77.03915	1.7
79.05494	11.5
89.03916	78.4
90.04261	0.9
95.04980	2.0
96.49204	0.6
103.05446	0.8
103.92134	0.6
105.04507	1.3
107.04954	14.8
117.03375	68.0
118.03763	1.1
122.96437	0.6
131.04910	0.9
132.02094	1.0
135.04411	100.0
136.04744	1.7
145.02847	43.5
145.03886	2.4
146.03156	0.8
163.03902	87.6
164.04222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03939	3.0
57.67312	0.6
63.02375	2.6
67.99271	0.7
70.45604	1.5
70.45992	1.4
77.03928	1.2
79.05489	11.0
82.69700	0.7
89.03917	82.7
90.04253	1.3
91.05513	1.0
95.04950	1.6
105.04498	1.4
107.04955	14.7
117.03382	75.2
118.03698	1.0
132.02068	1.4
135.04414	100.0
136.04753	2.7
145.02849	44.0
145.03888	2.1
146.03227	0.9
151.62158	0.8
163.03906	85.7
164.04147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
63.02375	2.2
68.05482	0.8
69.62307	5.2
77.03915	0.8
79.05490	11.9
89.03916	90.6
90.04247	1.4
95.04980	1.9
100.57867	0.7
101.54007	0.8
105.04486	1.8
107.04951	16.1
117.03380	77.6
133.96552	0.8
135.04414	100.0
136.04803	1.1
136.42819	0.8
145.02850	46.7
145.03902	2.5
146.03171	0.8
163.03902	85.1
164.04230	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	1.8
55.01869	2.3
55.05510	7.3
55.41112	0.4
56.05029	1.7
57.03429	0.5
65.03941	0.9
67.05507	4.0
69.03430	1.3
69.07070	7.2
69.51241	0.4
69.80773	2.8
70.91685	0.5
72.08176	0.6
77.03931	1.0
78.93122	1.2
79.05499	9.9
81.07057	25.0
83.08636	0.9
84.04506	21.4
85.02935	0.8
87.04471	0.9
89.03906	0.6
90.04740	0.7
91.05482	21.4
92.05807	0.6
93.07050	13.1
95.04967	1.1
95.08609	1.9
97.02893	1.5
98.21474	0.6
102.05535	3.9
103.05462	5.2
104.06244	0.7
105.07034	100.0
106.06603	0.9
106.07347	1.9
107.08571	3.2
113.02364	2.1
115.04031	0.6
115.05450	7.6
115.13199	0.7
116.07089	1.4
117.07022	13.2
118.04172	3.6
118.06565	1.0
119.04955	1.0
119.08584	90.6
119.25301	0.5
119.95743	1.5
120.08930	1.6
121.06515	0.7
121.10189	1.3
125.02361	0.6
128.06238	1.3
131.04924	1.6
131.08582	6.5
132.09349	1.3
133.06502	8.3
133.10132	39.6
134.06036	0.8
134.09636	1.2
134.10512	1.2
143.03391	0.7
143.04927	1.7
143.07306	3.0
143.08571	1.8
144.06693	2.0
144.08087	67.0
145.08421	1.5
145.10117	0.8
146.03633	2.3
146.07259	1.2
146.10933	2.6
155.06036	0.7
158.39421	0.7
159.11693	2.8
161.04648	0.8
161.05975	18.8
161.07101	1.4
161.09618	13.8
161.13263	66.7
162.05502	1.3
162.07780	0.5
162.09134	1.9
162.13588	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54957	0.6
51.02382	0.7
53.03952	1.0
55.01861	1.1
55.05513	5.7
67.05499	4.4
69.07069	8.3
71.08580	1.5
74.06067	0.6
77.03965	0.6
79.05496	7.3
80.03823	0.6
81.07056	29.8
85.02917	0.8
87.04463	0.6
89.89408	0.6
91.05486	16.9
93.07046	14.0
95.04990	0.7
95.08592	3.5
97.02887	1.1
101.95064	0.6
103.05475	2.7
105.07030	100.0
106.06626	0.7
106.07372	2.8
107.08595	3.4
115.03912	0.7
115.05432	2.1
115.13099	0.7
117.07011	6.6
118.04137	1.3
118.06531	2.8
119.08583	81.5
120.08893	0.9
124.37703	0.6
128.06267	0.8
131.08557	3.9
132.09302	1.7
133.06497	1.8
133.10135	29.3
134.06036	0.7
143.04916	1.0
143.08533	1.1
144.04402	0.7
144.08092	14.9
145.10086	1.3
146.03571	1.2
146.07281	1.0
146.10895	1.8
159.11688	2.8
161.05975	5.2
161.07071	1.5
161.09619	6.5
161.13255	65.1
162.05499	1.7
162.13626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	4.9
59.04985	0.4
69.07066	5.4
70.06588	0.6
71.12743	0.5
72.08146	1.9
73.06546	0.9
84.08133	0.7
85.08923	4.5
86.09713	1.7
101.00842	0.2
108.45018	0.3
114.12806	100.0
115.05453	0.4
115.13161	1.2
115.25658	0.2
117.05758	0.2
118.96820	0.3
119.01902	0.4
132.04445	0.2
132.08075	0.5
142.12276	0.2
160.07578	2.3
160.09694	0.4
160.13333	17.6
161.13777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
56.05011	0.3
57.05811	0.6
58.06309	0.4
58.06599	7.1
60.04534	0.2
69.07074	0.4
70.06565	0.4
70.87328	0.4
70.87668	0.4
71.07375	0.7
72.08153	14.1
92.70314	0.3
99.23047	0.2
114.12805	100.0
115.13140	1.4
132.08093	0.4
160.07561	0.7
160.13333	15.6
161.13762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68442	0.3
70.68792	0.4
70.95170	0.2
71.95235	0.2
82.99844	7.8
83.99908	0.3
98.97591	0.3
99.99854	0.2
101.00884	54.5
101.95020	0.3
102.00948	2.6
111.00430	0.4
119.01925	100.0
120.01998	4.1
121.02376	0.5
124.02496	0.5
125.02631	0.2
133.03476	0.3
133.71635	0.2
137.02959	15.7
138.03067	0.6
142.03500	0.8
143.01883	0.5
143.03653	1.4
144.03207	0.2
150.74992	0.2
161.02956	4.9
161.04143	0.4
173.97093	0.2
179.04008	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	160.037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18610	0.3
51.35629	0.3
51.73254	0.3
54.43935	0.4
59.73264	0.4
63.50267	0.4
70.06587	2.9
71.06915	0.4
71.48548	0.8
72.08163	0.9
82.35413	0.4
92.83717	0.4
103.68960	0.4
114.05539	0.5
114.09156	2.7
116.04739	100.0
117.05064	1.4
160.03700	12.7
160.09676	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	160.0758
Annotation	3-Methyl-quinolin-2-ol
Peak:m/z	Relative Intensity
57.02871	0.5
59.62655	0.4
59.93102	0.7
64.51106	0.5
71.28142	0.8
72.08155	1.2
91.05484	1.2
102.46072	0.5
104.05006	0.5
105.07015	1.6
114.12805	6.8
115.05454	12.8
115.63987	0.5
116.04970	2.0
117.05759	7.5
118.06544	9.8
118.96748	2.4
130.06548	1.2
131.07263	0.7
132.04453	25.8
132.08090	41.2
133.08472	1.1
136.95413	0.6
140.04927	2.3
142.06525	21.2
145.05257	0.7
160.07579	100.0
161.07945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1177
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
55.05509	0.4
56.05032	0.3
56.96563	1.7
57.03440	0.3
57.07051	0.2
57.93568	0.7
58.06600	1.4
60.22165	0.2
61.08340	0.1
61.37414	0.2
67.05506	0.4
68.05025	0.3
69.03432	0.5
69.07081	0.3
70.04079	2.6
70.06593	13.4
71.04990	0.6
71.06924	0.3
71.42112	0.2
72.08149	0.4
72.93798	0.2
75.94605	0.4
76.04022	0.2
81.03421	0.7
83.04993	0.2
84.04495	0.2
84.08134	1.2
85.02902	0.4
86.03662	0.2
86.06095	0.2
86.09731	0.2
94.06544	0.4
95.04981	0.3
95.06091	0.2
96.04475	0.3
97.77666	0.2
97.96817	0.4
98.06091	1.4
98.09694	100.0
98.97588	5.4
98.98121	0.1
99.04452	0.4
99.10017	1.5
101.00894	0.2
102.05530	0.3
102.09229	0.2
103.05453	0.4
107.07318	0.2
109.02888	0.3
110.01269	0.3
110.97556	0.4
111.47886	0.2
112.02200	0.2
112.05087	0.5
112.07613	1.7
112.08736	7.4
112.11184	0.2
112.55744	0.9
113.02393	0.2
113.05958	0.2
113.07121	0.7
114.05523	0.5
114.55576	0.1
115.08665	0.4
116.07099	2.2
116.97238	2.9
116.98583	1.7
117.02155	0.2
118.06547	0.2
119.01865	0.3
119.07310	0.6
122.06010	0.5
126.02517	0.2
130.06517	4.7
130.08685	0.2
131.00212	0.2
134.05971	0.4
134.95840	0.6
134.99651	0.4
135.06792	1.5
140.07106	0.8
141.01849	0.4
141.06586	0.7
141.77660	0.2
151.06303	0.2
152.96922	0.8
158.05966	3.2
158.09264	10.2
158.11766	38.3
158.15289	1.8
159.06297	0.2
159.12083	0.6
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
55.77623	0.3
56.96570	0.7
57.03444	0.4
57.07054	0.4
57.93568	0.5
58.81166	0.3
66.92549	0.3
69.53643	2.6
70.06606	3.0
73.85703	0.4
76.72385	0.3
76.93372	0.6
77.55723	0.3
81.46172	0.3
82.06604	0.4
84.08151	0.7
85.01137	0.6
85.02927	0.4
91.05487	0.9
93.05762	0.4
98.06050	0.5
98.09715	0.4
98.97573	3.7
102.09178	0.5
103.05473	0.4
112.07622	1.8
112.08720	0.4
113.02396	0.6
115.05457	1.3
116.06280	0.5
116.07064	0.4
116.97251	1.6
116.98590	1.6
117.05766	3.8
117.07036	0.8
118.06519	0.6
123.48195	0.3
125.84412	0.3
129.07025	0.5
130.06528	8.2
130.07486	0.6
131.08563	1.3
132.08090	1.5
134.95897	0.4
141.01833	1.9
141.07008	0.6
142.06522	1.2
143.07310	52.0
144.07658	0.8
152.96904	0.4
156.08144	0.6
156.64944	0.4
157.08827	1.4
158.09653	100.0
159.08975	0.7
159.10037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
52.51962	0.3
55.05512	0.9
56.05032	1.2
56.96568	0.6
57.03423	0.8
57.07082	0.4
58.06601	6.0
61.02930	0.6
67.05499	1.7
68.05029	1.7
69.03425	0.5
69.07074	0.6
69.09178	0.3
70.04076	12.6
70.06591	65.5
70.95064	0.3
71.04990	3.3
71.06937	1.2
71.07337	0.4
71.49002	0.5
71.49374	0.4
72.04506	1.5
72.08157	0.6
73.02935	0.4
74.02433	0.4
81.03434	0.8
81.07067	0.5
82.06561	0.7
82.81348	0.3
84.04510	1.2
84.08144	18.4
85.02892	0.6
85.06539	0.7
85.07678	1.5
85.08450	0.3
86.06085	1.0
87.04462	0.6
93.07047	0.4
94.06593	0.6
95.04994	0.8
95.06080	1.8
96.04473	0.8
97.07661	0.8
98.06052	2.7
98.09692	94.1
99.01964	0.9
99.04457	2.1
99.10040	1.5
100.07623	1.1
102.05550	1.2
102.09200	0.5
103.05473	0.5
112.03982	0.4
112.05111	1.3
112.07613	22.0
112.08734	37.6
112.11243	1.1
112.55751	1.1
113.07129	6.3
113.09051	0.5
114.05513	2.3
115.05396	0.3
115.08727	2.1
116.07095	9.7
119.07391	0.4
122.06008	0.5
123.11698	0.8
126.09173	2.3
128.88513	0.3
130.06526	7.7
130.08655	1.4
140.03395	0.4
140.07089	0.9
140.10686	0.6
141.01852	0.7
141.06561	2.9
146.89194	0.3
158.05724	8.0
158.08141	3.3
158.09256	47.7
158.11760	100.0
158.15323	5.5
159.07657	1.3
159.09604	0.6
159.12149	1.7
171.30856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
56.05040	0.3
56.96579	1.5
57.03445	0.4
57.93561	1.3
67.05509	0.3
68.05022	0.4
69.03410	0.2
69.07079	1.4
70.06593	100.0
71.04986	0.2
71.06930	0.8
71.42899	0.4
71.95284	0.2
75.33171	0.2
75.94602	0.7
76.93353	0.3
81.03442	0.3
84.04503	0.6
84.08150	0.7
85.02929	0.3
90.04707	0.3
93.95685	0.3
94.06556	0.2
94.99096	0.2
95.05008	0.3
98.06035	0.5
98.09689	2.0
98.97590	7.5
99.04422	0.3
103.05502	0.3
110.01302	0.3
112.07607	31.8
112.55753	3.2
113.05931	0.4
113.07948	0.5
115.05474	0.3
116.07095	16.9
116.97240	4.6
116.98589	2.6
117.96043	0.3
126.02563	0.3
126.55475	0.4
130.06537	4.0
134.95866	0.9
134.99690	0.7
135.06795	0.6
140.07062	1.6
141.01831	0.8
142.74178	0.3
148.96127	0.2
152.96901	1.5
158.06049	3.1
158.08118	2.8
158.09555	2.3
158.11790	1.1
158.15457	0.4
159.02831	0.2
169.00146	0.3
175.98584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32188	2.2
69.96191	2.5
71.49046	3.7
72.08141	2.5
83.06120	9.8
93.04510	8.1
95.06078	10.2
100.28200	2.2
110.02119	4.8
110.07166	100.0
114.00932	3.8
119.01936	3.0
120.99005	2.4
131.01921	5.5
131.95221	3.1
131.96143	16.8
132.01979	4.1
138.01619	18.5
141.02783	3.1
149.97176	5.9
155.04280	36.3
156.07651	6.9
173.41968	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	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93834	3.2
56.96562	0.5
58.57927	0.3
69.96179	29.6
70.75378	0.9
70.95870	5.9
71.94105	10.1
72.93792	7.1
72.94890	0.5
87.97236	0.7
88.96913	0.4
90.94833	1.1
101.00908	0.6
108.42876	0.3
110.98787	1.4
111.98488	2.2
113.00890	1.2
113.95113	9.7
113.96356	2.7
114.01010	0.5
114.04023	1.1
114.88450	0.3
119.01892	0.9
119.06059	0.3
119.97308	0.6
122.98101	0.3
128.97885	0.5
129.99551	0.4
131.01938	2.2
131.96155	100.0
132.02019	0.6
132.05064	4.0
132.95834	8.5
132.96838	0.4
133.03453	0.5
141.95676	0.6
149.97208	60.0
150.06131	1.3
150.96857	5.6
150.97919	0.4
154.90804	0.5
154.97760	3.0
155.01910	0.6
155.06900	0.4
155.97469	0.9
161.94926	0.3
163.32127	0.3
167.98236	1.8
172.98788	2.2
173.98463	0.3
174.06116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04249	0.4
55.05518	4.3
56.05031	0.7
57.07068	0.5
65.03916	0.7
67.05502	1.2
68.96329	0.8
69.03432	0.8
69.07067	0.4
69.71848	0.4
70.06578	1.1
70.94256	1.2
71.04978	0.7
71.94091	0.7
72.93791	5.5
79.05483	2.1
81.07063	7.6
82.06582	1.6
83.04989	0.8
83.07355	0.6
83.08603	1.1
84.08136	0.6
89.84721	0.4
90.94823	1.3
91.05483	0.7
93.05763	0.5
95.04990	0.7
95.08603	0.7
96.04500	0.5
96.79855	0.4
97.05279	2.8
98.06073	2.8
98.09731	2.0
99.04458	0.5
108.08142	2.8
109.06531	6.1
109.10152	0.9
110.06070	3.8
110.06807	0.6
111.06841	4.0
112.96745	0.5
113.96433	3.7
122.03184	0.5
124.07645	0.4
125.08400	0.7
126.05525	0.5
126.09168	3.4
127.03848	0.6
130.96330	2.2
131.97469	1.4
136.03967	0.4
136.07585	1.1
139.06296	5.2
148.97395	0.8
152.07138	0.5
154.05157	2.3
154.08641	100.0
155.03363	0.5
155.07054	0.9
155.09007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05270	0.4
55.05512	5.5
56.05019	0.8
57.03446	0.3
62.63815	0.3
65.03933	0.9
67.05489	1.0
68.05027	0.3
68.96336	1.6
69.03411	0.6
69.07082	0.4
69.66507	1.7
70.06581	1.6
70.94268	1.4
71.94103	0.6
72.93787	7.8
79.05494	3.0
80.04991	0.3
81.03408	0.4
81.06591	0.5
81.07052	8.3
82.06565	1.4
82.07350	0.5
83.04961	0.6
83.07333	0.5
83.08616	1.2
84.04495	0.3
84.08134	0.8
85.06503	0.3
86.97337	0.4
87.04486	0.4
90.94823	1.3
91.05476	1.2
93.03366	0.5
93.05789	0.9
93.07029	0.4
95.04964	1.2
95.08597	0.5
96.04501	0.9
96.05299	1.0
96.08107	0.3
97.05264	2.9
98.06060	3.0
98.09693	2.2
98.21547	0.3
98.98440	0.3
108.04479	0.5
108.08107	3.1
108.08890	0.7
109.02845	0.8
109.05801	0.5
109.06512	6.2
109.98965	0.6
110.06045	4.6
110.06807	0.6
111.04437	1.0
111.06821	5.3
111.07995	0.3
112.96692	0.3
113.96401	4.6
124.07580	0.8
125.08383	1.0
126.05486	0.8
126.09149	4.0
126.10002	0.5
127.03935	0.6
128.00012	0.4
130.96295	3.2
131.96165	0.4
131.97458	1.7
136.03915	0.5
136.07570	5.4
137.05991	0.4
138.05475	0.6
139.06282	5.2
148.97356	2.5
151.12581	0.3
152.07059	0.6
154.05173	2.0
154.08624	100.0
155.03381	0.6
155.07051	0.6
155.08974	1.3
170.04968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Dopamine
Peak:m/z	Relative Intensity
53.03928	1.1
55.05520	0.7
56.30146	0.3
56.96549	1.2
65.03934	2.5
65.79269	0.4
67.05505	0.5
68.05019	0.4
68.96339	4.2
69.03418	0.7
69.96164	0.8
70.06586	0.9
70.14803	0.4
70.93935	0.3
70.94263	2.5
71.48431	0.4
71.48792	0.5
71.94103	0.7
72.93782	1.3
79.05502	0.9
80.05020	3.6
81.03406	0.9
81.07051	2.4
82.06583	0.7
83.06089	0.4
84.04501	0.7
84.08130	0.6
88.95309	0.7
91.05487	38.9
92.05009	3.4
92.05817	0.5
93.03387	1.1
94.06567	0.4
95.02396	0.5
97.02882	0.7
108.04485	2.3
108.08108	1.6
109.02904	0.9
109.06528	3.1
109.98957	1.6
110.06033	1.7
111.04464	1.9
111.96836	0.4
112.03971	0.6
113.00867	0.7
113.96348	0.7
119.04947	25.7
120.05280	0.5
123.06827	0.6
124.07576	1.2
126.05549	2.4
126.09155	1.1
127.03942	0.7
130.96320	6.8
131.01907	1.1
131.96124	2.0
136.03954	5.1
136.04967	0.6
136.07582	5.5
137.02348	1.1
137.05983	100.0
138.06339	1.4
145.01714	0.4
148.97366	4.6
149.97218	1.4
154.05003	28.5
154.06029	1.3
154.08644	11.3
154.09790	1.7
154.12241	1.8
155.03406	0.7
155.05486	0.4
155.08101	0.6
171.98770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Geranial
Peak:m/z	Relative Intensity
51.57047	0.4
53.03962	2.0
55.01867	1.3
55.05512	33.8
57.03432	1.0
57.07067	0.8
57.40936	0.4
59.05002	1.0
63.59465	0.4
64.16859	0.4
65.03938	4.6
67.01861	1.3
67.05508	4.2
68.99779	1.0
69.03429	2.8
69.07068	100.0
70.07393	0.7
70.94258	4.0
70.95863	1.6
71.04984	3.2
71.50488	0.6
71.94091	1.1
73.06552	1.0
79.05492	5.8
81.07056	7.7
83.01321	0.4
83.04987	3.8
83.08615	1.3
84.04494	0.5
84.11281	0.4
85.02868	0.6
88.95319	1.1
91.05476	3.5
93.03413	3.0
93.07047	10.4
93.07629	0.5
95.04966	10.5
95.08611	3.6
97.06520	7.1
102.37481	0.5
107.04955	2.3
107.08591	11.9
109.06509	2.0
109.10152	3.8
110.03656	1.1
111.04442	4.4
111.08092	4.0
111.96886	2.9
111.98454	0.6
117.07035	0.6
119.08619	0.6
125.02376	0.6
125.05981	4.0
125.09664	1.6
125.97984	0.5
129.97879	1.1
130.96387	0.6
135.04463	0.8
135.08066	1.7
135.11684	4.4
136.04025	0.5
136.07600	0.6
137.02318	0.5
138.03130	0.8
138.06715	0.4
153.01862	5.4
153.05498	4.6
153.06630	1.0
153.09122	3.2
153.12744	9.4
154.05031	1.3
154.08643	1.0
154.09746	0.7
168.72125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
50.01210	0.6
51.09169	0.6
53.03937	2.0
55.01865	2.5
55.05516	11.2
56.36784	0.6
57.03438	4.7
57.07079	1.8
59.05014	1.2
65.03941	5.1
67.05139	0.9
67.05508	31.1
69.03425	3.0
69.07072	55.6
70.06589	0.9
70.07425	0.9
70.83956	1.3
70.84297	0.7
70.94258	5.9
70.95861	1.9
71.04983	2.1
71.94101	1.6
71.95290	1.1
73.06548	0.9
77.03919	0.8
79.05498	30.7
80.04999	0.7
81.03394	1.0
81.07059	37.9
82.07398	0.8
83.04989	5.7
83.08627	5.2
85.06541	2.3
88.95296	2.2
90.98236	0.7
91.05461	6.1
93.03415	4.1
93.07050	44.0
94.07358	1.2
95.04978	3.0
95.08611	18.9
97.06535	20.8
105.07028	2.0
107.04936	1.6
107.08598	49.7
108.04491	1.1
109.06513	0.9
109.10161	34.6
110.03627	1.1
111.04490	6.4
111.08091	7.9
111.96886	3.5
112.96712	0.9
125.06023	4.4
126.05486	0.9
126.06326	1.0
129.97942	1.6
135.04407	0.9
135.11697	100.0
136.12030	1.4
137.00594	0.7
138.05188	0.8
153.05547	4.5
153.07437	2.4
153.09145	2.5
153.12752	77.3
154.04967	2.0
154.13068	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	153.1273
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
50.65702	0.3
53.03941	1.4
54.78455	0.3
55.01873	0.6
55.05510	32.7
56.16462	0.3
57.03416	0.4
59.04996	0.6
61.39151	0.3
65.03936	3.0
67.05511	2.5
68.96319	0.5
69.03419	1.5
69.07065	100.0
70.06586	0.3
70.07395	1.2
70.18703	1.4
70.94254	1.9
70.95835	0.4
71.05001	0.9
71.55908	0.3
74.05550	0.3
78.32662	0.3
79.05489	3.2
79.05924	0.4
81.03456	0.3
81.07034	1.9
83.04979	4.0
83.08609	0.9
86.77503	0.3
88.95294	0.6
91.05454	2.1
93.03403	2.7
93.07047	6.0
95.04954	2.4
95.08605	2.4
97.02871	0.4
97.06520	4.7
97.10123	0.3
98.21513	0.4
99.87438	0.3
103.04583	0.3
105.07006	0.3
107.04948	2.5
107.08588	7.3
109.06495	1.5
109.10155	2.0
110.03658	1.0
110.06081	0.3
111.04435	4.7
111.08099	2.0
111.96877	0.9
119.08546	0.3
125.05987	1.6
125.09623	0.4
126.05532	0.5
130.96283	0.8
135.04454	1.1
135.08089	1.1
135.11673	2.2
136.07565	3.2
148.97322	0.5
153.01871	1.3
153.05473	2.9
153.06613	0.6
153.09163	1.4
153.12733	7.7
154.05020	1.1
154.08655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56588	0.5
53.03914	2.3
55.01838	2.8
55.05511	12.0
56.03165	0.7
57.03401	1.1
57.07045	1.1
59.04956	2.2
59.05226	0.6
63.43745	0.6
65.03942	12.2
67.01852	1.2
67.05506	9.8
68.96289	0.8
68.99751	2.6
69.03434	11.0
69.07069	20.0
70.06567	1.1
70.94261	10.7
70.95851	3.4
71.01337	0.7
71.04955	2.0
71.94066	2.0
73.06520	0.6
77.03884	1.0
79.01833	1.0
79.05491	24.2
81.03400	0.7
81.07059	12.1
83.01316	1.6
83.04977	14.2
83.08588	2.9
84.04465	0.7
84.08115	1.0
85.02857	0.9
88.95304	3.0
88.96886	0.9
89.02362	0.7
91.05479	17.7
92.06271	0.8
93.03405	8.1
93.06507	0.9
93.07050	15.4
95.04967	22.4
95.08596	5.9
97.02894	1.6
97.06531	13.5
97.10141	1.2
98.21451	1.7
105.04556	1.1
105.07018	7.7
106.96239	0.7
107.04946	6.3
107.08592	49.5
108.04489	0.7
108.08893	0.8
109.02853	0.8
109.06509	9.3
109.10141	7.6
110.03631	2.3
110.07283	1.8
111.03716	1.3
111.04442	17.0
111.05584	0.7
111.08081	27.7
111.96863	7.3
112.07603	1.0
112.08356	0.7
115.05441	1.1
117.06963	1.1
119.06059	2.6
123.04512	0.7
124.05222	1.0
125.02321	1.5
125.05997	10.9
125.09630	100.0
125.31990	0.7
126.05517	1.3
126.09962	2.7
129.97906	3.4
130.96309	1.1
135.04425	2.1
135.08055	35.4
135.11656	3.5
136.03979	1.0
136.07570	1.1
136.49800	0.6
137.49878	0.6
138.03133	1.8
138.06808	1.4
138.07852	1.4
148.97375	1.4
150.73207	0.6
153.01849	5.0
153.04230	0.6
153.05498	9.7
153.06586	1.8
153.09132	28.4
153.10263	4.7
153.11612	1.3
153.12738	7.6
154.02386	0.7
154.05011	5.1
154.08655	3.8
154.09755	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.52886	0.4
55.01883	1.5
55.05512	31.1
57.03442	1.5
57.07071	0.8
57.62344	0.4
59.05013	1.2
59.88281	0.4
65.03943	8.8
67.05505	8.5
68.96323	0.9
68.99784	0.7
69.03432	3.1
69.07069	100.0
69.83849	2.0
70.06596	0.9
70.07394	1.0
70.94258	6.1
70.95871	1.5
71.04991	2.9
71.94105	1.2
79.05493	10.7
80.05022	0.5
81.03414	1.0
81.07055	7.1
82.06597	0.5
83.04979	8.2
83.08614	1.3
84.89283	0.4
85.02905	0.5
88.19939	0.4
88.95300	2.2
88.96884	0.4
89.62486	0.5
91.05481	7.0
93.03403	5.6
93.07043	15.1
94.06578	0.8
94.07346	0.5
94.36752	0.5
95.04968	71.5
95.08610	5.5
95.14376	0.4
96.04575	0.5
96.05307	1.3
97.02905	1.3
97.06534	10.0
97.10148	0.6
105.04536	1.0
105.07026	2.0
107.04954	5.1
107.08598	18.9
108.04459	0.7
109.06516	12.9
109.10158	4.9
109.98965	0.6
110.03625	2.1
110.06050	0.6
111.04446	13.0
111.08080	14.3
111.96882	3.5
112.08646	0.6
112.96708	0.5
117.07064	0.5
121.02883	4.4
125.06005	6.2
125.07001	0.9
125.09628	3.3
129.97903	1.9
130.96323	1.5
134.05873	0.4
135.04416	1.8
135.08046	4.4
135.11691	4.7
136.03923	1.0
136.07568	1.1
138.06755	0.7
148.97318	1.7
153.01828	3.5
153.04254	0.6
153.05455	5.1
153.06561	1.2
153.09123	7.1
153.10197	0.6
153.12749	10.5
153.13933	0.8
154.02396	0.5
154.04984	2.7
154.08624	2.2
154.09654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01858	0.7
55.05511	4.6
57.03440	0.5
58.99577	0.2
59.04990	0.5
65.03612	0.3
65.03941	4.4
67.05506	5.8
68.96328	0.6
68.99786	0.3
69.03436	1.1
69.07069	14.9
69.29654	0.6
69.30070	1.1
70.94260	2.4
70.95866	0.8
71.01341	0.3
71.05000	1.0
71.94099	0.4
73.06551	0.4
79.05492	3.9
80.05025	0.2
81.03419	0.4
81.07053	2.7
81.36562	0.2
83.04975	2.0
83.08637	0.4
86.58804	0.2
88.95294	0.8
91.05474	1.8
92.93039	0.2
93.03407	2.5
93.07044	4.1
94.06575	0.3
95.01324	0.7
95.04969	100.0
95.08595	1.3
96.05314	1.4
97.02881	0.3
97.06539	2.4
98.21489	0.3
105.04496	0.3
105.07063	0.5
107.04958	1.9
107.08605	4.8
109.06512	1.2
109.10164	1.1
110.03680	1.6
111.04446	5.0
111.08081	4.5
111.96904	1.4
111.98497	0.2
117.06998	0.3
125.05990	4.0
125.09622	1.0
126.05570	0.3
129.97911	0.6
130.96323	0.9
135.04434	0.7
135.08035	1.7
135.11690	1.2
136.07556	0.3
139.03931	0.3
148.97424	1.1
153.01817	2.1
153.05484	2.5
153.06577	0.4
153.09093	3.1
153.10176	0.3
153.11157	0.2
153.11604	0.3
153.12758	2.0
154.04974	1.0
154.08638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03948	4.4
53.73793	0.9
55.01873	4.9
55.05513	16.0
57.03431	5.8
57.07078	4.5
59.04990	3.9
65.03619	1.4
65.03940	22.7
67.01862	1.8
67.05505	22.4
68.96344	1.4
68.99779	3.5
69.03430	12.5
69.07069	25.3
70.06598	1.7
70.94261	16.0
70.95872	4.7
71.01340	1.7
71.04984	5.3
71.50082	1.6
71.94079	2.7
79.01866	0.8
79.05494	51.5
80.05025	2.0
81.03418	2.6
81.06597	1.3
81.07058	23.9
83.01321	2.8
83.04975	15.9
83.08615	4.5
84.08147	0.9
85.02914	1.3
85.06541	1.0
88.95288	5.1
88.96911	1.9
91.05482	35.6
92.06292	1.2
93.03409	10.7
93.07047	39.9
94.04186	1.4
94.06539	1.4
95.04969	98.4
95.08611	17.3
96.05297	1.4
97.02909	2.2
97.03998	2.1
97.06530	28.7
97.10155	1.6
105.04510	1.2
105.07037	13.2
107.04956	10.6
107.08598	80.5
108.04492	2.0
108.08147	1.2
108.08890	2.1
109.02864	0.9
109.06519	30.4
109.10155	17.1
110.03638	4.5
111.04447	31.0
111.05583	1.5
111.08079	34.4
111.96885	10.1
111.98454	1.5
112.07561	1.2
112.96683	1.3
115.05499	1.7
117.07008	2.6
119.06055	4.1
121.06567	1.1
123.04422	2.2
123.08073	1.4
125.02407	1.1
125.06010	12.8
125.09634	76.1
126.05498	2.1
126.09958	2.6
129.97925	4.6
129.99484	1.0
130.96309	2.3
135.04420	2.7
135.08058	100.0
135.11690	18.0
136.03961	2.7
136.08430	2.2
137.02336	3.0
138.03151	4.9
138.06747	4.4
148.97380	3.1
153.01846	12.4
153.04222	1.1
153.05493	26.7
153.06569	2.5
153.09106	54.0
153.10158	2.3
153.12737	24.6
153.13950	1.8
154.04974	7.5
154.06097	1.5
154.08614	5.7
154.09737	2.7
154.40414	0.8
171.02867	1.1
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	N-Methyltyramine
Peak:m/z	Relative Intensity
51.02375	0.3
53.03946	1.3
55.01858	0.2
62.24422	0.1
70.64979	0.2
77.03918	0.7
79.05466	0.2
91.04903	0.2
91.05486	5.4
93.07047	11.2
94.07352	0.2
95.04960	1.4
103.05470	6.8
105.04524	0.6
107.04960	0.2
110.03509	0.6
121.06508	100.0
122.06841	1.7
130.12364	0.1
134.06024	0.6
135.03035	1.7
152.05688	4.8
152.07051	1.2
152.10727	1.4
153.04086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.52886	0.4
55.01883	1.5
55.05512	31.1
57.03442	1.5
57.07071	0.8
57.62344	0.4
59.05013	1.2
59.88281	0.4
65.03943	8.8
67.05505	8.5
68.96323	0.9
68.99784	0.7
69.03432	3.1
69.07069	100.0
69.83849	2.0
70.06596	0.9
70.07394	1.0
70.94258	6.1
70.95871	1.5
71.04991	2.9
71.94105	1.2
79.05493	10.7
80.05022	0.5
81.03414	1.0
81.07055	7.1
82.06597	0.5
83.04979	8.2
83.08614	1.3
84.89283	0.4
85.02905	0.5
88.19939	0.4
88.95300	2.2
88.96884	0.4
89.62486	0.5
91.05481	7.0
93.03403	5.6
93.07043	15.1
94.06578	0.8
94.07346	0.5
94.36752	0.5
95.04968	71.5
95.08610	5.5
95.14376	0.4
96.04575	0.5
96.05307	1.3
97.02905	1.3
97.06534	10.0
97.10148	0.6
105.04536	1.0
105.07026	2.0
107.04954	5.1
107.08598	18.9
108.04459	0.7
109.06516	12.9
109.10158	4.9
109.98965	0.6
110.03625	2.1
110.06050	0.6
111.04446	13.0
111.08080	14.3
111.96882	3.5
112.08646	0.6
112.96708	0.5
117.07064	0.5
121.02883	4.4
125.06005	6.2
125.07001	0.9
125.09628	3.3
129.97903	1.9
130.96323	1.5
134.05873	0.4
135.04416	1.8
135.08046	4.4
135.11691	4.7
136.03923	1.0
136.07568	1.1
138.06755	0.7
148.97318	1.7
153.01828	3.5
153.04254	0.6
153.05455	5.1
153.06561	1.2
153.09123	7.1
153.10197	0.6
153.12749	10.5
153.13933	0.8
154.02396	0.5
154.04984	2.7
154.08624	2.2
154.09654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03947	1.5
55.01861	0.3
56.05037	0.4
58.48563	0.2
65.03932	0.8
67.05509	0.5
70.84899	0.7
77.03932	1.0
79.05505	1.3
80.05022	0.4
81.05796	0.4
84.31571	0.2
91.05482	6.9
92.05015	3.9
93.05788	0.8
93.07047	11.5
94.06544	0.3
95.04970	1.3
96.04514	0.3
96.08131	0.7
103.05475	7.7
103.06154	0.4
105.04522	1.0
106.06550	2.1
107.04956	0.4
107.07381	0.3
108.08122	0.7
109.05198	0.5
110.03546	2.1
110.06044	3.9
121.06509	100.0
122.06032	1.2
122.06853	1.0
123.06802	0.7
124.03972	0.5
124.07603	2.0
125.04786	0.5
128.04570	0.4
134.06017	9.0
135.03035	4.5
135.04199	0.4
135.04469	0.4
138.05508	0.6
152.05716	14.5
152.07077	65.2
152.10564	2.1
153.04099	4.1
153.07428	1.3
166.03334	0.2
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	N-Methyltyramine
Peak:m/z	Relative Intensity
53.03951	1.4
53.57885	0.2
56.05030	0.5
63.37321	0.2
65.03933	0.7
70.06561	0.2
70.50552	0.4
70.50892	0.3
73.98870	0.2
77.03922	0.7
79.05498	1.5
80.05021	0.3
81.05781	0.3
84.03013	0.2
91.05492	6.0
92.05005	3.3
92.05830	0.3
93.05782	0.7
93.07046	11.0
95.04966	1.5
96.04486	0.2
96.08129	0.6
103.05470	7.5
105.04501	1.0
106.06552	1.6
107.04976	0.4
107.07322	0.3
108.08116	0.4
110.03529	1.7
110.06051	2.7
116.07014	0.2
120.05328	0.3
121.06506	100.0
122.06026	1.2
122.06846	1.5
123.06809	0.6
124.07623	1.8
125.04733	0.3
128.04588	0.4
134.06017	6.6
135.03026	3.3
137.94125	0.2
138.05511	0.3
138.78549	0.2
140.01541	0.2
152.05713	10.9
152.07074	48.6
152.10590	1.9
153.04089	3.1
153.07434	1.0
168.14044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03954	1.7
55.01855	0.5
56.05039	1.3
63.00720	0.5
65.03945	1.2
67.05486	1.0
68.05014	0.5
69.03413	0.5
69.93771	0.7
69.94190	0.5
70.06591	0.5
71.04984	0.3
77.03932	0.5
78.03447	0.7
79.05496	2.8
80.05016	1.1
81.03420	0.5
81.05790	0.6
81.07050	0.3
82.06580	0.5
84.04481	0.3
85.01405	0.4
91.05479	5.8
92.05006	3.5
92.05595	0.4
92.05782	0.3
93.03414	0.4
93.05786	1.0
93.07048	11.0
94.06558	0.7
94.07339	0.4
95.04977	2.2
96.04486	0.8
96.08140	1.3
97.02872	0.4
97.06523	0.3
98.21422	0.4
103.02448	0.6
103.05467	7.7
105.04519	0.9
106.04908	0.4
106.06566	4.2
107.04950	2.1
107.07350	0.4
108.04449	0.5
108.08118	1.7
109.05209	0.3
110.03538	2.0
110.06061	3.5
111.04449	0.7
120.05281	0.3
121.06506	100.0
122.06026	1.1
122.06853	1.3
123.06819	0.5
124.03974	0.5
124.07590	3.5
124.08530	0.4
125.04713	0.5
125.06002	0.9
128.04599	0.5
129.00336	0.6
129.65959	0.3
134.06017	14.9
134.09718	0.2
135.03021	3.8
135.04422	0.7
138.05467	0.3
147.01384	1.6
152.01700	0.7
152.03604	2.5
152.05711	14.7
152.07074	59.8
152.10587	2.4
153.01857	0.4
153.04082	3.6
153.05351	0.4
153.07426	0.7
160.01837	0.3
170.03029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	guanine
Peak:m/z	Relative Intensity
53.03926	1.1
53.96281	0.2
55.02985	0.4
56.05015	0.4
65.03928	0.4
66.48695	0.3
69.03375	0.3
70.05312	0.8
70.05706	0.4
77.03880	0.3
79.05483	1.5
80.02488	0.5
81.05790	0.4
81.07047	0.3
82.04041	0.6
82.06530	0.3
83.59934	0.2
84.37942	0.3
91.05487	3.6
92.05010	0.8
93.07043	6.4
95.04961	1.1
96.04514	0.2
96.08141	0.5
98.20909	0.3
99.62027	0.2
103.05469	4.2
105.04525	0.8
106.06586	1.3
107.03556	0.4
107.04958	1.0
108.08099	0.3
109.05147	2.0
110.03526	14.7
110.06044	0.4
121.06507	61.0
122.06837	1.0
123.06799	0.4
124.03981	0.7
124.07590	1.9
128.04559	3.5
128.98575	0.4
134.04626	1.2
134.06021	8.6
134.07013	0.5
135.03026	29.8
136.01448	0.8
152.05695	100.0
152.07045	12.2
152.10544	1.3
153.04082	23.1
153.06093	0.9
154.02525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	0.9
55.05517	6.2
57.07076	15.4
57.44131	0.6
59.04995	0.7
65.03947	1.6
67.05507	43.3
69.03424	0.9
69.07072	11.0
71.00615	0.7
71.00958	1.0
71.08640	7.2
79.05501	5.4
80.05020	0.7
81.03452	0.9
81.07059	40.5
83.08627	3.3
89.98004	0.5
91.05484	4.9
93.07066	6.2
95.04965	5.1
95.08612	100.0
96.08948	1.6
105.07040	6.9
107.08598	6.4
108.02081	0.8
108.05730	0.6
109.06520	6.5
109.10160	79.3
110.10489	0.8
119.04871	0.7
121.06545	1.6
121.10168	1.4
122.07253	1.0
122.10949	1.0
123.04452	2.5
123.08067	8.2
123.11720	9.5
133.07573	1.0
133.10153	2.7
135.08069	3.7
136.08835	11.8
151.02789	1.4
151.03928	9.6
151.05850	1.1
151.07538	1.7
151.11189	88.1
151.14799	15.5
152.11534	1.8
162.87251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02376	1.3
53.03952	6.3
55.01876	3.1
55.05513	100.0
56.05844	1.2
57.03440	1.2
57.07085	2.1
59.05006	2.4
60.21710	0.7
65.03939	5.9
67.01892	0.7
67.05505	26.1
68.99800	1.5
69.03432	2.2
69.07074	2.8
71.04998	1.6
71.49503	1.1
73.07647	0.7
77.03944	1.7
79.01855	1.0
79.05490	11.2
80.05029	1.1
81.03437	2.0
81.05376	1.1
81.07056	38.2
83.05003	1.1
91.05481	13.4
93.07044	7.9
95.04970	23.5
95.06810	0.7
95.08607	11.2
97.06531	15.6
100.06117	0.6
103.05488	0.7
105.03413	2.2
105.04580	1.1
105.07034	13.2
106.06585	1.1
107.04993	1.6
107.08598	15.4
108.02119	4.6
108.04523	1.0
108.05789	0.9
108.09395	0.9
109.04848	2.2
109.06518	14.8
109.10158	22.3
110.07333	1.2
111.04510	1.2
119.04934	1.8
121.06513	1.4
121.10203	1.9
123.04435	29.1
123.08064	8.9
123.11705	10.8
124.07579	1.2
125.09650	0.9
131.08607	1.1
133.06514	1.5
133.10129	4.9
134.06079	2.5
136.08858	0.8
141.05478	1.7
144.08112	1.2
151.03943	38.2
151.05052	7.1
151.05965	3.8
151.07594	8.9
151.08708	1.9
151.11192	22.5
152.05853	0.7
152.07120	2.9
152.08255	1.1
152.10738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03937	1.9
55.01861	1.6
55.05510	3.4
56.96555	0.7
57.03442	0.6
57.07069	1.5
59.04992	1.4
60.40184	0.5
60.50328	0.5
65.03938	2.3
67.05506	13.2
69.03432	2.1
69.07064	2.3
70.12564	1.5
79.05496	6.6
81.03410	0.7
81.07058	22.4
83.05016	0.5
88.79290	0.5
91.05480	13.2
93.07050	7.2
95.04984	6.0
95.08613	10.6
97.06515	2.0
98.97510	0.6
103.05450	0.8
105.07034	13.7
107.04958	1.7
107.08601	7.7
108.02065	0.5
108.04477	0.6
108.05753	1.3
109.04868	0.8
109.05803	1.0
109.06522	16.1
109.09386	0.7
109.10162	13.8
119.04939	3.3
119.06062	0.9
120.71513	0.5
121.06508	1.7
121.10203	2.7
123.04440	3.9
123.08070	7.4
123.11713	7.1
123.52716	0.5
124.07606	0.6
131.08589	0.5
133.06534	0.7
133.10117	7.5
134.06023	0.8
136.05208	1.6
136.08832	2.8
151.02893	0.8
151.03958	7.9
151.05013	1.2
151.07582	8.7
151.11183	100.0
152.07002	0.7
152.11560	2.4
167.03255	0.5
167.15109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
51.02370	0.7
51.25848	0.5
53.03948	5.7
56.05024	0.9
65.03942	4.9
66.04263	0.8
67.05505	24.0
70.97626	1.2
72.93790	1.2
79.05495	3.8
80.05020	8.1
81.03416	5.2
84.04495	0.6
90.90405	1.2
90.94802	0.6
91.05488	8.9
93.05788	1.2
94.04225	0.8
94.06569	61.2
95.04956	3.1
95.06882	1.1
96.04500	1.7
103.05464	0.5
104.56001	4.0
105.06162	0.8
106.05857	0.9
106.06554	15.6
108.04478	15.5
109.02892	1.1
119.04939	4.2
119.07328	0.9
122.03221	1.8
122.06028	34.9
123.04440	0.9
127.07074	4.1
127.57135	0.6
132.05316	0.8
133.03156	0.5
136.05170	1.5
143.64955	0.5
148.03893	0.9
150.02797	6.5
150.05502	100.0
150.09151	1.9
151.03922	0.9
151.05853	2.3
151.07541	3.7
152.55777	0.5
154.02583	0.5
154.05530	0.5
168.06549	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01876	1.3
55.03131	0.8
55.05495	3.2
57.07058	1.7
58.55489	0.9
65.03941	46.5
67.05504	1.0
68.99756	1.0
69.07058	3.2
70.14749	2.8
73.04761	1.7
75.02683	1.9
77.03936	1.3
79.05485	13.1
80.02607	1.0
80.05011	3.0
81.07059	2.4
82.13953	1.0
89.03908	1.4
91.05472	15.6
93.03397	9.6
93.07042	17.6
95.04959	2.2
95.08637	1.2
98.03680	1.1
103.05454	3.0
105.07030	30.6
106.07847	1.6
107.08601	27.2
108.04504	5.9
109.06580	1.0
111.04469	4.7
119.06094	1.3
119.08581	8.9
120.89050	1.1
121.02866	58.2
121.03972	19.8
121.06468	2.3
121.10144	66.0
122.10477	1.2
123.08072	2.6
131.08586	1.6
133.07632	3.2
133.10133	2.3
134.10918	2.3
149.02345	100.0
149.09618	13.0
149.13269	8.2
150.02678	2.4
150.05513	3.4
151.02423	5.0
167.05563	2.7
169.03473	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03938	4.1
55.01865	2.6
55.05505	5.6
57.07059	1.7
58.96569	1.1
65.03941	57.2
66.04264	1.3
67.05486	1.3
69.07062	10.2
70.94021	1.5
70.94353	2.2
75.10007	1.1
79.05064	2.1
79.05488	20.9
80.02618	1.8
80.05035	2.7
81.07047	9.7
91.05482	26.5
93.03412	11.7
93.07043	44.4
95.04952	3.2
95.08620	3.0
98.03690	1.2
103.05463	1.9
103.85616	1.1
105.04527	2.0
105.07032	24.7
106.07829	1.3
107.04960	1.2
107.08597	47.9
108.04480	4.5
109.06514	2.5
111.04433	5.1
116.06303	2.4
119.06073	1.7
119.08605	5.8
120.09338	2.3
121.02864	53.0
121.03976	22.2
121.06506	5.2
121.10145	46.7
122.03168	1.7
122.10442	1.5
123.08004	2.0
131.08571	1.9
133.07602	2.3
133.10075	1.4
149.02341	100.0
149.09622	15.5
149.13263	14.6
150.02654	2.5
150.05501	4.3
158.66425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.39355	0.9
53.03939	3.7
55.05510	1.9
60.29390	0.9
62.69280	0.9
63.86216	0.9
65.03947	7.5
67.05473	1.1
67.75616	0.9
69.83244	5.3
69.83553	1.0
73.85977	0.9
77.03928	1.4
78.70871	0.9
79.05068	1.6
79.05498	20.4
81.07044	2.0
91.05486	19.3
93.03373	1.3
93.07046	36.6
95.04990	2.7
103.05475	5.2
105.04556	0.8
105.07033	25.4
105.07703	1.9
106.07813	4.1
107.08622	1.1
115.05500	1.0
116.06255	2.2
119.08569	5.4
121.02871	10.6
121.03965	3.4
121.04771	0.8
121.06484	1.3
121.10152	23.1
123.08068	2.3
131.08620	1.2
133.07620	2.2
134.07234	1.2
149.02348	17.5
149.09624	100.0
150.09944	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.22730	0.4
55.13689	0.4
62.95108	0.4
64.76615	0.4
65.03616	0.8
65.03945	12.7
65.16068	0.4
65.83405	0.4
70.78069	1.1
72.60305	0.4
78.27059	0.4
84.04507	0.7
91.05486	100.0
92.05838	2.4
92.11371	0.5
105.07047	0.7
119.04947	96.3
119.08582	1.9
120.05272	2.4
138.52141	0.5
147.04420	36.5
147.11694	0.8
148.04758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.81501	0.7
53.03939	3.4
55.01866	2.6
55.05513	1.0
61.90800	0.7
65.03945	48.5
68.99784	1.0
69.03431	1.1
69.96198	3.8
75.59397	0.7
76.52483	0.8
77.03919	0.8
79.05496	11.1
80.02625	1.4
80.05022	2.9
81.03449	0.8
81.07053	1.9
89.03924	1.8
91.05488	17.2
93.03412	10.8
93.06492	1.3
93.07052	18.3
95.04966	2.5
98.03663	2.2
103.05487	3.8
105.04527	1.3
105.07037	16.1
106.07811	1.9
107.04958	0.9
107.08586	3.3
108.04495	4.7
111.04452	5.3
116.06225	2.5
119.08606	4.1
121.02876	49.2
121.03983	18.9
121.06499	4.7
121.10149	12.7
123.08067	1.7
131.08592	2.9
133.07635	1.9
134.07281	1.1
149.02353	100.0
149.06018	1.9
149.09625	43.2
149.13275	0.9
150.02679	2.3
150.05504	3.3
160.94493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	N-METHYLISOLEUCINE
Peak:m/z	Relative Intensity
56.05037	0.6
58.06599	5.1
69.07071	13.7
70.06592	0.6
71.07374	3.4
71.42182	0.4
72.08163	3.4
72.08556	0.4
73.06538	0.3
80.05024	0.4
81.03412	0.5
82.06576	0.8
83.04986	0.5
84.04498	1.2
84.08127	0.7
86.06049	0.6
87.04429	0.4
91.05488	2.6
100.11258	100.0
101.11585	1.9
116.74323	0.4
118.06538	0.6
119.04958	1.5
128.04974	4.1
128.07018	0.4
145.74605	0.4
146.06012	7.6
146.11794	2.1
147.04373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.1
55.05507	0.4
56.05032	0.4
56.96572	0.1
57.03439	0.1
58.02985	0.1
58.06585	0.1
58.99581	0.1
66.48679	0.1
67.05503	0.1
68.05010	0.2
69.03423	0.2
69.07068	0.1
69.70167	0.3
70.06593	7.6
71.04988	0.3
80.04967	0.1
81.03393	0.1
81.07050	0.1
83.08607	0.1
84.04499	0.2
84.08143	3.2
85.02917	0.4
86.09698	0.2
86.85241	0.1
96.08137	0.3
98.06081	1.3
98.09692	100.0
99.04449	0.6
99.09369	0.1
99.10011	1.3
100.87554	0.1
126.05522	0.2
126.09175	0.1
143.16228	0.1
144.03789	0.1
144.06535	0.3
144.10196	19.1
145.10576	0.3
161.53564	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
56.00583	0.5
62.38921	0.6
67.15559	0.5
70.85013	0.8
70.85336	1.0
71.10950	0.6
72.08167	0.9
74.21514	0.5
74.86282	0.7
91.04906	1.3
91.05482	24.1
102.95585	0.5
117.05760	4.8
118.06544	100.0
119.04957	3.4
119.06869	1.9
123.71938	0.6
128.04971	1.4
142.93697	0.5
146.06017	12.7
147.04433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	(R)-2-Aminoheptanoic acid
Peak:m/z	Relative Intensity
55.05506	0.9
56.05018	0.8
58.06601	21.8
63.28135	0.4
69.03429	0.5
69.07075	1.1
70.12135	1.6
72.04530	0.6
72.08159	4.0
80.05032	0.7
81.03419	0.9
82.06568	1.9
83.04993	1.1
84.04507	2.6
84.08154	0.7
86.06068	0.9
91.05485	9.0
100.02213	0.8
100.07616	0.9
100.11259	100.0
101.11617	1.7
103.05476	1.0
110.06043	0.8
112.11252	1.0
116.53177	0.5
117.05758	1.6
118.06551	6.6
119.04947	2.6
128.04970	30.8
128.07047	0.9
128.41318	0.4
129.04515	0.8
129.05368	0.6
146.06015	47.4
146.11729	2.1
147.04379	1.1
147.06343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42649	0.2
63.70583	0.3
66.03438	0.3
67.08314	0.3
68.89781	0.3
70.85870	0.8
84.39152	0.3
89.03905	0.4
91.05490	3.5
93.82994	0.3
95.96324	0.3
103.05486	3.6
104.05000	0.4
115.05463	8.3
116.04951	0.7
116.06257	0.4
116.17348	0.3
117.05819	2.5
117.07025	21.6
118.06528	0.9
127.05462	1.3
128.04994	1.8
128.06210	0.8
135.11490	0.3
142.06503	0.7
143.07310	17.3
144.08090	100.0
144.23195	0.3
145.06511	2.4
145.08420	2.0
146.06030	0.6
155.06050	4.9
159.75133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
58.06599	3.5
58.23204	0.3
70.06592	7.3
70.15842	1.0
71.04988	0.4
73.88757	0.3
84.04493	0.4
84.07638	0.6
84.08144	9.8
87.02882	0.4
96.08161	0.5
98.06079	1.8
98.09693	100.0
98.31680	0.3
99.10014	1.6
102.05556	0.7
113.87244	0.3
136.88686	0.3
144.00771	0.3
144.10199	40.5
145.10583	0.8
154.14276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90075	15.1
73.46721	4.6
75.16681	5.1
79.16802	5.4
101.00885	47.8
118.16037	5.2
119.01922	100.0
137.02969	10.6
142.03479	19.9
142.04509	5.8
161.23778	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	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.79595	0.3
50.79829	0.3
51.42475	0.3
64.51849	0.3
69.51407	0.3
78.65292	0.3
89.03915	0.5
91.05489	4.4
103.05458	3.3
115.05457	8.6
116.04975	0.9
116.06268	0.6
117.05809	3.0
117.07021	22.5
118.06559	0.8
118.07339	0.7
127.05436	1.4
128.04985	1.7
128.06207	0.8
142.06526	0.9
143.06403	0.4
143.07304	18.0
144.08087	100.0
145.06509	2.3
145.08427	2.3
146.06020	1.0
155.06050	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	144.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
54.81323	0.3
58.50696	0.3
58.65836	0.3
69.35004	2.9
91.05490	3.4
103.05480	3.3
105.04493	0.4
115.05460	9.0
116.04992	0.4
117.05825	2.4
117.07021	22.4
118.06553	1.0
118.07366	0.7
121.47522	0.3
127.05399	1.7
128.04959	1.6
128.06247	0.9
129.05716	0.4
134.06026	0.4
142.06540	0.7
143.07307	18.2
144.08090	100.0
145.06519	2.3
145.08427	2.6
146.05951	0.6
155.06053	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	141.0183
Annotation	cis-4-Carboxymethylenebut-2-en-4-olide
Peak:m/z	Relative Intensity
53.03946	16.0
55.01862	2.6
55.05516	4.1
57.03425	3.3
59.04989	0.9
67.01855	2.3
67.05500	2.1
68.05012	1.3
69.03447	5.1
70.06601	1.4
70.61214	1.4
71.01350	0.9
71.04993	5.1
80.05015	0.8
81.03421	37.2
81.04510	3.2
82.05322	0.9
83.01328	2.3
83.05004	0.9
85.02911	4.0
85.06557	3.9
95.01335	100.0
95.04964	13.6
95.06088	3.4
96.01656	1.5
96.04495	1.6
97.02912	6.7
98.03683	6.4
98.20872	1.1
99.04456	2.5
109.02883	9.0
113.02374	8.6
113.06000	6.5
118.09829	0.9
122.99958	1.4
123.00803	19.4
123.04487	4.8
123.05508	5.2
124.01077	0.8
127.25642	0.8
141.01833	16.0
141.05452	10.0
141.06541	2.7
141.93822	1.0
142.12340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0658
Annotation	Dihydrourocanate
Peak:m/z	Relative Intensity
53.03949	10.0
54.03470	1.4
55.01855	1.4
55.05510	3.4
57.03435	1.1
64.69831	0.8
65.03934	1.2
66.90051	0.7
67.05511	1.0
68.05031	12.2
69.04551	1.6
69.28675	2.3
69.29100	4.5
70.06595	2.9
71.05001	3.1
71.12595	0.8
71.76563	0.7
80.02642	0.9
81.03434	25.7
81.04543	52.6
82.04271	1.3
82.04879	7.1
82.05318	35.3
82.06582	1.6
83.06112	3.8
85.06544	3.2
93.05329	1.4
95.05080	9.3
95.06094	82.1
95.06854	2.4
96.04504	1.3
97.02911	1.8
98.03669	4.0
101.60577	0.9
109.02898	4.3
111.05573	28.3
111.06316	1.6
112.05223	1.5
113.06025	5.3
123.05558	100.0
123.07496	2.6
124.05914	0.8
141.01852	1.1
141.05482	3.0
141.06549	58.1
141.08534	2.6
142.06990	1.0
142.08675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03941	0.5
57.69881	0.1
65.03947	1.2
67.05510	1.1
69.93333	0.6
77.35229	0.1
78.03460	1.1
79.04226	0.3
84.34204	0.1
92.05009	10.5
93.05775	0.9
94.06570	19.6
95.06924	0.2
96.04501	2.8
107.98032	0.1
110.06049	10.2
120.04465	0.2
136.03915	0.4
138.05505	100.0
139.05847	1.8
144.23111	0.1
154.04987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0915
Annotation	Tyramine
Peak:m/z	Relative Intensity
53.03948	2.7
55.01871	0.6
57.04457	0.4
61.11781	0.3
63.62122	0.3
65.03941	2.2
65.44323	0.3
66.54339	0.3
67.05506	2.2
68.60361	0.4
68.99812	0.4
70.54506	1.2
77.03935	0.7
78.03411	0.5
81.03442	0.4
82.06536	0.4
83.04993	0.8
90.73393	0.4
91.05482	8.7
91.06024	0.7
92.05015	3.5
93.03435	0.5
93.05781	0.4
93.07047	14.8
94.06577	6.4
95.04460	0.6
95.05007	2.7
96.04488	1.1
98.98470	0.5
103.05473	15.8
103.06161	0.9
105.04533	1.1
107.33451	0.4
110.06037	3.5
111.04433	2.0
120.04460	0.9
120.84724	0.5
121.06506	100.0
122.06843	1.7
123.04010	1.2
133.96617	0.4
138.01781	0.6
138.05499	31.8
138.09135	2.5
138.10187	0.8
139.03897	1.1
139.05862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03941	5.3
54.24899	0.8
55.01875	7.8
55.05497	3.2
56.96561	0.9
65.03938	24.6
67.01875	4.4
67.05507	6.8
68.99442	1.4
68.99786	14.7
69.03410	3.6
69.79527	4.7
71.01344	3.2
73.53220	0.9
83.04980	10.4
91.05451	0.8
93.03400	19.4
93.07022	1.1
95.04955	5.4
97.02892	3.5
98.97569	2.2
98.98453	4.6
99.00804	1.0
111.04438	39.1
116.98632	1.4
121.02872	4.4
121.03977	2.2
139.03899	100.0
139.12253	1.1
140.04263	1.3
141.95879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01876	6.9
55.05519	3.3
65.03941	17.1
67.01870	4.4
67.05505	8.3
68.99791	13.2
69.03426	3.1
70.64301	1.5
70.64633	0.8
71.01337	2.3
83.04978	7.9
90.20361	0.6
93.03405	14.2
95.04943	1.7
97.02882	2.3
98.97571	1.1
98.98461	0.8
99.00823	1.1
104.93505	0.6
111.04443	29.8
112.04752	0.9
121.02866	2.2
121.03954	0.6
121.18336	0.5
132.75043	0.6
139.03903	100.0
140.04265	1.6
140.22275	0.6
144.94434	0.5
147.50960	0.6
156.74495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03947	3.8
55.01874	7.7
55.05517	3.3
64.47976	0.6
65.03616	1.1
65.03944	16.8
67.01859	5.3
67.05510	8.2
68.99790	14.9
69.03438	2.9
69.17829	0.5
69.61044	1.6
69.61467	2.3
71.01348	2.5
79.72489	0.7
83.04988	8.6
93.03413	12.8
95.04971	2.8
97.02902	3.3
97.06536	0.5
99.00803	0.8
111.04448	29.4
121.02872	1.9
121.03979	1.4
123.48917	0.6
131.81183	0.6
139.03908	100.0
140.04253	1.6
150.41592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.92516	0.4
51.02376	0.5
53.03953	2.7
55.01875	0.7
55.05513	2.1
57.07079	0.7
63.73209	0.3
65.03941	1.4
65.39065	0.3
66.04720	0.8
67.05506	25.6
69.03432	1.2
69.07052	0.9
70.62790	0.6
77.03926	0.7
78.04692	0.5
79.05495	4.8
81.03416	0.8
81.07056	10.9
83.04995	0.4
91.05481	14.3
92.05042	0.5
93.07052	5.2
94.04187	5.9
94.06566	0.6
94.07825	1.5
95.04961	2.9
95.08604	8.4
103.05473	1.4
104.06236	1.4
105.04516	1.1
105.07055	0.6
107.04956	24.5
107.08590	2.5
109.06519	1.5
109.10158	31.7
110.06058	0.4
110.10506	0.5
115.05412	0.4
117.07029	1.9
119.08577	15.0
121.06504	9.8
122.03661	9.5
122.07285	100.0
123.07624	1.8
135.08058	4.8
137.02469	0.7
137.05988	11.4
137.09618	80.4
138.05490	3.2
138.09938	1.9
138.15685	0.3
149.07114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.15488	1.5
51.02377	2.4
53.03947	10.8
55.01856	5.1
55.05513	9.8
57.03430	2.0
57.07063	1.7
65.03942	8.8
66.04699	6.0
67.05508	80.2
69.03423	6.7
69.04424	1.6
69.07066	4.1
69.19926	1.7
71.49434	2.5
74.75288	1.6
77.03926	1.4
79.05496	24.4
81.03426	18.4
81.03880	2.5
81.07060	42.4
82.06602	2.0
83.04990	3.2
91.05482	52.1
92.04996	5.3
92.05795	2.5
93.07040	16.2
94.03621	2.4
94.04194	44.0
94.06567	8.1
94.07812	3.1
95.04984	18.5
95.08608	28.9
96.04505	2.1
103.05492	2.3
105.04514	2.6
107.04951	25.4
107.08596	5.4
108.05728	2.3
109.02884	5.2
109.06522	51.7
109.10159	49.1
110.01475	1.7
110.06079	7.7
110.06718	1.5
117.07024	4.0
119.04948	5.8
119.06053	3.5
119.08590	17.3
120.04511	1.6
120.84828	1.5
121.06527	10.0
122.03654	54.9
122.07290	86.8
135.08041	3.1
137.02385	27.5
137.03497	10.5
137.05974	84.7
137.09618	100.0
137.13222	2.4
138.05502	49.8
138.06543	3.2
138.09122	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83637	0.5
51.02383	0.6
51.24229	0.5
53.03945	3.4
55.01880	1.2
55.05520	2.3
56.12471	0.5
57.07080	0.8
60.59282	0.6
65.03948	2.7
66.04717	3.5
67.05505	31.2
69.03442	2.1
69.07076	1.2
70.74893	1.8
77.03884	0.9
79.05492	8.0
81.03429	2.2
81.07056	17.4
82.01879	0.6
91.05484	20.9
92.05002	1.2
92.05827	0.7
93.07052	7.5
94.04188	22.4
94.06570	3.0
94.07832	2.0
95.04479	0.7
95.04990	4.5
95.08612	15.0
96.04506	1.2
103.05481	2.5
104.06268	1.1
105.04528	1.6
107.04960	24.0
107.08598	1.8
109.06535	3.9
109.10155	35.3
110.06059	1.9
110.10513	0.9
115.05428	0.7
117.07030	1.7
119.04973	1.4
119.08576	14.8
120.04503	0.7
121.06501	9.4
122.02756	1.3
122.03658	30.8
122.07288	100.0
123.03976	1.0
123.07627	1.5
123.78972	0.6
133.26886	0.7
135.08051	3.8
137.02499	5.4
137.05977	46.1
137.09618	81.3
138.05495	11.6
138.06500	0.7
138.09085	0.7
138.10019	1.2
146.99522	0.6
150.10901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.10378	0.7
53.03936	2.4
55.01860	1.7
55.05504	1.3
65.03937	4.1
65.82150	0.6
66.04725	7.5
67.05504	8.8
69.03418	1.0
69.07062	0.9
71.49530	0.8
77.03924	1.0
79.05489	8.1
81.03404	2.2
81.07057	14.6
82.06573	0.8
89.87578	0.6
91.05480	15.2
93.07068	4.5
94.04186	53.5
94.06567	1.3
95.04967	3.9
95.08603	12.9
96.04432	0.6
107.04950	2.1
109.06524	4.4
109.10131	2.2
110.06019	1.6
116.14629	0.7
119.04927	1.9
119.08527	1.6
120.03857	0.8
122.03651	70.8
122.07250	1.5
123.03958	1.0
129.11485	0.9
134.77885	0.7
135.04372	0.9
137.02525	8.7
137.05965	100.0
137.09618	9.2
138.01755	1.2
138.05473	5.5
138.06403	1.9
138.09113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01875	4.2
55.05516	8.5
57.07069	2.6
65.03939	6.7
66.04717	2.5
67.05505	71.5
69.03429	4.8
69.07058	5.0
69.44054	4.1
69.44473	2.6
77.03935	1.8
79.05499	14.3
81.03412	6.4
81.06593	1.8
81.07059	33.1
83.04976	2.1
91.05482	40.2
92.91338	0.8
93.07054	11.2
94.04189	21.4
94.06527	2.2
94.07840	1.6
95.04970	13.8
95.08609	26.8
103.05473	2.1
104.06244	2.0
105.04524	2.1
105.07076	1.7
107.04955	27.4
107.08575	5.9
108.05753	1.5
109.06517	40.6
109.10159	52.2
110.06030	2.9
110.80967	0.9
117.07002	5.6
119.04964	1.8
119.06061	2.8
119.08585	23.2
119.09463	1.2
121.06505	7.3
122.03660	23.7
122.07291	100.0
123.07635	1.6
135.08073	5.6
137.02386	5.8
137.03485	3.0
137.05971	36.7
137.09619	98.7
138.05493	14.9
138.06438	1.5
138.10016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03934	1.6
63.81660	0.7
65.03925	2.5
66.04723	8.0
69.98112	3.5
77.03921	1.1
79.05489	4.9
81.07064	1.8
91.05491	3.7
94.04190	49.1
95.04989	0.8
107.04951	2.1
109.06535	0.8
122.03656	72.2
133.84090	0.8
135.04442	1.3
137.05984	100.0
138.06294	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	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02369	0.7
53.03942	1.5
55.01867	1.1
55.05503	0.7
65.03938	1.6
66.04388	0.5
66.04722	6.6
67.05501	2.7
69.07096	0.4
70.74906	0.8
70.75238	0.6
77.03922	1.1
79.05490	5.8
81.03387	0.8
81.07056	4.0
91.05478	7.5
93.03391	0.7
93.07026	1.0
94.04184	52.7
94.06553	0.9
95.04465	0.6
95.05026	0.8
95.08605	2.4
98.36203	0.5
105.03377	1.0
105.04511	0.8
107.04955	2.1
109.06506	1.5
109.10170	1.4
110.95225	0.4
119.04912	0.9
119.08574	1.0
121.06471	0.6
122.03646	73.1
122.07256	2.9
123.04005	1.5
131.44667	0.4
135.04413	0.9
137.05972	100.0
137.09563	3.4
138.05403	2.7
138.06340	1.4
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
51.02377	1.1
51.43881	0.6
53.03934	2.6
53.95835	0.5
55.01867	0.9
55.05504	0.6
57.08626	0.6
65.03944	3.0
66.04448	0.6
66.04732	7.1
66.56911	0.5
66.89958	0.5
67.05511	4.7
70.39796	0.6
70.40135	2.1
77.03921	1.3
79.05502	6.0
81.03429	2.8
81.07066	6.2
91.05481	8.2
92.05016	1.3
93.07040	2.0
94.04190	54.9
94.06567	1.7
95.04960	1.8
95.08602	5.5
105.04486	0.9
107.04969	2.3
109.06519	2.8
109.10172	1.4
110.06065	1.1
119.04957	0.7
120.04500	0.7
122.03654	66.5
122.07275	1.1
123.03987	0.9
135.04449	0.8
137.02495	3.9
137.05984	100.0
137.09517	2.8
137.13245	1.2
138.05458	6.8
138.06361	1.9
138.09122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.40880	2.6
53.03933	12.1
55.05511	13.7
65.03922	3.8
67.05506	29.8
69.07060	8.2
69.22800	12.0
69.23227	10.5
70.09261	2.2
74.34400	3.0
79.05491	89.9
80.05017	4.4
81.07049	24.8
82.96591	2.2
89.03893	6.0
91.05479	76.8
92.04987	2.9
93.07047	100.0
95.04958	9.1
98.20793	4.2
105.04507	5.5
105.07040	20.3
107.04966	19.3
107.07883	5.5
107.08595	94.0
109.01099	5.0
109.06510	5.3
115.05444	9.3
117.07008	7.2
118.06535	3.8
119.03561	7.4
119.06048	6.1
119.08565	11.7
135.04401	21.1
135.05507	6.3
135.06477	4.0
135.08067	34.6
135.09071	3.5
135.11693	53.5
136.02164	68.9
136.03860	4.9
136.06174	54.0
136.07463	5.1
136.11174	2.5
137.04643	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02393	0.5
53.03950	1.8
55.01875	1.5
65.03941	1.8
66.04723	7.3
66.71499	0.4
67.05508	2.5
69.88935	1.5
70.46899	0.4
77.03936	1.1
79.05497	5.3
81.03426	0.9
81.07066	4.7
91.05480	7.3
93.07044	0.8
94.04188	52.9
94.06563	0.7
95.04446	0.6
95.04974	1.8
95.08610	1.2
98.21496	0.8
105.03420	0.8
107.04962	2.3
109.02949	0.6
109.06525	1.8
112.45628	0.4
114.44417	0.4
119.04951	0.9
122.03651	70.4
122.07278	1.1
123.03993	1.1
135.04437	0.5
137.02596	2.2
137.05977	100.0
137.09547	1.1
138.05473	1.1
138.06334	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.0
55.01865	4.0
55.05509	7.1
57.07066	2.3
65.03939	3.1
67.05502	3.7
69.07059	2.4
69.97498	4.8
72.64784	1.2
74.83253	1.1
77.03934	1.5
79.05072	2.3
79.05496	27.8
81.07059	3.6
89.03919	1.8
89.06754	1.5
91.05482	61.0
93.07042	48.8
95.04971	7.3
103.05457	2.0
105.04520	2.0
105.07035	28.8
107.04957	3.7
107.08590	100.0
108.08895	1.2
109.06511	5.2
115.05466	2.5
117.07021	4.7
119.06081	5.4
119.08584	22.9
120.09396	8.1
135.04417	3.9
135.08043	5.1
135.11688	33.8
136.02126	6.9
136.06212	4.8
137.09573	1.3
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	o-Cymol
Peak:m/z	Relative Intensity
51.02368	1.2
53.03950	9.0
55.01868	3.2
55.05511	9.7
55.11784	1.3
57.78712	1.1
64.38349	1.1
65.03944	5.7
65.55185	1.1
67.05498	5.7
69.03403	1.5
69.07065	3.8
70.61124	1.3
70.61459	3.0
77.03919	1.2
79.05493	46.6
80.05022	2.2
81.03429	1.4
81.07044	4.5
89.03928	12.4
91.05482	69.7
92.05780	1.5
93.07044	59.1
93.07639	2.9
95.04985	9.6
95.08601	1.8
98.21460	1.3
103.05459	2.4
104.06258	1.4
105.04536	6.1
105.06335	1.2
105.07039	30.1
107.04954	16.9
107.08591	100.0
108.04417	1.2
108.08896	1.9
109.01120	1.4
109.06528	6.1
112.13137	1.2
115.05475	5.2
117.03400	3.9
117.07026	6.2
119.03569	1.7
119.06065	7.1
119.08585	22.6
120.09375	7.2
133.10143	1.3
135.04436	18.7
135.05450	2.6
135.08060	25.9
135.10709	2.2
135.11688	31.1
136.02164	24.8
136.03848	1.4
136.05144	1.8
136.06163	15.7
136.07585	3.7
137.04599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02379	1.3
53.03941	5.1
55.05504	4.4
56.36514	1.1
57.07075	1.4
59.99587	1.1
65.03938	2.7
67.05484	2.2
68.57962	1.3
69.07083	1.7
69.40067	4.6
69.40494	5.7
77.03928	1.8
79.05498	18.1
81.07050	1.4
91.05487	46.8
93.07044	43.4
95.04967	4.6
105.04517	2.4
105.07041	25.6
106.04153	1.6
107.08599	100.0
108.08907	2.0
109.06532	4.5
115.05431	1.4
117.07005	2.6
119.06057	4.6
119.08600	23.3
119.09462	1.5
120.09352	6.8
120.45090	1.5
127.93265	1.4
135.10703	2.9
135.11697	35.4
136.11986	1.4
145.61754	1.3
147.09146	1.3
147.49635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93595	0.5
53.03941	1.9
53.96675	0.6
55.01859	1.4
59.97673	0.6
65.03931	1.3
70.61147	0.8
70.61477	0.9
74.64142	0.5
76.03125	1.0
77.03934	1.0
78.04697	0.6
79.05074	0.7
79.05499	8.7
80.05014	1.3
82.80590	0.6
84.54443	0.7
86.54198	3.3
89.03919	15.2
89.54114	1.2
90.04199	0.6
90.04702	15.9
90.54423	1.5
90.54915	1.2
91.04942	0.7
91.05477	5.4
93.07050	1.4
94.02887	0.6
94.04059	2.0
94.53540	1.3
95.04966	2.1
97.55244	1.3
98.54189	0.7
98.55995	0.9
102.54446	1.0
103.03660	0.9
103.04839	2.7
103.55230	3.3
104.04440	6.8
104.05545	1.5
104.54169	0.9
105.04577	7.2
105.07030	0.9
105.54814	0.7
106.06540	0.6
107.04228	0.6
107.04960	11.2
107.08627	2.6
109.01129	0.6
111.54976	12.7
112.05187	1.8
112.55753	100.0
113.05927	13.1
117.03384	3.8
117.05757	1.2
117.54944	3.4
118.05156	1.1
118.06537	3.1
119.03558	4.9
126.06245	0.8
126.55467	2.0
128.06166	1.0
130.31104	0.5
133.07054	2.2
134.06026	1.8
135.04448	10.4
135.05484	0.8
135.06680	1.9
135.08121	1.1
136.02180	5.0
136.06186	43.0
137.04611	2.4
141.07039	0.6
152.06239	0.8
153.07025	2.7
154.07751	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03948	7.2
55.01873	16.1
55.05498	4.0
63.75755	0.8
65.03942	10.2
67.05507	7.3
69.03425	12.3
69.07043	1.7
71.05089	1.6
74.19154	0.8
79.05492	54.6
80.05032	1.6
80.05811	1.1
81.03398	1.1
81.07054	2.1
89.03921	2.8
91.05479	100.0
92.05775	1.4
92.06262	2.4
93.07043	21.7
94.02927	1.0
94.04072	1.1
95.04966	10.1
105.04523	4.3
105.07028	33.6
107.04950	12.2
107.06077	1.1
107.08592	61.3
109.01112	1.3
109.06507	9.6
115.05457	27.9
117.07022	18.9
119.03522	1.6
119.06072	11.0
119.08580	4.1
120.05715	2.0
120.09362	1.1
120.25874	0.9
124.05199	1.2
135.04413	6.7
135.05534	3.5
135.06490	2.1
135.08058	40.2
135.11678	7.4
136.02159	25.8
136.03821	1.4
136.06181	16.7
136.07530	2.1
137.04585	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	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.46545	0.8
50.97205	0.8
51.02365	0.9
53.03949	4.9
55.20681	0.8
63.02371	4.9
70.62670	2.6
77.03933	2.0
79.05497	12.5
89.03923	100.0
91.05499	1.4
91.20570	0.8
95.04963	3.9
105.04517	3.3
107.04961	15.7
107.08618	1.4
117.03388	35.0
118.03746	1.2
123.95548	0.9
135.04424	59.8
136.06226	1.4
145.03940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05820	0.7
53.03942	1.4
55.01867	1.5
56.76533	0.7
56.96566	9.4
57.03439	10.1
58.99857	2.1
59.37760	0.7
68.00372	1.6
68.02641	1.2
69.03423	4.5
69.89362	3.9
70.06606	0.8
70.50648	3.2
71.50533	1.3
73.02141	0.7
73.02911	3.2
77.00908	1.4
77.52165	1.0
78.52935	2.6
79.05502	1.6
79.51174	23.5
80.01205	6.9
80.51059	3.2
81.03452	4.3
82.01440	5.5
82.02637	0.9
82.43761	0.7
82.99802	1.0
84.52951	1.5
85.01363	1.2
85.02909	3.0
85.53729	1.8
86.03687	1.9
86.52682	3.2
88.02690	4.9
88.51697	64.5
89.01737	15.3
89.51563	13.0
90.52935	1.3
91.01955	3.7
91.05504	1.5
91.51965	2.0
91.53709	0.9
92.01825	1.6
93.01900	1.4
93.53494	2.5
94.99890	0.8
95.53226	1.0
97.52237	4.2
98.21376	0.8
98.97615	3.9
99.53482	2.1
100.00109	1.3
100.02484	24.3
100.52519	2.8
101.00218	0.9
101.00880	12.8
101.02472	3.0
101.47922	1.3
102.00983	2.8
102.02319	2.8
102.96838	0.7
103.00616	3.0
103.02435	1.1
103.99339	0.8
104.52693	1.1
106.06514	1.3
107.04906	1.1
107.98185	5.3
108.48222	1.6
108.98063	1.0
109.02875	2.0
110.48412	1.1
111.02932	4.1
111.03661	1.5
113.00869	2.4
115.01166	0.7
115.02424	3.0
116.98694	13.7
117.48743	3.0
117.98633	2.6
118.01151	2.5
118.03510	6.1
119.01919	31.8
119.48967	14.3
119.97317	3.4
119.99046	4.1
120.02016	8.5
120.03320	0.9
120.04189	1.3
120.48847	2.7
121.01662	9.4
122.53712	2.6
124.02444	4.0
125.02431	1.4
125.99222	25.1
126.49265	6.5
126.99109	5.3
128.49492	76.5
128.97923	4.8
128.99533	25.0
129.02148	0.8
129.03964	2.1
129.49347	23.1
129.99336	1.0
130.99738	2.5
131.01906	9.2
132.01984	1.0
133.03476	2.4
134.04791	1.0
134.06020	2.7
134.07109	1.5
134.99664	0.9
135.03183	0.9
137.02960	7.3
137.50014	100.0
137.98367	1.8
138.00053	29.9
138.03046	2.5
138.49875	26.5
139.00092	1.2
139.02650	2.2
140.00282	7.7
140.50346	3.1
141.00163	3.1
141.02721	3.1
142.03500	17.1
143.01897	1.5
143.03603	6.8
143.92303	0.7
144.03230	5.2
145.03490	2.2
147.05034	2.1
149.00845	5.5
149.50868	2.5
150.00684	2.3
154.03471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02390	0.3
51.90796	0.2
53.03939	0.4
55.05505	1.1
57.28597	0.2
65.03939	2.3
67.05502	0.3
69.28846	2.4
70.69017	0.3
71.41191	0.3
78.04694	1.2
79.05495	2.6
91.05480	100.0
92.05822	1.5
93.07018	0.5
95.05006	0.3
97.61284	0.3
103.05460	2.1
103.28150	0.2
104.06247	16.0
105.07031	20.8
106.07336	0.3
115.05428	0.6
117.07012	0.9
118.07822	0.7
131.08591	1.7
133.07608	0.3
133.10133	11.7
147.84653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.05518	3.2
55.18066	0.7
55.21383	0.8
60.69800	0.8
67.05508	1.2
70.62054	2.2
74.02419	0.7
77.03930	1.1
79.05493	11.8
91.05479	37.0
93.07047	6.4
95.04960	2.1
100.38954	0.6
103.05460	6.5
105.07031	96.1
106.07369	1.9
107.08593	2.2
115.05457	11.4
116.06254	2.2
117.07014	11.9
118.06109	3.7
118.07012	1.2
118.07804	11.9
119.08119	0.8
123.07944	0.9
129.07016	0.8
131.08580	16.4
133.06480	2.5
133.08452	6.8
133.10129	100.0
134.10460	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03946	2.8
55.05518	3.1
65.03942	0.4
67.05508	1.1
68.27378	0.4
69.55253	0.3
70.13493	0.3
70.62028	1.0
74.02438	0.6
77.03927	1.2
79.05500	9.7
79.05967	0.6
80.37350	0.4
91.05486	27.6
92.06291	0.7
93.07046	6.0
95.04981	1.5
103.05470	4.9
105.04544	1.0
105.07037	68.1
105.57043	0.3
106.07365	1.1
107.08606	2.1
112.02186	0.5
115.05460	8.2
116.06232	1.3
117.06239	0.7
117.07028	10.2
118.07804	9.8
123.07984	0.6
129.07007	1.0
131.08585	9.1
133.06604	2.4
133.10138	100.0
134.10464	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.7
55.05504	2.7
62.05507	0.8
65.03931	0.9
67.05496	0.8
77.03891	1.0
79.05492	8.0
83.70779	0.7
84.60160	0.7
85.41238	0.7
91.05486	27.0
93.07059	6.9
95.04962	2.2
103.05457	5.6
105.07032	67.9
107.08626	1.3
112.02196	0.9
115.05473	9.3
116.06240	1.9
117.07017	12.2
118.07806	10.0
123.07912	1.2
131.08551	9.8
133.02809	0.9
133.06476	3.2
133.10133	100.0
134.10432	2.4
135.00890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02378	0.3
53.03945	1.8
54.02645	0.3
55.05517	2.4
65.03933	0.7
67.05503	0.7
70.83974	0.7
77.03912	0.3
78.04720	0.3
78.22388	0.3
79.05493	8.5
82.06340	0.3
91.05481	21.8
92.05782	0.4
93.07036	6.2
95.04958	1.6
98.91528	0.3
103.05473	3.6
105.07030	53.8
106.07343	1.1
107.08611	1.5
115.04807	0.2
115.05450	7.1
116.06302	1.7
117.07014	9.8
118.07803	9.8
118.08456	0.2
118.08677	0.3
123.08016	0.3
129.06966	0.4
131.08574	8.1
133.10129	100.0
134.10432	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.50034	0.4
52.16030	0.5
53.03944	2.3
55.05516	3.3
67.05515	0.7
67.38321	0.6
69.41186	4.4
74.02464	1.0
77.03918	0.8
79.05495	9.8
91.05483	34.0
92.06252	0.6
93.07050	5.7
95.04973	2.0
103.05474	5.5
105.07031	86.1
106.07363	2.0
107.08595	1.9
108.72264	0.6
115.05452	8.4
116.05698	1.4
116.46019	0.5
117.07013	9.6
118.06113	4.2
118.07809	9.8
131.06967	0.7
131.08574	11.3
133.06555	3.9
133.08449	9.0
133.10132	100.0
134.10452	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
59.73143	0.6
60.04527	0.9
61.01146	3.0
65.03455	0.7
69.05407	0.7
70.02956	8.0
70.06602	2.4
71.04977	1.5
71.22102	1.4
74.02443	100.0
79.97354	0.7
84.08155	0.9
85.08495	2.3
86.06066	0.7
87.02695	3.0
87.05593	28.5
87.06436	1.8
87.10017	0.8
88.03997	10.9
88.07631	1.4
105.07045	1.2
116.03458	7.4
133.03214	0.9
133.06079	3.2
133.07550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39902	0.4
54.04534	0.4
55.01873	1.0
55.70280	0.4
56.05040	0.7
58.06344	0.4
58.06579	2.1
60.04521	1.7
61.67844	0.4
68.05052	0.7
69.05343	2.0
69.99597	0.5
70.02957	7.4
70.06595	15.7
70.18384	1.7
71.05002	6.8
72.08154	7.5
74.02444	100.0
81.03428	0.5
86.06049	2.0
87.05595	29.7
87.06381	5.2
88.03996	10.3
88.07629	7.2
90.09196	5.1
98.02431	0.9
98.06062	3.1
99.00816	0.8
99.04456	0.6
103.26198	0.5
116.03470	8.1
116.07115	2.5
123.07950	0.7
125.04758	0.7
131.77609	0.4
133.06111	2.9
133.06862	0.6
133.10567	0.8
134.08150	1.0
134.11771	15.8
136.62979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.3
55.05497	0.3
56.05035	5.8
56.68271	0.3
57.07074	15.5
60.05639	0.4
63.46029	0.3
67.05502	0.5
69.03428	7.1
69.07071	1.1
69.82416	1.8
70.06592	2.3
71.04994	1.3
72.08161	0.4
74.09716	10.4
82.06594	0.8
84.04505	29.7
84.08141	100.0
85.04816	0.5
85.08457	1.7
98.20849	0.4
103.05474	1.6
112.07604	15.0
113.07899	0.5
130.04997	1.6
130.06529	15.3
130.08633	12.7
130.09634	0.8
130.15916	19.8
131.06818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03964	0.7
70.73981	1.7
79.05484	1.7
79.75839	0.5
86.06069	0.8
86.09720	1.3
87.88776	0.6
90.90376	2.2
91.05494	3.4
93.05780	0.8
95.04962	0.9
103.05467	1.3
104.04997	1.3
105.07034	9.8
106.06549	0.7
115.05457	18.9
117.05766	57.8
118.06093	1.6
130.06511	6.6
131.07315	5.9
132.04468	1.9
132.08095	100.0
133.06483	1.9
133.08424	2.0
143.06053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.02739	0.7
62.21244	0.7
69.07057	2.1
70.70184	0.8
70.70504	1.2
74.02429	0.8
86.09708	100.0
87.10027	1.1
96.47596	0.6
104.05011	1.7
118.60359	0.6
125.44487	0.7
132.04501	1.9
132.10263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01864	0.9
55.05512	32.0
56.05037	5.3
56.48901	0.4
57.03424	0.9
58.06596	0.6
59.49775	0.5
65.03944	0.9
66.04745	0.5
67.05501	0.8
67.20504	0.4
69.03433	5.5
69.62022	2.0
70.02958	0.6
70.06592	6.9
71.01334	0.6
71.04976	1.1
71.13713	0.5
72.08155	0.4
79.05496	12.4
80.05023	4.0
81.03421	6.5
81.07056	37.1
82.06580	1.0
83.04964	0.7
83.07365	1.3
83.08622	10.6
84.04501	2.0
84.08140	2.7
86.16935	0.4
91.05490	3.5
93.05785	4.3
96.04493	5.4
96.08105	0.5
97.05276	23.8
98.06062	15.2
98.09691	12.0
99.04433	0.6
107.92847	0.4
108.04480	1.8
108.08121	19.0
109.02886	4.9
109.06516	32.8
110.06051	0.6
111.06818	1.7
121.01683	0.7
126.05564	2.6
126.09155	100.0
127.03908	4.6
127.09462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02370	1.2
53.00306	0.8
53.03949	30.1
55.01873	4.7
55.05516	1.0
57.03437	6.1
67.01861	1.2
68.02642	1.9
69.03082	1.3
69.03433	12.0
69.85454	1.5
69.85867	2.8
71.00976	1.2
71.01358	15.2
71.04993	16.3
81.03422	100.0
82.02952	1.7
82.06573	3.1
83.01337	1.1
83.04996	1.1
84.02136	1.2
85.02909	3.6
97.02908	1.0
98.03699	1.6
99.04458	8.3
104.55998	0.9
109.02885	79.4
110.03218	1.2
127.03930	33.7
127.04927	2.2
128.07098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.05516	0.3
56.05034	3.7
63.04580	0.1
67.05500	0.3
70.06606	0.3
70.06931	0.1
71.28354	0.1
77.67978	0.1
78.80379	0.1
82.06580	0.1
83.64094	0.1
84.04521	0.5
84.08141	100.0
85.07905	0.1
85.08463	1.1
112.07594	0.3
117.23649	0.1
118.52297	0.1
121.11586	0.1
130.08638	10.9
131.08992	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	125.0599
Annotation	Orcinol
Peak:m/z	Relative Intensity
53.03942	5.0
55.01876	3.2
55.05503	4.4
57.03423	1.7
57.88247	1.0
65.03934	1.4
67.05508	1.2
69.03437	5.3
69.07076	3.5
71.01357	19.6
74.75941	1.0
79.05499	14.6
80.05022	3.0
81.03410	2.3
81.07052	3.1
82.06573	1.2
83.04989	6.8
91.05491	2.7
95.04964	3.8
96.51466	0.9
97.02902	22.4
97.04821	2.3
97.06536	100.0
98.06868	1.5
100.90373	1.0
102.02236	2.3
105.04543	1.4
107.04956	8.5
107.08632	4.8
107.09250	1.0
108.04461	2.1
113.04271	1.2
125.02374	7.2
125.04340	3.8
125.06001	90.8
125.09618	8.4
126.05526	2.7
126.06378	2.3
126.09133	2.2
129.33144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03953	8.7
54.03463	1.8
54.04287	1.1
55.01854	2.0
55.05509	5.8
65.03943	6.3
66.76959	0.9
67.04234	1.3
67.05507	2.6
68.05032	7.1
68.05845	2.5
68.99795	1.2
69.03431	4.9
69.04563	1.5
69.07068	1.7
69.29043	0.8
70.97764	1.0
71.48773	1.4
73.17619	0.8
78.03454	4.0
78.04257	1.0
79.01851	1.1
79.05496	58.4
80.05017	18.9
80.05808	1.7
81.03411	3.2
81.03839	1.1
81.05412	1.5
81.05801	35.1
81.07059	40.4
82.06583	51.7
82.07316	6.5
83.04992	1.6
94.06571	8.8
95.04967	3.8
96.04501	41.1
96.05235	2.2
96.05689	2.6
96.08133	57.8
97.02892	8.5
97.04015	1.1
97.06528	2.2
101.00888	8.7
101.02580	1.6
102.74007	0.9
105.04557	2.1
106.03732	1.3
106.04922	1.0
106.06554	15.8
107.04965	5.7
107.08556	1.3
109.05273	6.3
112.03972	16.7
119.01925	29.5
119.03670	1.3
124.03967	78.2
124.04841	9.3
124.05947	4.7
124.07594	100.0
124.12065	2.3
125.02374	1.6
125.04331	1.5
125.06001	1.7
125.09668	2.6
137.02962	9.8
140.03423	8.6
142.03539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
51.02391	0.4
53.03935	1.0
54.03451	0.7
55.01867	0.5
55.05499	1.0
60.73019	0.4
64.27238	0.4
65.03943	3.7
67.05477	1.1
68.05044	2.2
68.05820	0.8
69.03410	1.3
69.04520	1.1
71.49380	0.5
78.03451	3.1
78.04233	0.7
79.05147	0.4
79.05499	3.8
80.04580	0.5
80.05025	7.8
81.04515	0.4
81.05360	0.8
81.05792	3.1
81.07043	1.4
82.02961	0.6
82.06564	1.2
82.07370	1.4
83.04980	0.5
83.06075	0.5
92.05011	8.2
93.05779	1.2
94.02917	0.9
94.06557	0.6
95.04987	0.7
96.04497	29.4
96.05557	1.9
96.08140	3.4
96.08757	0.4
96.08943	0.4
97.02892	3.8
97.04121	0.4
97.06559	0.8
101.00900	1.8
106.06551	1.4
106.35218	0.5
107.04979	0.8
107.08615	0.7
108.04488	0.9
109.05267	100.0
110.05573	0.8
112.03969	9.9
119.01923	7.7
124.03970	44.6
124.04844	5.2
124.05929	1.8
124.07597	40.7
124.72969	0.5
125.02391	0.8
125.06013	1.1
125.07091	0.5
125.07947	0.6
125.09646	0.9
129.85318	0.4
137.02997	1.8
140.03433	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03946	2.2
55.01876	0.5
55.05510	4.8
57.07075	3.5
65.03947	1.2
67.05504	18.9
69.07059	2.0
71.49248	0.3
78.03466	0.6
79.05493	17.4
80.05016	5.3
80.05779	0.3
81.03434	0.4
81.07055	100.0
82.01442	0.8
82.07393	0.9
91.05470	0.4
93.07047	2.2
94.07814	0.7
95.04978	4.7
95.08605	13.1
96.04498	3.5
100.02492	1.9
105.04539	0.3
105.07011	1.2
106.02905	0.4
108.05726	0.8
108.09357	0.5
112.03963	0.6
118.03500	0.9
119.01915	0.3
121.10145	0.9
123.04433	2.1
123.05544	11.8
123.08075	6.5
123.09105	0.6
123.11707	14.1
124.03968	3.3
124.07610	0.4
140.03439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	0.3
62.96384	0.2
71.18553	0.5
82.01450	0.7
82.99842	8.8
83.01527	0.9
83.14543	0.2
100.02474	0.5
101.00883	59.7
101.02544	1.6
102.01007	0.9
111.00412	0.7
119.01923	100.0
120.02049	1.3
120.03218	0.2
121.02290	0.4
124.02483	0.8
127.78444	0.2
137.02957	15.0
138.03029	0.4
142.03497	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03949	4.0
55.01878	0.8
55.05509	5.3
57.07067	3.6
57.79625	0.3
65.03946	1.7
67.05502	20.9
69.07075	2.2
73.34245	0.4
77.03933	1.6
78.03467	0.9
79.05492	19.7
80.05017	12.6
80.05750	0.5
81.03432	0.7
81.07053	100.0
82.01444	2.1
82.07407	0.9
91.68238	0.5
93.07024	3.0
94.07822	0.6
95.04965	10.0
95.05569	0.5
95.08605	14.5
96.04488	8.9
96.08114	0.7
100.02486	6.0
105.03392	1.4
105.04527	1.1
105.07030	1.5
106.02909	0.6
108.05742	1.6
108.09384	0.6
112.03974	1.5
118.03522	2.7
119.01900	1.1
121.10123	1.0
123.04435	9.3
123.05545	20.9
123.08060	15.1
123.09009	0.6
123.09948	0.5
123.11700	15.6
124.03947	8.5
124.07611	0.7
140.03412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03946	5.7
55.01870	1.0
55.05514	13.9
57.07071	5.2
63.18219	0.7
65.03933	2.5
67.05508	47.3
69.03431	1.9
69.07059	3.2
69.37703	6.3
78.03468	1.3
79.05496	27.1
80.05018	9.7
80.06278	1.0
81.07058	100.0
82.01460	1.6
82.07391	1.5
91.05488	2.7
93.07036	9.7
94.07824	1.0
95.04964	10.7
95.08608	49.2
96.04487	3.7
100.02478	2.5
103.05492	1.7
105.04527	1.6
105.07036	12.1
107.04955	6.1
108.05739	31.2
112.03951	1.2
121.06506	5.1
121.10146	1.2
122.97344	1.0
123.04438	4.7
123.05556	17.5
123.08072	86.7
123.11709	23.4
124.03973	3.8
124.08413	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01612	0.4
51.02382	4.7
53.03949	7.8
55.01859	1.2
62.71401	0.4
65.03938	0.9
67.05507	9.7
70.84740	1.3
77.03932	14.7
79.05487	1.4
80.05015	1.8
81.07064	8.5
86.65935	0.4
95.04974	13.4
95.08610	1.8
96.04498	1.0
105.02689	0.4
105.03395	12.2
105.04485	3.9
108.05724	0.7
116.09061	0.4
123.04435	100.0
123.08070	2.0
123.11697	1.9
124.03971	1.2
124.04781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01595	0.7
51.02371	1.8
53.03947	8.4
55.01867	2.5
55.05511	9.7
57.03440	0.6
57.07075	3.7
63.38858	0.6
65.03942	3.0
67.05502	46.3
68.05032	1.1
69.03423	1.3
69.04584	0.7
69.07056	3.1
71.49319	0.5
71.49742	0.7
76.84187	0.5
77.03928	4.5
78.03455	1.8
79.05490	25.7
80.05018	29.2
80.05794	1.3
80.06278	2.2
81.03419	2.5
81.07054	100.0
82.01438	3.9
82.03702	0.6
82.06597	0.6
82.07398	0.7
91.05458	2.9
93.07042	8.4
94.07836	0.9
95.04968	31.1
95.08606	43.6
96.04492	18.2
96.05485	0.8
96.08136	1.2
96.08918	0.8
100.02486	17.5
101.00874	1.0
103.05463	2.4
105.03396	4.9
105.04496	4.3
105.07030	11.6
106.02914	2.1
107.04947	7.4
108.05767	34.1
108.09345	0.8
112.03945	3.4
118.03534	8.4
119.01919	2.3
121.06484	6.1
121.10126	1.4
123.04436	31.9
123.05548	57.4
123.08067	83.6
123.11700	19.7
124.03954	15.5
124.04896	0.6
124.07581	2.0
124.08457	1.2
137.02975	1.4
140.03423	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
58.99859	1.8
66.79783	1.2
69.23089	1.2
70.40313	4.7
70.40672	1.9
77.85052	1.4
79.51935	1.4
81.03458	1.3
82.01446	62.3
83.01492	2.3
100.02483	100.0
101.00878	18.1
118.01141	2.4
118.03529	22.1
119.01166	2.2
119.01926	23.4
137.02985	3.8
142.03528	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01592	1.1
50.49337	0.3
51.02383	4.5
53.03719	0.6
53.03949	8.7
55.01873	2.2
55.05520	1.6
57.07077	0.7
57.97753	0.3
64.45759	0.3
65.03943	1.7
65.55036	0.3
67.05509	16.4
69.07046	0.5
71.49193	0.6
75.51864	0.3
77.03935	11.9
78.03448	1.2
78.06317	0.5
79.05502	5.2
80.05019	10.4
81.03403	1.4
81.05807	0.5
81.07057	15.3
82.01431	1.4
91.05476	0.4
92.05028	0.5
93.07037	1.4
94.13824	0.3
95.04971	27.0
95.08601	5.7
96.04501	7.4
96.08141	0.5
100.02492	3.1
101.00838	0.4
105.03401	13.1
105.04490	4.6
105.07021	0.8
106.02910	0.6
106.07417	0.5
108.05723	1.3
109.05267	3.8
112.03971	1.4
118.03503	1.4
119.01925	1.3
123.04424	100.0
123.05523	21.8
123.08054	9.0
123.09142	1.3
123.11693	2.5
124.03963	7.4
124.04803	0.9
124.07600	2.2
138.86636	0.3
140.03465	0.6
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
50.01588	1.3
51.02370	2.7
53.03947	23.5
55.01859	3.7
55.05515	6.9
58.99570	1.4
65.03941	22.5
67.05511	4.6
69.74677	5.2
72.90024	0.9
77.03924	4.5
78.56663	1.0
79.05494	58.2
80.06253	1.4
81.03407	3.8
81.07047	3.8
91.05482	64.2
92.05783	1.2
93.03418	1.8
93.04520	2.0
93.07043	100.0
94.06561	2.6
94.07377	2.3
95.04971	19.8
98.21497	1.9
103.05469	49.2
103.06157	2.5
103.45492	0.9
104.05788	6.5
105.03410	1.4
105.04531	12.7
105.07030	96.3
106.07855	9.0
111.04446	2.8
119.08590	12.9
121.02874	12.4
121.04017	7.6
121.04769	1.3
121.05673	2.0
121.06512	42.0
121.08389	8.3
121.10140	55.8
122.06045	2.3
122.06841	1.1
122.09676	1.3
122.10490	1.5
123.08051	7.1
132.94267	1.0
133.07605	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	122.0966
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
53.03938	0.9
70.94756	0.5
70.95093	0.4
77.03909	0.5
79.05495	7.1
94.28622	0.2
95.05015	0.5
103.05467	4.7
105.07032	100.0
106.07348	1.6
112.55909	0.3
118.47493	0.3
122.09625	0.4
131.32227	0.3
142.51779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01595	1.1
51.02379	3.2
53.03714	1.5
53.03948	22.7
55.01869	3.8
55.05502	3.7
55.24182	1.0
57.02319	1.1
57.50465	1.1
58.47468	1.1
59.47879	1.1
61.58290	1.1
65.03944	19.7
65.59521	1.1
66.04276	1.0
67.05499	4.3
71.49387	1.8
72.77599	0.9
77.03931	3.0
78.04720	1.9
79.05495	57.3
80.05035	1.4
81.03416	4.5
81.07056	1.5
81.29474	1.0
91.05484	55.1
92.05828	1.6
93.03400	1.9
93.04527	2.6
93.07047	73.6
94.06564	2.9
94.07407	1.0
95.04971	20.4
103.05471	47.5
104.05801	4.8
105.04523	11.1
105.07034	100.0
106.07850	8.2
111.04443	3.4
119.08588	14.0
121.02879	17.9
121.03990	9.1
121.04752	1.5
121.05674	2.5
121.06513	39.5
121.08424	4.6
121.10149	56.2
121.11040	2.7
122.06042	3.2
122.09693	1.4
123.08074	8.8
133.07625	8.6
138.06866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02384	1.0
53.03948	10.5
55.01868	1.5
55.05513	1.4
56.96553	0.5
63.26902	0.4
65.03937	6.4
67.05509	1.0
68.19829	0.5
71.48914	0.4
71.49361	0.6
77.03916	1.7
79.05495	37.4
80.93180	0.5
81.03406	2.3
81.07046	0.9
91.05483	20.2
93.04524	1.4
93.07047	25.8
94.06573	0.9
95.04964	8.7
95.08701	0.5
103.05468	30.8
104.05797	1.0
105.04547	6.2
105.07033	100.0
106.07856	6.9
111.04438	0.7
118.81828	0.4
119.08582	14.5
120.05768	0.7
121.02882	5.8
121.04002	3.8
121.04775	0.6
121.05681	1.0
121.06516	13.7
121.10145	45.7
122.06065	0.8
122.09653	1.1
122.10482	1.2
123.08080	8.6
133.07626	8.8
138.06862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	1.8
53.03947	16.7
55.01872	2.4
55.05510	2.6
65.03947	8.8
69.45136	2.0
69.45544	5.4
77.03922	4.0
79.05492	42.6
81.03419	1.5
81.07044	2.1
85.12415	1.1
91.05483	41.0
93.07048	59.6
95.04974	13.5
98.20755	1.7
100.33340	1.1
103.04901	0.7
103.05460	32.0
105.04527	7.0
105.07032	100.0
106.07844	7.0
119.08582	14.1
121.02867	7.0
121.03967	2.5
121.06509	24.7
121.10142	50.0
122.06063	1.0
123.08081	7.2
133.07634	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02379	1.4
52.87945	0.5
53.03709	1.0
53.03946	11.1
55.01867	1.4
55.05503	1.8
65.03937	6.9
67.05506	1.7
69.59949	1.9
69.60367	1.7
77.03930	2.9
78.04727	0.7
79.05493	41.6
81.03424	1.5
81.07055	1.3
86.09728	0.5
91.05479	27.3
93.04552	0.7
93.07045	27.1
93.73237	0.6
94.06582	0.7
94.61957	0.5
95.04964	9.1
98.21402	1.1
103.05469	28.0
104.05766	1.2
105.04540	5.9
105.07030	100.0
106.07851	6.9
107.04963	7.0
111.04416	1.2
112.03981	0.6
116.43069	0.5
119.08581	13.3
120.05739	0.9
121.02873	6.1
121.03970	3.1
121.06506	19.6
121.10142	51.5
122.07280	2.1
123.08080	7.7
131.87813	0.6
133.07605	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	2.7
52.86026	1.0
53.03945	25.2
55.01869	4.0
55.05508	5.5
55.75933	0.8
65.03605	1.8
65.03938	21.1
66.03454	1.3
67.05495	4.7
69.48831	7.3
76.02210	1.4
77.03925	4.2
79.05493	61.4
81.03406	4.7
81.07053	1.9
91.05480	62.1
92.05800	1.2
93.04532	2.6
93.07041	90.1
94.06547	1.7
94.07382	1.4
95.04964	22.0
103.05467	48.3
103.06161	2.4
104.05790	3.6
105.04524	15.2
105.07029	100.0
106.07853	7.3
107.07342	1.0
111.04443	3.4
111.86360	1.1
119.08574	15.5
121.02893	16.0
121.03905	7.9
121.06509	44.9
121.08420	3.7
121.10139	58.0
122.06042	2.6
122.09660	1.2
123.08080	7.7
133.07581	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01617	1.0
51.02384	2.7
51.96552	0.7
53.03949	30.0
53.69508	0.6
55.01875	3.1
65.03941	2.2
70.32958	0.7
70.33302	1.7
71.42455	0.6
77.03932	9.2
79.05498	1.0
79.51712	0.6
81.03416	3.0
91.05485	69.3
93.07045	59.7
95.04964	27.4
102.04688	2.2
103.05470	100.0
104.05774	0.9
105.04522	16.4
119.04963	0.6
121.06506	87.0
122.06832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01593	1.7
51.02375	4.7
53.03946	35.4
55.01868	2.9
65.03934	3.2
71.13296	2.0
71.13646	1.6
77.03934	9.1
81.03403	3.7
91.05484	72.5
93.07043	58.1
93.07640	2.5
94.07394	1.5
95.04970	30.6
102.04700	2.5
103.05468	97.5
103.31322	1.3
105.04514	15.7
121.02805	2.0
121.06507	100.0
122.06830	1.2
134.96272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	2.2
51.31404	0.5
53.03948	27.6
55.01878	2.9
55.35832	0.6
57.27268	0.7
65.03936	2.0
70.14706	2.3
71.49722	0.6
77.03942	6.8
79.05511	1.2
81.03412	3.1
90.92373	0.6
91.05482	58.3
92.05808	1.4
93.07043	53.5
95.04971	22.6
100.47527	0.6
102.04682	2.3
103.05469	100.0
104.05816	1.9
105.04515	14.3
107.91935	0.6
111.04449	0.7
121.02868	1.2
121.06508	76.2
122.06802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.2
53.03949	30.3
55.01878	3.5
57.27368	0.7
62.28021	0.7
65.03935	2.3
70.67433	2.3
77.03926	9.6
78.04710	0.9
81.03398	4.2
86.34685	1.0
91.05485	75.0
92.05831	0.8
92.88455	0.8
93.07043	66.7
95.04965	26.2
102.04667	2.5
103.05469	99.9
105.04526	16.0
107.54148	0.7
121.06505	100.0
122.06838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03953	5.1
53.81363	0.5
56.05036	2.9
65.03945	4.6
71.49304	0.5
74.06098	4.1
77.03933	0.9
78.93125	2.1
79.05503	2.6
79.05869	0.5
91.05487	15.8
92.05013	4.7
92.05802	7.2
93.06490	1.0
93.07050	17.5
94.06549	0.7
94.07402	0.6
95.04971	4.5
98.12747	0.5
98.20893	0.5
102.04693	1.3
102.05556	0.8
103.05473	91.7
104.05803	1.0
105.04520	3.1
105.07039	3.2
110.06030	0.9
118.06545	1.3
118.07332	1.0
119.07341	1.5
119.08595	0.7
120.04512	5.9
120.05701	4.2
120.08114	100.0
120.08862	3.6
121.02888	1.6
121.03965	1.0
121.06531	3.4
121.08424	1.2
121.10154	1.9
127.12492	0.6
133.07460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03945	4.5
55.01867	3.7
65.03938	70.7
68.99786	1.8
69.03406	0.8
69.04875	0.5
70.02095	2.4
71.01344	2.3
72.29184	0.6
77.03928	1.1
79.01849	1.0
79.05492	3.2
81.03419	1.0
83.01280	0.6
89.23590	0.5
91.05473	12.1
93.03397	4.0
93.07042	11.6
95.04952	4.2
103.05470	9.9
105.03406	0.7
105.04514	1.6
105.07028	6.2
106.07798	0.9
109.02861	1.1
111.04437	19.7
121.02863	100.0
121.03971	38.6
121.06492	14.1
121.10141	2.8
122.03214	1.0
126.92622	0.6
129.92310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
56.05036	5.0
65.03669	0.7
65.03943	8.8
65.71822	0.7
71.14299	1.4
71.23919	0.8
74.06085	4.7
77.03916	1.7
78.91760	0.7
78.93111	3.4
79.05492	6.6
80.05012	0.9
84.10078	0.8
91.05482	16.7
92.05009	5.1
92.05804	9.3
93.03419	0.8
93.07044	21.0
94.06559	1.0
95.04964	7.5
96.94189	0.8
101.30626	0.8
102.04681	1.3
102.05550	0.8
103.05469	98.7
104.05762	1.7
105.04531	3.6
105.07065	6.8
110.06062	0.9
114.49868	0.7
118.06534	2.3
118.07343	2.0
119.07354	1.8
119.08594	1.2
120.04515	5.8
120.05658	6.0
120.08113	100.0
120.08909	9.6
121.02875	5.7
121.03998	2.3
121.06486	5.4
121.08414	1.6
121.10152	4.2
123.08146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04978	1.1
83.06094	0.6
83.08616	3.9
84.04502	8.8
85.02908	2.3
85.04036	1.1
85.06512	0.3
86.99059	1.5
88.02204	1.1
91.03970	1.4
91.05480	10.7
93.07044	10.2
95.04969	6.9
95.08607	8.3
97.01118	0.4
97.02880	2.2
97.06537	0.6
97.10161	1.0
98.06081	0.3
99.04442	0.4
99.08036	0.4
100.02209	0.5
102.05530	0.3
103.05457	0.6
105.04516	0.7
105.07034	6.8
107.04972	1.4
107.08593	5.7
109.02858	0.3
109.06506	1.4
109.10153	4.4
110.05992	0.3
111.04414	0.5
111.08077	1.9
112.02189	0.2
114.03743	0.5
115.05459	1.0
116.01677	11.8
117.07024	2.2
119.04919	0.3
119.08582	5.5
120.08936	0.3
121.06521	1.2
121.09328	0.4
121.10143	5.2
123.04422	0.6
123.08080	0.7
123.11694	1.3
124.02232	0.3
125.09592	0.7
126.05495	0.5
127.03911	0.8
128.06216	0.4
129.07036	2.6
130.05005	7.5
131.04536	0.7
131.08566	4.8
133.06476	0.8
133.10126	3.5
134.05969	0.2
135.08107	0.3
135.11681	3.5
137.06085	0.3
137.09625	0.5
137.13260	0.6
138.62151	0.2
141.04797	0.6
141.06949	0.4
142.03215	6.3
142.07779	0.9
143.08540	0.6
144.01151	8.0
145.05022	0.5
145.06111	0.9
145.10126	2.3
146.02654	0.3
146.08064	0.4
147.08026	1.0
147.11693	3.7
149.09656	1.3
149.13257	2.1
155.08575	0.4
157.10153	2.5
159.11690	1.7
160.00690	0.3
161.03789	0.3
161.13263	1.4
162.02203	25.4
163.05963	0.5
163.11168	0.5
163.14810	0.8
165.12726	0.7
169.10138	0.2
170.02693	2.5
171.11655	0.3
173.13235	1.2
175.11206	2.4
175.14838	0.6
177.03282	2.2
177.12810	0.3
179.04852	41.2
180.05122	0.5
185.03783	0.5
185.13193	0.3
186.02133	0.3
187.05359	1.7
187.14882	0.7
189.03444	0.2
189.11201	0.5
193.12244	6.2
194.12694	0.3
199.05409	0.5
201.16432	0.3
208.06027	0.8
211.13255	0.6
215.04846	1.6
216.03244	0.5
227.04832	0.3
227.12813	0.9
231.04408	0.4
233.05914	12.1
233.22675	0.2
234.06117	0.3
238.07195	0.6
243.21176	1.1
245.05965	2.6
249.14966	0.5
259.20627	0.4
261.22125	5.0
267.15912	21.4
268.16211	0.5
272.07089	0.4
276.15970	0.4
289.04938	0.5
290.08044	0.9
291.06317	1.7
301.14127	0.3
301.25290	1.0
308.09103	100.0
309.09433	1.7
309.16995	0.7
317.24771	0.7
325.63037	0.2
333.24405	0.2
335.25809	20.5
336.26273	0.7
341.10056	0.9
350.10214	0.8
386.10107	0.6
416.10986	0.4
421.25583	0.3
434.12378	0.5
435.27353	0.4
435.32788	0.9
452.13373	1.6
453.33649	1.4
463.74246	0.2
470.14474	3.4
471.34683	0.7
475.30930	0.3
527.37341	14.2
528.37488	0.7
545.38354	11.6
546.38647	0.5
569.38477	1.0
611.38849	0.5
623.39813	0.4
632.19440	0.5
634.86829	0.2
635.39215	0.4
653.40735	0.5
656.41187	0.7
671.41327	0.4
674.62952	0.3
687.01526	0.3
713.31171	0.3
723.41553	0.4
745.14471	0.2
777.43237	0.4
834.45776	1.2
852.46582	3.4
853.47943	0.3
870.46490	0.3
1014.52161	1.8
1015.52441	0.3
1114.14832	0.3
1176.55603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	2.6
65.03931	3.1
69.40680	5.3
75.51970	0.7
78.04739	0.9
79.05486	7.4
91.05482	100.0
92.35191	0.8
93.07027	6.4
95.04964	2.3
96.59837	0.7
102.04651	0.9
103.05469	15.5
104.06250	13.4
105.04504	2.1
109.06503	1.2
115.04680	1.2
115.05450	8.6
116.56306	0.7
117.07021	48.4
119.08583	86.4
120.08920	0.9
131.06064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04967	0.8
83.06103	0.8
83.08621	4.4
84.04504	9.7
85.02909	2.2
85.04027	0.7
85.06507	0.4
86.99041	1.3
88.02206	0.9
91.03954	1.1
91.05482	10.9
92.01688	0.3
93.07043	8.5
93.07630	0.4
95.04968	7.4
95.08607	8.0
96.04456	0.3
96.08949	0.3
97.01060	0.4
97.02905	2.0
97.06515	0.9
97.10155	1.0
98.00652	0.4
102.05547	0.3
105.04530	0.5
105.07034	6.3
107.04929	1.7
107.07882	0.4
107.08599	5.4
108.04424	0.3
109.02878	0.4
109.06474	0.8
109.10149	4.1
111.04436	0.5
111.08089	1.8
112.02190	0.5
112.04005	0.3
113.00543	0.3
114.03759	0.9
115.05417	0.8
115.91734	0.3
116.01678	11.8
117.07040	2.1
119.08582	5.7
121.06498	0.8
121.10143	5.3
123.04441	0.4
123.08073	0.6
123.11705	0.7
124.02140	0.5
125.09594	0.8
126.05535	0.5
127.03893	0.5
128.06215	0.6
129.05571	0.3
129.06970	2.6
130.01776	0.3
130.05003	6.6
131.04561	0.8
131.08575	4.2
133.06509	0.8
133.10107	3.1
135.08057	0.4
135.11671	2.8
137.09621	0.5
142.03229	7.1
142.04311	0.5
142.07793	1.0
143.08528	0.4
144.01149	7.1
145.04947	0.8
145.06155	0.6
145.10126	2.9
146.02716	0.4
146.08107	0.4
147.08025	0.9
147.11668	3.1
149.09628	1.5
149.13260	1.7
157.10144	2.4
159.11696	1.1
160.00745	0.3
161.13258	1.1
162.02205	23.5
163.02466	0.4
163.06059	0.5
163.11148	0.7
163.14842	0.8
165.12798	0.5
170.02699	2.4
171.11763	0.5
173.13220	1.4
175.11197	2.2
175.14728	0.3
177.03296	1.5
179.04857	41.8
180.05237	0.5
181.06047	0.4
185.03757	0.5
187.05348	1.6
187.14867	0.5
188.03720	0.3
189.11206	0.4
193.12250	5.0
201.16431	0.4
201.33803	0.3
208.06125	0.8
211.13248	0.7
215.04869	2.2
216.03242	0.4
223.67668	0.4
227.04834	0.5
227.12814	1.2
231.04422	0.9
232.42830	0.4
232.52631	0.3
233.05916	12.5
235.13217	0.5
243.04330	0.3
243.21094	1.1
245.05934	2.8
249.14717	0.3
261.22128	4.2
266.12048	0.6
267.15912	21.1
268.16296	0.7
274.09470	0.3
290.07986	1.1
291.06400	1.6
301.14667	0.3
301.25302	0.8
308.09106	100.0
309.09320	2.3
309.16986	0.5
317.24969	0.5
319.15170	0.3
335.25806	16.5
336.26230	1.4
341.10107	1.1
350.10086	0.6
386.10162	0.7
416.11169	0.4
421.25702	0.4
434.12418	1.0
435.32687	0.9
449.29004	0.3
452.13281	1.0
453.33594	1.2
468.32654	0.3
470.14478	3.5
471.35031	0.8
490.66168	0.3
527.37323	11.1
528.37372	0.9
545.38373	9.2
545.46808	0.4
546.38525	0.8
569.38068	0.9
587.39197	0.3
632.19049	0.4
656.41571	0.7
721.40643	0.8
722.41095	1.1
723.41479	2.0
782.44434	0.4
834.45355	1.2
852.46588	3.6
868.45392	0.5
869.46228	0.9
870.46643	2.8
873.54480	0.3
1014.51312	1.5
1032.51331	0.4
1176.56567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.36087	0.6
53.03957	1.0
53.09082	0.5
65.03942	18.9
70.85775	1.5
79.05479	1.5
91.05482	100.0
92.04992	0.6
92.05822	1.9
93.07045	1.9
95.04986	0.7
103.05473	7.2
104.06245	1.6
117.07024	2.1
119.04949	32.5
119.06874	2.6
119.08578	11.8
119.09378	1.0
120.08099	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03960	2.1
55.81352	0.3
65.03936	2.8
67.05505	0.6
69.40067	0.8
69.40490	1.9
74.72021	0.3
77.03929	0.5
78.04705	0.6
79.05496	7.4
81.21546	0.3
91.05480	100.0
91.54298	0.3
92.05825	0.8
93.07051	3.8
95.04954	1.2
102.04684	0.4
103.05470	8.6
104.06250	7.0
105.04518	0.9
109.06541	0.3
114.77083	0.3
115.05453	4.5
117.07017	24.2
119.04939	1.1
119.06075	1.3
119.08578	52.6
120.08895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02345	0.8
52.59545	0.7
53.03952	3.8
54.04271	1.0
54.91294	0.7
55.01865	0.7
65.03951	4.4
67.05526	0.6
70.23429	2.6
74.40174	0.7
77.03908	0.7
77.93406	0.7
78.04698	1.0
79.05492	7.4
88.64143	0.7
91.05484	100.0
92.04967	0.6
92.05820	1.6
93.07047	5.4
95.04963	3.1
96.04448	0.9
96.05328	0.6
103.05463	13.9
104.06253	12.3
105.04504	1.4
106.04831	0.7
109.06509	0.9
115.05470	4.3
117.07018	22.8
119.04977	3.7
119.06088	2.4
119.06856	2.7
119.08584	74.8
120.04470	0.8
120.08096	4.4
120.08886	1.0
122.15369	0.6
138.91763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.37181	0.4
51.02381	1.0
52.87110	0.4
53.03954	2.9
58.06615	1.0
59.93124	0.6
62.90112	0.4
65.03943	1.2
70.06582	1.0
72.08156	3.0
73.56908	0.4
76.93371	7.5
77.03935	1.0
91.05483	41.6
92.05820	0.6
94.94420	1.9
95.04971	2.8
105.04525	1.8
116.05843	0.6
117.05757	4.9
117.95983	0.9
118.06558	100.0
118.08700	1.6
119.04961	1.0
119.06074	0.5
119.06877	1.0
119.08598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.8
67.05499	13.0
69.03453	5.2
69.76637	3.1
69.93013	15.3
80.02942	8.4
80.81312	3.4
82.99834	6.0
85.01408	6.1
91.05488	36.8
93.07058	5.1
95.72274	3.3
100.02495	6.1
101.00220	4.8
101.00886	57.7
103.02455	12.5
107.05249	11.9
107.55332	5.0
116.05777	10.4
117.05569	3.6
119.01923	100.0
119.02727	6.8
119.04917	3.5
121.03484	4.6
129.04028	5.0
137.02960	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.72795	0.5
51.02382	0.7
53.03953	1.0
54.65551	0.5
65.03935	19.2
70.65752	1.0
70.66062	0.8
78.06479	0.5
79.05505	0.8
86.12838	0.5
91.05479	100.0
92.05820	2.5
93.07043	1.1
95.04967	0.8
103.05501	2.9
104.06262	1.4
115.05428	1.2
115.25649	0.5
117.07025	3.7
119.04940	30.4
119.06836	1.8
119.08575	14.2
120.04459	0.5
120.08100	1.4
131.70120	0.5
133.90274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02377	0.9
51.05595	0.7
51.46074	0.6
53.21624	0.6
55.86761	0.7
65.03617	1.1
65.03945	17.8
65.04285	1.1
71.04194	0.8
71.04511	1.2
79.05479	0.7
91.05483	100.0
92.05806	2.4
103.05444	0.8
117.07007	1.2
119.04950	28.7
119.06820	1.4
119.08568	5.0
120.08070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03947	7.1
55.05514	1.1
58.06605	1.0
59.93100	1.1
65.03941	1.6
70.06593	1.7
70.74257	1.7
70.74615	1.7
72.08129	3.5
74.90005	0.9
76.93371	6.7
77.03935	2.3
81.03417	1.1
91.04903	2.0
91.05480	38.8
94.94392	1.0
95.04956	4.9
105.04488	4.1
112.74622	0.8
117.05746	2.8
118.06542	100.0
119.06879	1.1
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
53.03942	1.4
65.03933	0.9
69.72334	3.5
72.08163	1.0
76.93363	2.7
82.49895	0.9
84.83350	0.7
91.05485	40.5
95.04916	1.5
98.20721	0.7
107.80558	0.8
117.05742	5.5
118.06548	100.0
119.06881	2.1
133.84961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
63.09747	0.2
68.05023	0.3
70.06592	100.0
71.03635	0.4
71.06918	0.6
86.87869	0.1
91.56504	0.1
110.41925	0.2
116.07096	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	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07513	0.1
53.24753	0.1
53.25086	0.1
62.75033	0.1
65.44585	0.1
68.05023	0.3
69.92768	0.6
70.06593	100.0
71.06925	0.6
74.02431	0.2
79.16196	0.1
82.17950	0.2
116.07096	8.6
126.29523	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24351	0.1
55.68378	0.2
67.11742	0.1
68.05034	0.3
70.06592	100.0
70.87351	0.3
71.06910	0.8
73.34801	0.1
74.02431	0.2
74.93835	0.6
82.91498	0.1
92.94876	0.2
96.48052	0.1
98.06066	0.3
116.07092	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	1172.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	19.1
81.06593	0.4
81.07051	5.8
82.03764	0.3
83.04962	1.2
83.06081	0.6
83.08621	5.9
84.04505	8.7
85.02894	2.4
85.04005	0.9
85.10173	3.2
86.99052	1.7
88.02194	1.0
89.06010	0.6
91.03953	0.9
91.05486	4.9
93.07056	2.0
94.38722	0.3
95.04973	6.4
95.08604	6.7
96.57929	0.3
97.02897	2.3
97.06536	0.5
97.10187	1.5
98.20906	0.5
100.02187	0.6
102.05566	0.4
103.05480	0.3
103.07527	0.4
105.07034	3.8
107.04977	2.0
107.08567	0.9
108.04467	0.4
109.02815	0.4
109.06515	1.1
109.10155	3.2
110.06016	0.4
111.04455	0.6
111.08093	1.6
112.03912	0.3
113.03498	0.3
114.03736	0.8
115.05439	0.5
116.01678	12.5
116.25768	0.3
116.61443	0.3
117.07013	0.4
119.04919	0.4
119.08575	3.5
121.06521	0.6
121.10103	1.5
123.04416	0.7
123.08018	0.4
123.11701	1.1
124.02166	0.6
126.05494	0.4
127.03923	0.5
128.06201	0.4
128.07034	0.5
129.07042	2.7
130.05002	7.5
131.04538	0.7
131.08571	2.0
133.06485	1.4
133.10088	1.0
134.06017	0.3
135.11705	0.4
137.09639	0.4
141.04790	0.6
142.03226	6.3
142.07704	0.4
143.08461	0.3
144.01143	7.8
145.04933	0.6
145.06039	0.6
145.10089	0.6
146.02646	0.3
146.08116	0.4
147.08018	0.9
147.11693	1.7
149.09657	1.5
157.10143	3.1
162.02202	24.7
163.05975	0.5
165.12772	0.5
170.02737	2.8
175.11162	2.6
177.03285	2.7
179.04852	40.8
180.05092	0.3
181.06114	0.3
184.07469	0.3
185.03845	0.4
187.05426	2.0
193.12248	9.8
199.05324	0.6
205.06470	0.4
208.06010	0.6
211.13235	0.4
215.04857	2.0
216.03374	0.4
227.04868	0.6
231.04367	0.5
233.05911	12.5
238.07253	0.4
239.23743	0.7
243.04280	0.5
245.05951	2.6
249.14841	0.5
257.24728	1.5
267.15918	29.6
268.16257	0.7
274.09189	0.4
289.04773	0.5
290.08020	1.1
291.06497	1.8
301.14447	0.5
306.07498	0.4
308.09100	100.0
309.09412	2.0
309.16818	0.8
313.27359	31.3
314.27686	1.1
341.10190	0.9
350.10089	0.8
386.10110	0.6
434.12262	0.6
452.13361	1.2
470.14383	4.1
504.57928	0.3
505.38873	23.3
506.39120	1.2
523.39807	0.9
547.39667	1.1
700.42029	0.3
701.43286	0.7
812.47076	1.4
830.48450	3.3
848.46027	0.5
857.20123	0.3
891.45874	0.3
964.74109	0.4
968.82605	0.3
992.53467	2.0
1154.58093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03422	6.1
83.04994	1.5
85.02895	1.6
89.03915	7.0
91.05467	2.6
91.05968	0.6
93.03395	5.2
95.01327	0.6
95.04965	4.2
99.04470	1.6
103.05462	3.0
105.03394	2.0
105.04498	1.1
105.07056	1.1
107.04951	9.3
109.02893	4.7
111.00803	10.4
111.04438	17.0
115.05444	2.3
117.03400	3.9
117.06989	1.2
119.04927	2.7
121.02856	3.0
123.04426	100.0
124.04738	1.5
127.03914	80.0
128.06203	0.5
129.07042	0.8
131.04929	5.0
135.04411	96.2
136.04733	1.6
137.02348	7.4
137.05968	1.7
139.03897	55.0
140.04259	0.7
141.07016	2.1
143.04958	2.0
145.02840	3.1
145.06485	2.7
147.04391	11.4
149.02332	9.8
149.05946	3.1
150.03130	0.9
151.03897	24.7
153.01741	1.0
153.05458	1.8
153.06934	1.1
155.03694	0.6
155.04922	3.0
155.06047	0.9
157.06488	1.6
159.04422	5.9
161.02266	1.4
161.05957	5.6
163.03897	77.3
164.04224	1.6
165.01848	1.8
165.05528	4.2
165.06825	1.0
167.03360	4.5
169.04959	3.9
169.06494	2.8
171.04459	1.0
173.02324	1.7
173.05989	8.4
175.03920	6.2
175.07535	0.9
177.01883	1.0
177.05475	10.5
179.03383	14.9
180.61870	0.6
181.04964	1.5
181.06427	1.3
183.02910	0.9
183.04405	3.9
185.05933	3.8
185.66240	0.6
187.03848	9.3
187.07550	1.0
189.01866	1.0
189.05484	5.5
191.03398	10.1
193.04962	3.8
197.06000	7.3
199.03868	1.4
199.07449	0.9
200.04674	0.9
201.05457	13.3
203.01486	1.1
203.03389	18.0
203.07039	2.6
205.04994	4.6
207.02827	1.1
209.06068	1.1
211.03902	1.5
211.07608	1.0
213.05460	6.4
215.03459	4.6
215.07001	4.4
216.04172	1.1
217.04919	3.8
219.02940	0.7
219.06509	2.9
221.04279	1.5
221.06186	0.7
223.02414	3.6
225.05458	3.6
227.03392	1.7
227.07025	1.4
229.04962	18.6
231.02893	1.7
231.06502	4.1
233.04350	4.7
237.05481	2.3
239.03435	0.7
239.06917	1.4
241.04947	5.6
242.05597	0.9
243.02809	1.3
243.06485	6.0
245.04451	83.0
246.04779	2.0
247.06010	77.6
248.06319	1.5
253.04996	4.6
255.06483	4.8
257.04446	23.8
258.05106	3.1
259.06006	12.4
261.07520	5.5
263.05380	2.8
265.04984	1.7
267.06528	2.4
269.04413	8.1
270.05087	1.7
271.05991	42.8
272.06372	1.3
273.04813	0.6
273.07562	3.1
274.04614	3.3
275.05466	21.5
277.04947	1.9
279.06534	1.6
281.04544	4.6
282.05283	0.9
283.05960	11.2
284.06342	1.0
285.03964	3.4
285.07526	3.1
287.05481	33.1
288.05841	1.4
289.07050	50.9
290.07388	1.4
291.05771	1.3
291.08661	15.1
293.04553	0.8
293.08160	0.7
295.06042	7.0
297.03882	6.1
297.07492	1.6
299.05502	9.6
301.07050	14.5
303.04987	1.5
303.08594	2.8
305.04358	0.8
307.05988	2.0
309.03894	2.0
309.07477	1.5
311.05499	4.3
313.07031	6.0
317.07849	2.0
319.06003	1.9
321.03876	1.3
321.07507	1.7
323.05478	5.1
325.07101	1.1
327.04935	1.4
329.06555	1.9
331.08386	4.1
333.07614	2.3
335.05334	1.4
335.09094	0.8
337.07080	2.4
339.04944	1.7
339.08713	0.7
341.06461	1.7
345.07520	1.7
347.05466	1.7
349.07065	1.7
351.05051	1.9
361.07050	4.0
363.04858	2.3
363.08771	3.0
365.06403	2.9
367.08295	1.1
373.07089	1.5
375.04852	1.1
377.06494	3.2
379.08118	11.9
380.08334	0.7
381.05783	1.3
383.07565	2.5
389.06384	5.2
391.08148	5.3
393.05933	7.0
395.07315	3.2
396.07974	1.0
397.09265	10.2
401.06702	1.4
405.05508	3.2
405.10397	1.0
407.07645	33.9
408.07898	1.3
409.09186	41.1
410.09647	1.5
411.10568	6.0
415.08118	1.3
417.05530	0.8
419.07565	6.8
421.09167	6.1
423.11038	3.1
425.08640	28.5
426.08990	0.7
427.10251	13.1
431.07516	2.2
433.09271	6.7
435.10843	2.0
437.08704	14.3
439.10376	2.8
449.08664	7.4
451.10281	14.5
453.11841	5.3
461.08994	1.2
467.09723	1.7
469.11575	0.9
485.11292	0.9
497.08481	0.7
509.07803	0.6
515.09442	1.4
517.11285	4.8
527.09467	2.6
529.11115	1.0
531.13007	1.5
533.10046	0.8
535.12427	5.4
541.11420	4.1
543.08856	2.7
545.10669	2.4
553.11127	0.6
555.09369	0.8
557.10614	1.9
559.12354	7.7
561.13721	1.6
569.10675	2.8
571.12030	2.3
575.11749	1.0
577.13342	14.9
578.13452	0.6
579.15051	16.6
580.15393	1.1
587.11285	1.6
589.12952	1.6
621.16187	0.8
659.67883	0.7
677.12347	2.6
679.14880	2.7
689.13055	0.7
695.14056	6.4
697.15833	6.3
699.16876	1.1
713.15155	1.2
715.17010	2.7
739.15967	1.0
805.14612	0.7
833.16241	1.0
867.20752	0.8
985.20636	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	1155.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03412	6.0
83.04974	1.5
84.15533	0.5
85.02905	2.1
89.03908	8.6
91.05481	2.4
93.03405	4.7
95.04984	3.9
97.02927	0.6
98.10007	0.6
99.04446	1.1
103.05470	3.2
105.03400	2.9
105.07030	0.9
107.04948	9.5
109.02863	5.5
111.00789	10.6
111.04436	15.6
115.05439	2.6
117.03384	3.7
117.07030	1.0
119.04937	2.0
121.02816	3.6
123.04421	92.8
124.04784	1.5
127.03910	90.8
128.04253	0.9
128.06201	0.6
129.07031	0.9
131.04926	4.8
135.04407	100.0
136.04732	1.9
137.02368	6.9
137.05954	1.3
139.03894	66.1
140.04216	0.9
141.06998	1.9
143.04930	1.4
145.02812	1.9
145.06490	3.0
147.04393	11.0
149.02357	12.5
149.05939	3.5
150.03030	0.6
151.03896	24.8
151.05147	1.2
152.06316	0.7
153.01849	1.0
153.05437	1.6
153.06984	1.5
155.03587	0.8
155.04919	3.6
157.06479	2.6
159.04411	6.3
161.02277	0.8
161.05986	6.5
163.03897	87.3
164.04233	1.1
165.01819	2.4
165.05475	4.2
165.06885	1.2
167.03426	5.1
169.04948	2.6
169.06471	3.5
171.04457	1.0
173.02365	1.4
173.05983	9.3
175.03896	7.2
175.07567	1.8
176.04716	0.8
177.01744	1.0
177.05472	11.2
179.03398	15.0
181.04942	2.6
181.06514	2.7
183.04442	4.5
185.05978	3.7
187.03845	11.0
187.07549	1.4
189.01851	1.1
189.05475	4.5
191.03377	14.1
191.07040	0.9
191.35417	0.6
193.04927	3.9
193.06441	0.8
197.05952	6.8
199.03973	1.2
201.05444	16.7
202.06108	0.7
203.03383	19.6
203.07034	3.4
205.01288	0.9
205.04958	4.9
207.06477	1.0
209.06010	1.6
211.03873	2.1
211.07527	0.9
213.05464	7.1
214.05983	0.7
215.03430	5.3
215.06944	4.9
216.04018	1.0
217.04930	4.0
219.02872	1.2
219.06473	2.0
221.04283	1.4
221.06123	1.2
221.54178	0.6
223.02339	3.4
225.05428	3.3
227.03445	1.7
227.07079	1.7
229.04948	22.0
231.02872	1.6
231.06432	6.4
233.04419	6.5
235.02432	0.8
237.05472	2.5
239.06920	1.5
241.04977	4.7
242.05658	0.9
243.02861	0.9
243.06529	8.4
245.04449	91.7
246.04878	2.3
247.06004	85.8
248.06340	1.5
249.05516	1.2
253.04985	4.5
255.06531	5.2
257.04431	27.5
258.05112	3.9
259.06003	12.7
260.06470	0.7
261.07614	5.4
263.05273	4.1
265.04950	2.4
267.06622	2.8
269.04428	10.0
270.05099	1.2
271.05988	45.4
272.06375	1.6
273.04041	1.2
273.07568	3.9
274.04562	3.3
275.05453	23.6
277.04871	1.0
279.06583	1.7
281.04297	4.7
282.05188	1.3
283.05991	14.6
285.03894	3.5
285.07513	2.6
286.04669	0.7
287.05487	39.3
288.05826	1.3
289.07043	60.7
290.07388	1.4
291.08646	22.0
293.04639	1.2
293.07870	1.2
295.05972	7.4
297.03906	7.5
297.07629	2.6
299.05463	8.5
301.07031	16.8
303.05270	1.6
303.08591	2.1
305.04486	1.0
305.08023	1.1
307.06082	1.7
309.04056	1.2
309.07498	1.0
311.05402	4.5
313.07047	5.9
315.05005	0.8
317.08017	1.9
319.05957	1.5
320.06818	0.6
321.04071	1.2
321.07562	2.6
323.05576	5.6
323.09207	0.9
325.07080	0.9
327.04898	1.3
329.06555	1.5
331.08261	5.7
333.07166	1.3
335.05356	1.2
337.07077	2.4
339.04980	1.0
339.08600	1.2
341.06824	2.7
343.05890	1.1
345.07690	1.1
347.05475	1.1
349.06851	1.2
351.05017	1.7
361.06992	4.7
363.04932	1.6
363.08630	2.7
365.06454	3.9
367.08188	0.9
373.07153	1.5
375.04727	0.8
377.06488	3.4
379.08063	12.3
381.05615	1.3
381.09808	1.5
383.07486	1.9
385.06949	1.0
387.08713	1.1
389.06525	5.7
391.08063	5.4
393.05945	6.5
395.07361	3.0
396.08508	0.7
397.09286	9.7
401.06482	1.8
403.08179	2.4
405.05673	3.5
407.07596	38.6
408.07928	0.9
409.09161	47.1
410.09335	1.0
411.10797	5.2
413.08673	0.9
415.08249	1.9
417.05676	0.9
419.07611	8.7
420.08047	0.6
421.09201	6.1
423.10580	2.2
425.08618	29.6
426.08554	0.8
427.10220	22.4
428.10626	0.8
431.07745	2.4
433.09180	10.8
435.10703	1.3
437.08661	13.2
439.10208	2.9
449.08566	6.5
451.10294	24.7
453.11874	2.8
467.09500	1.3
469.10995	1.2
485.10226	0.8
517.11194	3.6
525.07501	0.8
527.09650	1.9
529.11084	2.0
531.12927	1.0
533.10187	0.8
535.12512	4.5
541.11572	4.1
543.09064	2.4
545.10681	4.3
553.10840	0.7
555.09418	1.1
557.10468	1.8
559.12445	11.7
561.14081	1.0
569.10669	2.3
571.12158	3.9
577.13391	34.1
578.13342	1.3
579.14948	25.3
580.15277	1.2
587.11700	1.7
589.13049	3.1
621.15613	2.4
677.12689	3.5
679.14203	2.2
695.13965	8.5
697.15460	6.0
713.14532	1.4
715.15698	2.6
739.14954	0.9
815.15222	1.0
833.16467	1.1
867.20215	1.9
985.20306	2.1
1163.57288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.1281
Annotation	N-METHYLCYCLOHEXYLAMINE
Peak:m/z	Relative Intensity
55.01870	1.9
56.05029	2.1
57.05811	4.9
58.06315	1.5
58.06601	26.3
59.04998	1.3
68.05033	14.3
69.03425	2.1
69.07072	2.1
70.06577	2.7
70.78121	2.3
71.07374	7.6
72.08157	61.8
72.93789	100.0
73.57094	1.1
83.01346	1.9
84.08150	1.2
86.06071	2.9
87.04456	1.4
90.94825	19.2
96.04459	1.2
96.08153	1.8
100.94407	1.2
108.95901	1.5
113.96425	5.2
114.02663	2.0
114.05545	15.7
114.09184	7.4
114.12810	36.3
115.03929	2.2
131.97438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	5.7
83.04989	0.7
85.02898	0.9
89.03918	6.5
90.20616	0.4
91.05479	2.0
93.03396	3.0
95.04979	2.8
97.02859	0.6
99.04455	1.2
103.05453	3.0
105.03397	2.2
105.04539	0.7
107.01324	0.5
107.04292	0.8
107.04959	7.9
109.02872	4.3
111.00796	11.1
111.04440	12.5
115.05460	1.9
116.80117	0.5
117.03377	3.3
117.06976	0.7
119.04928	3.0
121.02883	2.5
121.06535	0.6
123.04427	82.5
124.04745	1.4
127.03916	89.0
128.04236	1.0
128.06256	0.8
129.07027	0.8
131.04930	5.1
133.02832	0.9
133.06490	0.8
135.04414	80.8
136.04793	1.1
137.02342	6.4
137.03342	0.9
137.06000	1.9
139.03900	60.9
141.06990	1.5
143.04929	1.9
145.02802	1.8
145.06500	2.1
147.04399	11.3
149.02339	9.1
149.06015	3.0
150.03082	0.9
151.03897	18.4
153.01825	1.1
153.05482	1.0
153.06918	0.8
155.03575	0.6
155.04878	2.7
155.06010	0.9
157.06493	2.0
159.04430	6.6
161.02310	1.1
161.05983	5.2
163.03905	75.6
164.04314	1.7
165.01820	2.2
165.05493	6.7
165.06908	0.8
167.03392	5.0
169.04968	2.7
169.06497	2.2
171.04517	0.5
173.02325	1.1
173.05986	6.7
175.03899	5.3
177.05473	9.3
177.06885	0.6
179.03398	11.4
179.07033	0.6
179.55257	0.5
181.04962	2.2
181.06509	1.8
183.04358	2.9
185.05992	3.0
187.03845	10.8
187.05270	0.8
187.07535	1.0
189.01756	1.0
189.05479	4.3
190.02670	0.7
191.03391	15.0
191.07057	1.2
193.04961	3.3
193.06493	0.8
197.05959	6.3
199.03883	1.3
201.05466	13.2
202.06026	0.5
203.01486	1.1
203.03383	20.0
203.06932	3.0
205.04990	3.7
207.02908	1.1
207.06509	1.6
209.06036	0.7
211.03860	1.0
213.05415	4.8
215.03404	4.3
215.06915	3.5
217.04912	3.8
219.06537	1.9
221.04359	0.9
221.06177	0.7
223.02333	1.8
225.05428	3.8
227.03455	1.3
227.06998	1.1
229.04948	18.8
230.05623	0.9
231.02892	1.9
231.06435	4.8
233.04503	5.5
233.31261	0.6
235.02269	0.7
237.05521	1.8
239.06955	1.0
241.04965	4.3
243.02908	1.2
243.06506	5.6
244.03647	1.4
245.04454	100.0
246.04778	1.9
247.06026	75.2
248.06393	1.3
249.05556	0.6
251.05362	0.8
253.05011	4.4
255.06625	3.7
257.04443	23.0
258.05103	3.1
259.06030	13.9
261.03720	0.6
261.07501	3.5
263.05255	2.9
265.04935	2.2
267.06506	1.2
269.04446	9.2
270.05191	0.7
271.05991	36.9
272.06290	0.9
273.03976	1.2
273.07562	2.4
274.04761	4.8
275.05475	28.8
277.04932	0.8
279.06415	1.5
281.04440	3.4
283.06000	13.2
285.03928	3.8
285.07248	1.0
286.04688	1.5
287.05487	38.9
288.05783	1.0
289.07068	48.0
290.07309	0.8
291.08658	23.7
292.08841	0.7
293.04425	1.0
295.06036	4.6
297.03903	5.2
297.07501	1.7
299.05441	7.4
301.07059	16.7
303.04944	1.8
303.08585	1.7
305.04272	0.6
305.07990	0.8
307.05862	1.4
309.03854	1.5
309.07590	1.4
311.05563	3.8
311.08832	0.9
313.07022	4.3
315.05728	0.5
317.08051	1.1
319.06036	1.1
321.03967	1.0
321.07635	1.2
323.05551	5.4
323.09161	0.9
325.06961	1.1
327.05133	0.6
329.06769	0.7
331.08435	2.4
333.07553	1.9
335.05499	1.6
335.09238	0.9
337.07062	1.2
339.04901	0.8
339.08728	0.9
341.06537	1.1
345.07544	2.1
347.05463	0.9
349.07074	1.5
351.04910	1.6
353.06396	0.7
361.07077	4.3
363.04877	1.8
363.08807	2.5
365.06671	3.7
367.08017	1.4
373.06973	2.0
377.06595	2.3
379.08121	7.3
381.10010	1.2
383.07724	3.1
389.06546	4.4
390.06808	0.6
391.08258	6.2
393.05865	3.9
395.07587	2.7
396.08047	1.1
397.09167	12.4
401.06406	1.7
403.08200	1.0
405.05777	3.0
407.07623	37.6
408.07925	0.9
409.09195	39.6
410.09290	1.2
411.10620	5.4
413.08365	0.5
415.08173	1.2
419.07571	7.0
421.09311	4.7
425.08670	21.7
426.09171	0.9
427.10266	22.4
428.10049	0.8
431.07504	1.9
433.09247	5.1
435.06711	0.7
437.08661	14.1
438.09399	0.6
439.10410	3.0
449.08701	5.1
451.10324	8.3
453.11838	2.7
467.09540	0.9
517.11218	4.5
523.06561	0.8
527.09796	1.9
529.11041	0.8
533.10706	0.6
535.05420	0.7
535.12415	6.9
536.12189	0.6
539.09985	0.7
541.11346	4.4
543.09265	0.8
545.10577	3.5
557.10498	2.0
559.12408	6.0
561.13635	1.2
569.10870	0.6
571.11859	1.8
575.11353	0.8
577.13495	9.6
579.14911	17.5
580.15222	0.7
587.11841	0.8
589.13153	1.8
677.13562	0.7
679.14966	2.3
695.13165	1.7
697.15448	5.4
699.16962	1.0
715.16992	2.3
833.16272	0.8
863.01093	0.6
985.20398	2.0
1003.22650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.69664	0.4
53.03944	6.7
55.05511	11.2
65.03938	4.8
66.85123	0.4
67.05502	100.0
68.05849	0.5
69.07068	6.1
70.04543	1.6
79.05489	10.7
80.06268	1.2
81.03413	7.2
81.07052	33.8
82.07388	0.6
87.78480	0.4
91.05478	1.5
94.04163	0.6
94.07828	1.4
96.68913	0.4
98.21469	0.5
105.06988	0.5
107.08585	3.9
109.02869	1.3
109.06523	3.5
109.10152	46.2
110.06079	0.5
110.10489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
51.28555	0.5
53.03950	14.5
55.01890	0.7
55.05515	12.1
56.05344	0.5
60.38331	0.5
65.03938	4.6
67.05509	100.0
67.93596	0.6
68.05848	0.6
69.07070	6.5
71.08218	1.2
79.05499	14.4
79.69704	0.4
80.06283	1.1
81.03423	22.7
81.07063	34.2
90.61308	0.5
91.05491	2.0
94.04198	1.6
94.07819	0.9
107.04970	0.7
107.08599	3.7
109.02885	4.6
109.06527	8.8
109.10165	43.5
110.06062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
54.03468	1.6
55.01868	1.8
55.02971	0.6
55.05515	28.3
56.05040	4.9
57.07077	1.5
58.06588	2.9
65.03928	2.0
67.05515	3.0
68.05033	9.5
68.99784	0.8
69.03428	1.0
69.04556	5.4
69.05352	1.8
69.07072	73.9
70.02954	1.6
70.04068	0.7
70.04883	1.7
70.06596	67.4
71.06109	2.8
71.07366	3.3
71.50569	0.9
74.66517	0.6
82.05320	1.8
82.06571	2.0
83.05004	4.1
83.06113	10.0
84.04509	1.3
84.05636	0.9
84.06429	0.7
84.08159	4.6
85.07666	2.7
88.00484	7.5
89.47950	0.6
93.04558	1.5
93.07051	1.4
94.06580	6.7
95.06104	5.3
96.04472	2.4
96.05620	4.3
96.06878	4.8
97.01002	4.0
97.06403	1.2
99.51279	1.9
110.07174	14.6
111.04454	7.1
111.05603	12.8
111.06340	1.2
111.06748	3.6
111.07392	9.8
111.08017	3.2
111.09209	100.0
112.03975	1.2
112.05128	0.8
112.07594	1.3
112.08739	24.0
112.09477	0.9
115.96461	3.8
116.97301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02380	1.2
53.03951	21.9
55.01876	6.9
55.05515	5.9
62.15394	0.4
63.61488	0.4
65.03943	6.3
66.04712	1.1
67.05508	44.2
67.93565	1.1
69.07074	3.0
71.04424	1.0
74.81982	0.4
79.05499	43.6
80.06282	0.8
81.03423	38.6
81.07060	47.2
82.03715	0.5
82.06581	0.5
82.07320	0.5
87.00470	0.6
91.05483	13.4
91.59408	0.4
94.04185	4.4
94.07816	0.4
95.04990	1.0
97.27724	0.4
105.04530	0.9
106.76622	0.4
107.04958	1.3
107.08606	1.7
109.02886	5.8
109.06522	100.0
109.10159	19.7
110.06041	2.0
110.06801	0.7
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
50.09437	0.4
51.27194	0.4
51.46119	0.4
53.00313	0.4
53.03951	3.2
55.01884	0.6
55.05513	10.5
56.05039	1.0
59.50155	0.4
65.03941	5.7
66.03481	0.5
67.05508	100.0
67.81335	0.5
68.05035	8.7
68.05399	0.5
68.05845	0.8
69.04556	4.4
69.07075	7.0
71.14726	0.5
79.05494	9.8
80.05032	0.7
80.06281	0.9
81.03421	4.4
81.04548	1.2
81.05368	0.5
81.07059	32.1
82.06581	4.0
83.06116	1.1
91.05489	1.7
92.05010	0.6
92.05847	0.7
93.04527	0.9
94.04219	0.6
94.05322	0.7
94.06138	0.7
94.07819	1.7
107.08590	4.0
107.92324	0.4
109.02879	1.1
109.04010	0.6
109.06556	3.3
109.07664	23.2
109.08456	3.1
109.10160	46.2
110.06074	3.6
110.07171	20.0
110.10471	0.7
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
50.97419	0.5
51.02393	1.5
53.00318	0.9
53.03948	31.5
55.01873	1.4
55.05514	10.0
56.06576	0.5
60.01006	0.5
65.03941	4.8
67.05506	100.0
67.93576	1.3
69.03402	0.8
69.07071	7.3
69.65725	2.4
69.66138	1.2
69.69458	0.5
79.05495	16.4
80.06279	1.5
81.03419	59.7
81.07056	37.5
82.03745	0.9
82.07387	0.7
91.05482	3.2
94.04185	2.9
94.07822	1.9
107.04941	0.7
107.08584	4.4
109.02885	8.4
109.06515	12.4
109.07668	2.1
109.10158	42.9
110.06053	4.3
121.87367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02378	1.4
53.03948	43.5
55.01874	2.1
55.05514	9.0
57.38065	0.8
61.35103	1.0
64.12525	0.9
65.03948	4.7
67.05507	88.5
67.93578	1.2
69.07069	4.6
71.38695	1.7
73.28656	1.0
79.05492	26.5
80.31586	0.8
81.03420	68.3
81.06596	2.1
81.07056	38.4
91.05482	4.5
94.04188	5.8
95.04997	1.0
95.72569	0.9
107.04937	2.7
107.08580	4.1
109.02856	10.6
109.06518	100.0
109.07697	2.6
109.10160	33.7
109.10921	0.9
110.06061	2.5
116.22823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01612	0.4
51.02390	2.1
53.00305	0.6
53.03950	49.3
54.04281	0.4
55.01867	1.3
55.05509	0.3
57.57652	0.3
62.18028	0.3
65.03967	0.3
67.05503	1.8
70.66831	0.7
71.61764	0.3
78.67583	0.3
79.05503	0.4
81.03422	100.0
81.07043	1.3
82.03761	0.8
82.06586	0.4
91.19749	0.3
94.04166	0.3
109.02144	0.6
109.02888	11.5
109.06533	0.7
109.07656	0.5
109.10163	0.6
110.06046	1.9
128.44922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02383	2.7
52.40829	0.6
53.03948	48.6
54.04290	0.7
55.01870	6.6
55.05512	6.9
65.03941	8.2
66.04731	1.9
67.05505	69.8
67.83430	0.5
67.93567	1.7
69.03433	0.7
69.07071	5.0
69.29495	4.8
72.51294	0.6
79.05020	1.6
79.05148	0.9
79.05493	43.5
81.03419	93.8
81.07055	53.0
82.03738	1.1
82.06593	0.7
91.05487	13.6
94.04186	10.7
94.07831	1.4
95.04980	1.3
107.04955	4.2
107.08601	2.7
109.02885	14.0
109.06519	100.0
109.10155	28.5
110.06046	4.1
110.06754	1.0
119.06078	0.8
121.03928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03947	4.9
55.01868	1.2
58.71632	0.3
62.99072	0.9
63.02365	0.4
65.03941	15.3
67.05504	3.3
69.59712	1.5
69.60130	0.7
77.03926	1.1
79.05494	24.3
80.05019	0.8
81.03431	0.6
91.05481	100.0
92.05808	0.6
92.06281	2.8
93.05795	0.4
95.04967	5.2
103.05463	0.7
105.04528	2.5
105.07032	29.6
106.04195	0.6
107.04958	27.6
107.08592	28.6
108.08128	0.9
108.08850	0.4
109.06517	7.9
119.06064	8.2
124.05199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03938	5.9
55.01868	1.6
59.33858	0.5
62.99072	3.2
65.03941	14.7
67.05503	3.6
69.41080	3.9
69.41487	1.1
71.27403	0.5
77.03929	1.5
79.05492	35.9
80.05015	2.0
80.05814	0.8
91.05480	100.0
92.05751	0.8
92.06281	3.1
93.05779	1.5
95.04968	4.9
103.05481	0.6
105.04528	2.5
105.07030	28.4
106.04176	1.3
107.04955	23.7
107.06908	1.0
107.08594	29.6
108.04488	1.0
108.08127	2.1
109.06509	9.0
118.53252	0.6
119.06055	8.3
124.05286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03931	2.1
79.05495	38.4
81.03416	12.3
81.06599	2.3
81.07053	44.4
82.07370	1.9
83.04964	3.5
83.08624	8.2
85.02914	6.0
85.06527	2.6
91.05479	31.3
92.05744	0.9
93.07043	39.6
94.07355	2.1
95.01340	8.8
95.04971	12.1
95.08602	34.5
96.08940	2.0
97.02882	6.4
97.06508	5.1
97.10164	5.4
103.03947	1.3
103.05455	2.7
105.03378	1.7
105.04464	1.6
105.07027	24.1
107.04949	9.5
107.08591	24.0
109.02849	3.8
109.06511	4.2
109.09466	2.0
109.10155	19.8
109.10857	2.3
111.00797	1.3
111.04433	1.8
111.08070	2.1
115.05450	3.8
117.07027	11.3
118.43113	1.0
119.04911	4.3
119.08591	17.8
121.02869	2.2
121.06490	6.9
121.10146	17.1
123.04401	4.3
123.08047	2.8
123.11697	4.3
125.02335	2.2
125.09595	4.9
127.03881	2.6
127.21198	1.1
128.06226	2.5
129.07024	8.1
131.04912	5.0
131.08571	15.1
133.06477	6.5
133.10135	14.1
135.04434	6.6
135.08029	4.6
135.11690	9.3
137.05975	2.6
137.09612	2.9
139.03896	3.3
139.11189	1.2
141.01802	2.6
141.06924	3.4
142.07726	1.9
143.08536	5.7
145.06433	5.1
145.10115	12.1
147.04405	11.6
147.08008	4.1
147.11681	9.1
149.02306	1.3
149.05949	3.4
149.09592	2.7
149.13310	5.8
151.03894	9.0
151.11157	1.0
153.05475	2.2
155.08560	5.3
155.10623	1.8
157.06525	2.8
157.10144	8.9
159.04408	2.4
159.08034	3.1
159.11693	10.0
161.02348	1.3
161.05946	4.8
161.09593	2.7
161.13216	3.9
163.03918	6.9
163.07542	2.5
163.11168	1.8
163.14810	1.5
165.01863	1.3
165.05464	1.9
167.08620	2.3
169.04945	4.2
169.10109	4.1
171.04344	1.5
171.08009	2.6
171.11626	6.9
173.05957	3.0
173.09593	3.2
173.11778	2.3
173.13223	5.4
175.03893	7.1
175.07436	1.6
175.11159	4.8
175.14774	2.2
177.03204	1.4
177.05475	3.9
177.12755	2.6
179.03397	3.3
181.04970	1.1
181.10114	3.3
183.08128	1.9
183.11691	3.4
185.05896	3.1
185.09602	2.0
185.13226	2.4
187.07539	1.9
187.11153	5.9
187.14874	1.9
189.05424	3.2
189.09027	1.9
189.12718	2.1
191.03340	2.3
193.05006	3.0
193.12180	2.6
195.08253	1.3
195.11673	2.6
197.09624	3.7
197.13289	1.6
199.03894	1.2
199.11172	5.8
201.12759	2.0
203.10710	1.7
205.12241	4.5
207.11934	1.3
207.13733	2.4
211.11217	2.2
211.13260	3.2
213.05537	2.2
215.10661	4.8
215.14218	1.8
217.04973	1.4
217.12204	4.1
223.11246	1.5
225.09221	2.0
227.10588	3.0
227.12643	1.8
229.12274	1.6
231.10110	1.3
233.11650	3.0
241.12244	3.2
241.19501	1.3
243.10181	4.0
243.21104	3.9
244.29973	1.1
245.11717	3.2
247.13394	1.3
251.10561	1.5
251.12767	3.0
255.10123	2.1
257.11743	1.3
259.13342	2.6
259.20609	4.6
261.11218	3.7
261.22159	10.4
263.12857	1.3
267.15811	1.7
269.11682	3.9
271.09650	1.1
271.13269	1.6
273.11249	2.3
277.14395	1.7
279.12448	1.5
287.12750	14.9
289.14346	5.6
297.13556	2.0
303.12238	1.6
305.13876	6.5
307.15231	1.8
308.09171	2.2
315.12137	10.2
317.24695	2.2
323.14853	3.4
333.13300	16.5
333.24197	4.5
335.25800	88.2
336.26050	7.1
337.26358	2.0
351.10529	1.6
351.14389	15.3
353.15662	2.0
363.18045	1.7
369.15424	3.2
371.17053	2.1
393.40070	1.3
407.16986	23.8
423.16641	2.1
425.18021	22.5
427.19693	2.7
441.17203	1.8
443.19058	20.4
513.18866	1.3
527.37189	9.5
545.38409	7.6
565.34784	1.8
567.36243	1.7
575.33380	3.4
583.35968	1.3
587.23199	2.5
593.34210	4.0
605.38458	1.6
607.36005	2.3
611.36200	9.5
613.36688	4.4
623.38824	4.7
625.36920	4.7
629.36304	3.7
631.37292	3.1
636.35828	1.3
637.36743	2.1
639.38422	2.4
641.40320	4.2
649.37708	5.7
657.39825	1.5
659.41492	1.7
666.36908	2.0
667.38336	59.4
667.49792	2.9
668.38226	4.0
683.37408	2.2
684.37738	4.6
685.39380	92.2
686.39343	4.1
701.38501	4.8
702.39453	6.8
703.40387	100.0
704.41040	5.9
720.39685	1.3
721.41290	16.2
811.42755	2.3
829.43298	3.0
847.30280	1.4
847.44666	18.9
865.45056	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02376	0.5
53.03946	5.0
53.08078	0.4
55.01878	1.0
55.02132	0.4
56.33009	0.4
62.99075	1.7
65.03944	14.9
67.05508	3.4
71.48987	0.5
77.03924	1.0
79.05497	34.3
80.05028	1.2
80.05827	1.1
80.90915	0.5
81.03416	0.7
81.36500	0.4
91.05485	100.0
92.05804	0.8
92.06264	3.3
93.05787	1.0
95.04972	4.6
97.04840	0.4
103.05470	0.6
105.04519	2.1
105.07035	28.3
106.04169	0.7
107.04962	17.1
107.06087	0.7
107.06929	1.2
107.08599	28.5
108.04473	0.9
108.08112	1.6
109.06530	9.3
119.06078	7.9
124.05191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.4
51.02372	1.2
51.94935	0.2
53.03948	9.9
55.01871	2.0
62.99083	1.5
65.03941	3.4
67.05499	1.0
69.18135	2.6
77.03920	2.1
78.04695	0.3
79.05494	19.8
80.05016	0.9
81.03419	0.9
91.05482	27.6
92.06270	1.1
93.05775	0.4
93.90292	0.3
95.04969	10.6
105.04513	6.0
105.07035	6.8
105.07655	0.2
107.04955	100.0
107.08592	8.7
108.04540	0.5
108.05303	1.4
108.08133	0.9
109.06510	2.3
119.06055	2.0
124.05222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01595	1.0
51.02386	4.2
51.25520	0.7
52.85291	0.6
53.03949	24.0
55.01871	1.0
59.60947	0.7
60.04520	2.3
62.99077	0.9
65.03942	1.7
69.25045	0.6
71.49273	1.1
77.03935	5.6
77.24979	0.7
79.05492	52.6
81.03423	2.3
87.00818	0.8
88.89862	0.8
95.04968	22.6
103.05466	34.8
105.03416	6.8
105.04520	13.7
105.07032	100.0
105.11097	2.1
106.06558	1.4
106.07359	1.3
117.69509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02381	2.5
51.61737	0.6
53.03947	13.4
53.22208	0.5
54.90210	0.5
55.01877	0.7
60.04507	0.9
63.98087	0.5
65.03937	1.4
65.48338	0.5
69.93935	2.3
74.48240	0.5
77.03925	5.1
79.05494	53.2
81.03423	1.4
81.14763	0.5
95.04967	13.2
97.46467	0.5
103.05466	36.0
104.06272	0.9
105.04526	8.2
105.07030	100.0
110.98089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1056.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03956	1.2
79.05077	1.4
79.05498	17.4
81.03419	7.9
81.07052	18.6
83.04951	1.9
83.08152	1.9
83.08615	18.6
85.02892	4.1
85.06535	2.0
85.10181	13.5
91.03944	1.3
91.05490	6.2
93.07054	4.4
94.63988	1.1
95.01327	7.0
95.04967	8.3
95.08060	2.0
95.08607	21.6
97.02901	5.2
97.10172	25.6
103.03943	1.5
105.07018	4.0
107.04955	9.7
107.08609	9.2
109.02885	4.0
109.10162	12.9
110.37968	1.2
111.08075	1.6
111.15099	1.2
115.05467	1.7
117.07020	4.4
119.08582	2.3
121.02902	2.6
121.06503	2.2
123.04430	11.5
123.08084	2.1
123.11694	3.7
125.02391	1.2
125.09627	22.3
129.06981	3.1
131.04892	3.0
131.08556	3.0
133.02892	1.3
133.06503	3.1
135.04422	20.6
135.08032	4.9
137.02296	1.7
137.05901	1.1
139.03899	1.5
141.06985	1.7
143.08632	1.2
145.06464	2.4
145.10147	3.0
147.04390	5.5
149.02332	2.8
149.05989	1.3
151.03902	49.1
153.05383	1.4
153.09113	2.6
155.08539	1.9
157.06496	2.3
157.10045	2.8
159.04425	2.7
161.05974	4.1
161.09607	1.4
163.03912	14.8
165.01822	3.3
165.07051	1.7
167.03412	2.4
167.08559	1.9
169.04958	6.6
169.06302	1.1
169.10109	1.8
171.04399	1.9
171.08128	1.6
171.10168	2.8
173.04485	2.7
173.05914	2.6
173.09544	1.7
175.03894	4.3
175.11264	1.5
177.01793	4.4
177.05457	3.4
179.03374	5.0
183.08092	1.8
185.05977	2.5
185.09612	4.0
187.03922	3.5
187.07610	1.8
187.11229	2.2
189.01819	3.2
189.05447	8.2
189.11218	11.6
191.03401	7.2
191.10703	1.3
199.03903	30.0
199.11227	1.3
201.05464	3.8
201.09052	1.4
203.03423	1.9
203.10664	3.2
205.04996	3.7
211.07571	1.6
213.05525	2.5
213.09091	3.9
217.04976	3.6
219.06546	1.8
221.04384	5.3
225.08986	1.9
227.10544	1.8
227.12796	1.3
227.67950	1.2
229.04897	3.1
229.08636	2.5
231.10178	6.7
239.05470	2.8
239.23680	1.8
241.08617	2.5
243.10222	5.2
251.05505	3.9
253.08705	2.7
255.10199	10.1
257.08176	7.5
257.11746	3.8
257.24802	2.9
261.11142	2.4
267.10214	4.8
269.11874	2.6
271.09647	5.2
273.11206	4.6
275.12692	2.3
283.09711	3.4
285.11057	6.8
287.12866	1.6
289.10678	4.1
295.09634	3.1
301.10635	3.7
303.12283	7.6
313.10657	7.7
313.27365	96.1
314.27634	2.2
319.11719	2.7
321.13510	5.9
331.11783	11.4
341.26904	8.9
349.12848	13.7
357.13354	18.2
363.14426	4.9
367.13748	5.6
375.14383	20.6
387.14456	5.4
405.15497	14.6
423.16510	100.0
424.16666	3.6
441.17578	65.5
442.17828	1.8
601.37457	10.0
613.37360	71.7
614.37622	3.3
619.38031	3.0
625.37689	5.6
643.38367	27.8
644.39044	1.8
646.77307	1.2
652.48492	1.2
661.39490	54.8
662.39240	3.2
679.40533	90.6
680.40674	5.9
697.41498	24.3
698.41614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01592	0.5
51.02382	2.7
52.19672	0.4
53.03948	16.8
53.86543	0.4
55.01858	0.6
60.04510	1.7
65.03935	1.0
71.01575	0.9
77.03935	3.2
78.05708	0.4
79.05492	53.9
80.05846	0.4
81.03410	1.2
81.79180	0.4
84.97378	0.4
95.04970	13.3
103.05469	34.6
104.90862	0.4
105.03407	1.6
105.04527	8.8
105.07030	100.0
105.11105	1.1
106.06577	0.6
106.07310	0.9
109.28716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
51.02375	1.7
53.03949	15.9
55.01871	0.9
70.85672	0.7
77.03931	6.0
79.05495	54.2
81.03431	1.6
83.87139	0.4
93.86509	0.4
94.22586	0.3
95.04971	13.3
103.05470	40.4
105.04539	7.2
105.07032	100.0
106.06682	0.4
106.07359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01597	0.5
51.02385	2.2
53.03949	14.3
55.01870	0.9
56.05102	0.3
69.72562	1.8
77.03935	5.7
79.05495	55.6
80.01108	0.3
80.13080	0.3
81.03419	1.7
95.04375	0.7
95.04974	13.8
103.05469	40.4
105.04535	6.4
105.07033	100.0
106.07385	1.1
111.48306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00659	2.7
76.02232	40.8
79.05489	16.5
80.05009	2.9
81.03422	3.9
81.07054	20.0
82.06516	1.6
83.04978	1.8
83.06094	6.6
83.08623	8.2
84.04508	13.1
84.04990	1.9
85.01112	3.2
85.02882	2.1
86.00661	8.6
86.99044	5.4
88.02201	6.7
91.05480	15.3
93.07048	18.3
95.04970	3.3
95.08598	16.5
96.04491	1.6
97.01093	3.9
97.02888	4.5
97.06522	2.2
97.10168	6.8
99.05569	1.8
102.05527	2.8
105.07034	10.4
107.04968	7.4
107.06096	2.0
107.08585	10.5
109.02879	14.1
109.10159	5.4
110.99029	9.8
111.02634	3.0
111.08083	5.0
112.02201	2.4
113.00600	2.3
114.00117	35.0
114.03731	2.7
114.05550	1.6
116.01684	15.9
117.06999	6.0
119.08598	8.0
121.06515	1.8
121.10144	5.5
123.02670	1.8
123.04437	2.1
123.08111	1.2
123.11744	2.0
124.02168	2.8
125.09628	5.7
129.06558	6.7
130.03264	1.3
130.04991	6.5
131.08563	5.9
133.04320	3.6
133.10127	12.4
134.05933	1.8
135.08060	2.4
135.11681	3.4
136.03926	2.8
137.09685	1.4
138.00119	3.3
139.02119	1.5
140.01711	2.3
141.00038	1.9
141.04774	3.5
142.03217	20.1
143.02719	3.9
143.08572	5.3
144.01108	6.1
145.06133	2.5
145.10095	2.2
145.19162	1.2
147.04427	2.2
147.11642	1.2
149.13228	1.5
151.11162	1.9
152.01651	1.6
153.06596	3.3
153.09102	4.3
155.08157	1.7
156.01137	28.9
161.09604	15.5
161.13335	2.2
162.02232	17.0
162.05396	1.2
163.11229	2.4
168.04822	1.8
169.76466	1.2
170.02722	6.6
170.11755	5.4
171.08055	6.2
171.10158	2.3
173.13264	1.6
179.04872	20.7
179.10675	6.4
181.06078	4.3
185.03816	3.7
187.05324	11.4
188.03770	1.9
189.03278	2.0
189.09120	12.2
189.11192	3.9
191.08867	3.3
193.06281	3.5
199.05363	1.6
199.07147	2.3
207.10185	8.8
208.05998	1.8
209.09930	1.8
210.09451	2.5
211.07361	1.6
213.03317	8.8
215.04846	5.0
219.08423	2.0
225.11227	25.3
227.12741	2.1
229.08916	9.9
229.14339	1.8
231.04289	2.2
233.05928	16.8
236.10992	3.5
237.09419	5.0
245.05870	4.6
254.12120	5.1
257.07962	1.4
261.22174	2.1
264.10571	10.1
265.08868	3.2
281.13901	2.5
282.11609	23.3
294.11627	1.3
299.14932	3.4
300.12689	8.8
308.09155	7.7
310.11176	10.1
321.12799	2.1
322.10629	3.5
328.12082	8.7
335.25797	24.9
339.13736	8.6
356.15228	1.5
357.14783	4.1
364.22992	1.7
367.13297	6.1
374.16281	2.6
385.14337	8.3
403.15143	3.3
411.16196	1.3
429.16440	1.5
442.15091	1.2
457.16394	3.7
459.17877	5.3
477.18884	8.0
487.17096	1.3
495.20166	1.4
497.13895	1.1
531.19751	2.7
532.19287	2.9
606.22736	5.0
616.17755	2.2
634.37366	4.9
652.38544	18.4
719.39551	8.8
737.40436	39.3
738.40710	2.1
755.41473	100.0
756.41888	5.7
791.41040	5.0
803.39783	2.1
809.42487	33.9
810.42969	1.9
848.44489	1.5
866.44659	12.3
867.42444	2.4
884.45740	96.6
885.45978	6.3
962.45465	1.4
1046.50269	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26164	0.1
57.85381	0.1
58.06601	5.3
59.07384	1.6
60.08165	52.2
61.08500	0.2
68.45637	0.1
69.03432	0.5
70.74981	0.4
81.63551	0.2
86.09695	0.2
86.22415	0.1
87.04475	0.7
104.10745	100.0
105.11076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00653	1.9
76.02231	45.4
76.03988	1.5
79.05072	1.4
79.05494	21.1
80.04993	3.1
81.03423	5.0
81.06593	1.5
81.07056	21.7
81.25317	0.8
83.04965	2.3
83.06104	8.4
83.08626	7.1
84.04043	1.4
84.04500	13.7
85.01116	4.3
85.02895	1.9
85.06508	1.0
86.00653	7.0
86.09705	1.3
86.99043	3.5
88.02228	4.4
91.05482	18.2
93.06478	1.5
93.07038	20.0
95.04957	5.0
95.08062	1.4
95.08606	16.5
96.04507	1.8
97.01118	4.4
97.02874	3.6
97.06526	2.0
97.10172	7.5
98.00648	1.1
98.06051	1.0
99.00804	1.5
99.05578	1.6
100.02191	1.3
102.03767	0.8
102.05547	1.7
105.04514	1.1
105.07035	10.8
106.06523	0.9
107.04961	6.7
107.06070	1.9
107.08592	12.9
108.04462	1.9
108.06867	0.9
109.02880	15.2
109.06497	1.4
109.10165	7.4
110.99026	9.5
111.02646	2.8
111.04435	1.8
111.08080	4.4
112.02171	1.6
112.03957	1.1
113.00565	1.6
113.05990	1.0
114.00118	31.4
114.03764	4.2
115.05447	1.1
116.01682	17.2
117.07035	4.6
119.08578	7.8
121.10134	6.7
123.02621	1.4
123.04406	2.4
123.11697	1.5
124.02161	3.1
124.11250	1.6
125.09633	8.0
126.03783	1.4
128.01656	1.5
128.06241	1.9
129.06555	6.1
130.04997	6.7
131.08565	5.0
133.04326	2.1
133.06433	1.2
133.10144	13.3
135.05493	1.2
135.08041	2.4
135.11690	4.8
136.03899	3.1
137.04173	1.1
137.05978	1.0
138.00092	3.5
138.03697	0.9
139.02107	0.8
139.03203	0.9
140.01642	2.1
141.00020	2.2
141.04814	4.9
142.03229	15.6
143.02747	3.6
143.08566	3.4
144.01151	9.1
145.06219	2.6
145.10114	3.2
146.02748	0.8
147.04420	1.4
147.07945	0.9
147.11633	2.6
149.09613	0.8
149.13257	1.0
151.02145	0.9
151.04152	1.0
151.11160	1.9
152.01645	1.3
153.06683	2.9
153.09158	4.0
155.01524	0.8
155.08134	0.8
156.01135	28.5
157.10129	1.2
159.11661	1.9
161.09624	13.1
161.13252	1.5
161.99971	0.7
162.02202	16.4
163.03902	0.7
163.11165	1.4
164.07088	1.1
165.08984	0.8
168.04820	2.0
170.02698	7.0
170.11801	5.6
171.08018	5.4
173.13293	1.3
179.04851	15.1
179.10638	7.4
181.06090	4.5
185.03822	4.9
186.07599	2.1
187.05373	11.1
188.03850	1.1
189.03256	2.1
189.09091	12.3
189.11118	2.2
191.08897	3.5
193.06360	4.0
199.07098	1.5
201.07365	1.2
206.11722	0.9
207.10170	9.1
208.06007	1.9
210.09480	1.7
211.07355	1.1
213.03293	6.7
215.04849	3.3
219.08354	2.2
225.11211	19.5
226.11713	1.0
227.04877	1.1
227.12827	2.8
229.06796	1.2
229.08940	10.2
231.04309	2.1
233.05904	16.1
236.11067	2.7
237.09460	6.5
239.07335	0.9
241.02768	1.9
245.05893	3.5
246.09523	1.0
254.12053	4.8
259.03876	1.3
261.22131	1.6
264.10519	11.0
265.08865	2.5
267.15826	1.6
281.13870	1.8
282.11584	24.8
292.09924	1.4
299.14832	2.0
300.12628	6.9
303.12793	1.1
308.09042	4.8
310.11157	8.4
311.14120	1.9
321.12625	1.8
322.10703	3.9
328.12042	6.2
331.12012	0.9
335.25815	33.7
336.26169	1.5
339.13745	8.2
356.15213	1.5
357.14545	3.1
364.23035	1.5
367.13232	6.5
374.16287	3.0
385.14355	7.7
392.17194	1.5
402.15497	1.0
403.15134	2.4
429.16824	1.8
441.17050	1.0
454.02673	0.8
457.16342	2.4
459.18051	5.8
469.16675	1.3
477.18942	5.4
495.19846	3.3
512.40765	0.8
527.37244	1.1
531.19812	1.8
532.19183	2.7
543.19861	1.8
549.21063	1.1
559.36163	1.1
606.22900	2.8
616.36536	1.2
624.23981	2.3
634.37384	5.6
652.38824	13.9
662.36432	1.6
719.39594	10.4
737.40344	45.4
738.40491	1.8
755.41425	86.6
756.41180	4.0
763.41162	1.0
791.41632	5.0
803.40710	2.2
809.42493	30.0
810.41797	1.1
826.76288	1.0
848.43414	2.1
866.44348	13.5
867.43195	2.0
884.45758	100.0
885.46716	3.7
962.45587	1.2
1046.50269	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	1032.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01159	0.4
74.00665	0.6
76.02227	47.9
76.03979	1.9
77.03922	0.5
79.05492	13.3
79.63913	0.3
80.05009	1.0
81.03418	24.4
81.07053	14.9
83.04982	1.8
83.06094	0.7
83.08620	5.3
84.03996	0.6
84.04504	11.7
85.02895	1.3
85.04029	0.9
85.06545	0.5
86.99052	2.0
88.02199	0.7
91.03954	0.7
91.04903	0.5
91.05480	10.8
93.07042	14.1
95.04961	8.1
95.08607	10.9
97.02874	1.4
97.06512	1.1
97.10172	1.1
98.00671	0.4
98.45651	0.3
99.08105	0.4
100.02173	0.3
103.05471	0.5
105.04530	0.4
105.07036	8.0
107.04958	2.6
107.08594	6.2
109.02909	0.4
109.06520	1.3
109.10149	4.8
109.50667	0.3
111.04492	0.4
111.08089	1.8
112.03948	0.4
113.03440	0.3
114.03767	0.5
115.05453	0.8
116.01676	14.5
117.07008	1.9
119.04974	0.4
119.08576	6.9
121.06511	1.0
121.09328	0.6
121.10145	6.3
123.04475	0.3
123.08028	0.6
123.11694	1.5
125.09628	0.8
126.05497	0.3
128.06219	0.7
129.07048	2.8
130.05011	7.9
131.04507	0.6
131.08568	5.2
133.06477	1.1
133.10118	3.5
135.08075	0.5
135.11707	2.9
137.09589	0.7
137.13310	0.5
141.04855	0.4
142.03224	5.7
142.07753	0.5
144.01147	8.5
145.06207	0.5
145.10123	3.1
147.08047	1.0
147.11690	3.3
149.09625	1.8
149.13271	2.0
157.10104	3.2
159.11679	1.9
161.13261	1.2
162.02202	25.3
163.11157	0.6
163.14795	1.0
165.12778	0.4
170.02704	2.7
171.11639	0.4
173.09517	0.3
173.13274	1.5
175.11205	2.5
175.14833	0.7
177.03203	2.0
179.04852	45.6
185.03801	0.6
185.13205	0.6
187.05370	1.4
187.14789	0.7
188.03777	0.3
189.11162	0.5
193.12241	5.8
211.13237	0.7
215.04878	2.4
216.03148	0.4
227.12788	0.6
231.04369	0.4
233.05907	13.8
243.21120	1.5
245.05920	2.5
249.14877	0.7
250.12479	0.4
261.22128	4.9
267.15912	23.6
268.16296	0.7
290.08005	1.0
291.06415	1.8
301.25134	0.7
308.09097	100.0
309.09399	1.9
309.16788	0.6
317.24753	1.0
333.24100	0.5
335.25787	23.9
336.26065	1.0
341.10187	0.5
421.25409	0.6
435.32565	0.8
452.13211	0.4
453.33624	1.5
470.14270	1.2
471.34567	0.7
527.37323	12.2
528.37262	0.7
545.30695	0.5
545.38446	7.6
546.37848	0.5
569.38782	0.7
635.38611	0.4
643.69360	0.4
656.41443	0.5
705.40948	0.6
707.67535	0.4
723.41492	0.6
834.45227	0.5
852.47162	2.4
1014.50214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42508	0.2
73.01147	0.4
74.00657	0.5
76.02228	47.7
76.03997	1.6
77.03919	0.6
79.05492	13.1
80.05010	1.2
81.03418	24.3
81.07054	15.0
83.04996	1.6
83.06110	1.0
83.08623	4.8
84.04501	11.8
85.02898	1.2
85.04025	1.5
85.06542	0.6
86.99046	2.4
88.02206	1.1
91.03941	0.4
91.04903	0.5
91.05479	10.6
92.01723	0.4
93.07043	12.3
95.04971	8.8
95.08606	10.3
97.01125	0.4
97.02872	1.1
97.06537	0.9
97.10174	1.5
99.05634	0.3
99.08103	0.3
100.02168	0.5
102.05509	0.3
105.04501	0.5
105.07032	6.9
107.04970	2.2
107.08590	5.7
109.02870	0.3
109.06522	1.2
109.10149	4.4
111.04432	0.7
111.08105	1.9
112.07615	3.2
113.03423	0.3
113.05994	0.8
114.03755	1.0
115.05427	0.5
116.01677	14.2
117.07018	2.1
119.08579	6.7
121.06483	1.1
121.10143	5.1
123.08065	1.1
123.11697	1.2
125.09637	0.9
128.06194	0.3
129.07054	2.8
130.05009	8.0
131.04588	1.0
131.08566	5.5
133.06459	0.8
133.10139	3.5
135.08006	0.5
135.11684	3.1
137.09592	0.7
137.13208	0.5
141.04819	0.7
142.03217	6.8
142.07744	0.9
143.08519	0.4
144.01147	8.4
145.06015	0.4
145.10120	2.8
146.02702	0.5
147.08043	1.2
147.11697	3.5
149.09657	1.6
149.13280	1.8
150.85828	0.3
151.11151	0.4
151.90706	0.3
157.10124	2.8
159.11703	1.7
161.13254	1.2
162.02202	28.4
163.11220	0.4
163.14803	0.8
165.12735	0.7
170.02689	2.2
173.13254	1.1
175.11160	2.7
175.14822	0.6
177.03304	2.3
177.12871	0.4
177.16331	0.3
179.04854	49.9
180.05064	0.5
185.03746	0.5
185.13219	0.5
187.05363	1.8
188.03793	0.6
189.11320	0.4
193.12239	7.1
199.05345	0.8
205.06398	0.4
211.13226	0.7
215.04840	2.3
216.03244	0.6
224.12808	0.7
227.12747	0.8
231.04472	0.3
233.05914	13.3
243.21056	1.4
245.05963	2.7
247.16850	0.4
249.14825	0.5
261.18225	0.3
261.19250	0.4
261.22119	4.9
267.15918	24.0
268.16345	0.5
284.15146	0.4
290.08035	1.5
291.06393	2.2
294.17023	0.4
301.14090	0.4
301.25174	0.7
306.07486	0.5
308.09100	100.0
309.09500	1.3
309.16953	0.4
317.24704	0.9
322.16492	0.4
335.25797	20.5
336.26016	0.8
435.32428	0.6
452.13336	0.5
453.33774	1.7
470.14252	0.9
471.34592	0.8
527.37299	10.1
528.37738	0.4
545.38440	6.4
620.39276	0.3
628.97076	0.3
656.40723	0.3
705.41119	0.5
722.40924	0.4
723.41016	1.2
834.44232	0.9
852.46747	2.0
870.46057	0.8
957.48767	0.4
1013.26703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03941	1.3
79.05492	19.0
81.03430	1.6
81.06589	1.4
81.07056	23.1
83.04948	0.8
83.08628	3.7
84.08152	3.5
85.06553	0.8
86.09716	2.0
91.05480	17.1
93.07040	19.9
95.04964	2.9
95.08604	18.2
97.02930	0.7
97.06514	1.4
97.10153	1.5
103.05491	1.3
105.03389	0.8
105.04498	1.0
105.07027	12.7
107.04943	2.1
107.08590	10.5
109.02847	0.7
109.06560	1.0
109.10148	6.0
115.05462	0.9
117.07003	4.8
119.04955	1.6
119.08573	10.0
121.02887	0.7
121.06503	1.3
121.10152	7.1
123.04425	55.0
123.08056	1.8
123.11710	2.2
128.06235	0.6
129.07013	1.9
130.07848	0.7
130.08655	3.8
131.04942	1.1
131.08569	4.8
133.06502	0.8
133.10110	7.2
133.60919	0.6
135.04428	2.1
135.08086	1.5
135.11697	5.0
137.02412	1.0
137.05995	1.6
139.03903	3.5
141.06995	0.8
143.08600	2.3
145.06525	0.8
145.10107	4.6
147.04410	6.0
147.08023	1.0
147.11690	5.3
148.05235	1.4
149.05983	2.0
149.13266	2.3
151.03900	6.5
153.05492	4.6
155.08572	1.2
157.10106	2.0
159.04442	1.9
159.08109	0.6
159.11719	2.8
161.05989	4.0
161.09720	0.9
161.13278	2.9
163.03896	9.3
163.07552	1.1
163.11188	1.0
165.05498	2.9
167.08531	0.7
171.04422	2.7
171.08014	0.7
171.10277	0.9
171.11755	2.0
173.04645	0.7
173.06036	2.3
173.13239	1.6
175.03909	20.1
175.07590	2.4
175.14922	1.2
176.04688	18.9
176.06111	1.3
177.05458	25.6
177.08957	0.8
179.07104	1.9
184.07303	2.0
185.06007	2.4
185.09630	0.7
185.13281	1.5
187.03899	8.9
187.07544	1.4
188.04706	1.1
189.05479	12.9
189.07077	1.1
189.67653	0.6
191.03412	1.0
191.07024	13.4
193.05008	0.8
197.05925	1.4
199.03979	3.1
199.07553	1.6
199.14888	0.8
200.04688	10.8
201.05463	19.9
201.08946	0.8
203.03462	2.7
203.07036	10.0
203.08763	1.0
205.04941	4.6
205.08560	1.6
211.03966	2.3
211.07449	1.2
213.05426	5.5
213.09091	2.2
214.06183	2.2
215.03496	1.9
215.07011	6.0
216.04192	0.9
217.05003	3.8
217.08592	2.3
219.06476	5.1
221.08034	0.8
225.05583	1.2
226.06261	0.8
227.06978	4.9
227.10686	0.8
227.12807	0.8
228.04251	2.1
228.07889	1.0
229.05002	2.5
229.08630	2.0
231.06532	1.3
231.10214	0.9
233.11705	0.8
235.07544	1.5
237.12762	1.0
239.07086	1.8
239.10739	1.0
241.04829	0.8
241.08708	2.0
241.12303	1.5
241.19740	0.8
243.06514	1.1
251.07121	2.7
252.07832	2.2
253.08696	2.1
255.10228	0.7
255.13831	1.7
257.11725	1.6
259.13202	1.1
259.20593	2.5
261.22275	1.6
263.07077	2.0
265.12067	1.6
267.10275	0.7
267.13757	0.8
269.11874	1.2
271.13315	2.2
273.14862	6.0
273.22131	3.1
279.06540	10.9
279.09802	0.9
280.07294	2.2
281.08240	0.9
283.06131	1.6
283.13290	9.6
285.14835	3.1
287.12820	1.3
289.14371	0.8
291.06635	1.1
293.08151	2.6
295.06149	2.3
295.09924	0.7
295.13449	2.2
297.14880	1.2
299.12787	4.3
301.14362	28.6
303.15866	4.6
305.08051	0.9
307.06085	1.5
307.09787	1.6
308.06763	29.8
309.07553	15.4
309.11111	1.3
309.14902	1.2
311.12708	3.8
313.14319	15.3
315.16025	1.0
317.13855	8.8
320.06750	0.9
321.07672	1.0
322.08517	1.1
323.09183	4.5
323.12860	2.3
325.14368	3.4
325.17941	0.8
327.16016	1.1
329.13821	15.7
331.15393	26.0
331.19241	1.4
333.07645	3.2
333.24365	3.1
335.09164	2.1
335.25790	34.7
336.26074	1.1
337.06982	1.0
337.14194	0.8
339.15875	2.3
341.13812	18.8
342.14429	1.0
343.15509	0.8
347.14908	4.3
347.25842	1.2
349.10599	0.8
351.08688	1.9
353.13705	3.7
355.15417	2.8
365.17688	0.8
367.15408	1.5
369.17001	1.6
373.16461	1.0
383.18729	1.4
385.16284	3.1
387.18143	1.2
391.17633	1.2
403.17685	5.0
405.19418	2.0
415.17776	0.9
417.17133	3.0
423.21848	0.9
433.16653	1.0
435.18091	5.6
435.24796	0.8
445.16498	5.4
447.18246	0.7
461.16034	2.2
463.17532	59.3
464.17981	2.3
465.19159	1.0
475.17493	0.9
479.17007	0.9
479.24518	1.0
481.18695	2.7
519.20496	4.5
519.26874	1.0
535.19867	1.0
537.21185	25.5
538.21484	1.5
541.28192	0.9
541.35822	1.1
543.36218	1.5
553.20654	1.3
555.22351	1.8
561.35547	0.9
571.34326	1.1
589.35358	7.2
597.30212	0.7
601.35510	1.1
607.36340	2.9
619.36395	1.4
625.37054	0.8
627.36993	0.8
631.37396	0.9
637.37299	1.8
645.37640	3.7
663.38910	72.9
664.39209	4.7
675.39496	4.7
681.39941	100.0
682.40308	6.4
687.38794	2.7
693.39789	1.4
705.39624	3.0
723.39642	1.1
729.40100	1.9
747.40894	1.1
762.55426	0.7
771.41248	0.8
779.40961	1.1
789.42017	1.5
797.42505	44.0
798.43109	3.0
807.42474	0.9
815.43616	51.7
816.43890	3.4
825.44263	1.9
839.42438	0.8
868.45074	0.8
924.80365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
73.37536	0.6
77.03953	2.7
79.05495	30.4
81.03409	1.9
81.07056	35.1
83.01329	1.0
83.04969	2.5
83.08617	4.9
84.08144	1.7
85.02908	1.0
86.09724	1.1
91.05481	25.5
93.07046	28.7
95.04958	4.4
95.08609	25.8
97.02894	0.9
97.06528	2.1
97.10176	2.7
99.08153	1.0
103.05490	1.6
105.03404	1.8
105.04559	1.4
105.07030	18.9
107.04990	1.5
107.08588	16.6
109.06545	1.6
109.10152	9.3
111.04451	1.0
111.08113	1.0
113.09671	0.7
115.05501	2.5
117.07030	7.9
117.56496	0.8
119.04948	0.9
119.08592	15.0
120.05711	0.9
121.02869	1.0
121.06516	1.8
121.10156	11.0
123.04433	68.7
123.08035	1.6
123.11717	2.7
125.00001	1.0
125.02341	1.0
125.09633	1.9
128.06172	1.2
129.07043	3.5
130.08632	0.9
130.89807	0.7
131.04950	1.4
131.08574	8.9
131.24947	0.8
133.06537	1.4
133.10139	11.4
134.03824	0.7
135.04451	2.4
135.08066	2.4
135.11714	6.6
137.02368	1.1
137.06020	2.7
139.03899	5.1
141.05545	0.9
141.07013	1.0
142.07855	0.7
143.08580	3.3
145.06516	2.2
145.10118	7.6
147.04428	5.9
147.08116	1.9
147.11688	7.1
148.05197	2.3
149.06006	2.9
149.09665	1.2
149.13284	3.1
151.03902	6.7
151.07660	1.8
153.05501	4.0
155.08594	1.0
157.06520	1.6
157.10191	2.2
159.04425	2.5
159.08136	1.1
159.11736	4.6
161.05995	5.4
161.09613	1.7
161.13318	5.3
163.03935	13.7
163.07579	1.9
163.11156	1.1
163.14844	0.8
165.05519	3.1
167.03500	0.9
167.07146	0.8
167.08557	1.4
169.10104	1.4
171.04442	3.8
171.11668	1.8
173.06038	2.8
173.09715	1.2
173.13295	2.8
175.03914	28.3
175.07497	4.4
175.14903	2.1
176.04704	24.0
177.05478	33.0
179.07085	2.4
181.06490	1.3
183.11685	0.9
184.07365	1.6
185.06044	2.7
185.13269	1.8
187.03911	13.4
187.05518	1.0
187.07623	3.1
187.14940	1.3
189.05469	18.0
189.09138	1.0
190.06197	1.1
191.03371	1.2
191.07028	16.7
193.05093	1.1
197.06050	2.3
199.03922	2.7
199.07559	2.4
199.09480	0.7
200.04678	14.7
201.05479	26.0
201.09155	1.3
202.06041	1.1
203.03419	3.0
203.07045	12.8
203.08749	0.9
205.04964	6.8
205.08618	1.8
207.06468	1.5
211.03976	1.8
211.07562	1.3
213.05466	7.9
213.09183	2.2
214.06297	3.0
215.03513	1.7
215.07005	6.8
217.05029	5.0
217.08536	3.9
219.06470	5.3
223.07596	1.7
225.05539	2.1
225.09114	1.4
226.06296	1.1
227.07005	5.9
228.04190	2.3
228.07726	1.4
229.05052	2.1
229.08647	3.6
231.06534	1.8
235.07617	2.5
237.05589	1.1
237.08994	0.8
239.07054	2.6
239.10625	1.1
241.05035	1.0
241.08646	2.9
241.12276	1.5
242.09186	0.8
243.06607	1.3
243.10138	2.4
245.11989	0.8
251.07158	2.7
252.07912	3.6
253.08611	2.3
255.10255	1.7
255.13849	1.7
257.11774	2.4
259.20551	4.0
261.22293	1.5
262.06165	1.1
263.07108	3.0
265.08801	1.4
265.12149	0.9
267.10266	1.2
269.11673	1.3
271.13409	2.9
273.14838	7.0
273.22226	3.4
279.06537	12.6
279.09540	1.2
280.07361	3.1
281.07916	1.6
281.11819	1.3
283.06137	2.5
283.13312	11.7
285.07758	1.5
285.14697	4.6
287.12872	1.4
289.14542	1.7
291.06723	1.1
291.23297	1.0
293.08105	2.5
293.11459	1.1
295.06107	2.4
295.13306	2.1
297.14853	2.7
299.12799	4.8
301.14355	36.2
303.15936	4.1
305.08411	1.1
307.06021	2.6
307.09778	0.8
307.13354	1.0
308.06775	32.3
308.10333	1.6
309.07559	19.1
311.09375	1.2
311.12790	4.0
311.16229	1.8
313.14334	18.8
314.14679	0.8
315.16174	1.0
317.13901	8.9
319.15756	0.9
321.07614	2.2
323.09235	5.7
323.12933	2.4
325.14233	3.7
327.16016	1.6
329.13824	17.8
329.17743	1.0
331.15421	25.8
331.19238	1.4
332.15787	1.3
333.07510	4.1
333.24216	4.9
335.09299	3.3
335.25800	52.0
337.07022	1.1
339.16046	2.4
341.13803	23.1
343.15503	1.7
347.14975	4.5
347.26013	1.2
353.13931	4.2
355.15491	3.1
357.16977	1.2
367.15485	1.7
369.17038	1.3
373.16580	0.8
381.16818	1.1
383.18729	1.9
385.16318	5.2
387.18118	2.1
391.17834	1.3
397.16486	0.8
403.17642	6.7
405.19177	3.5
415.17380	2.0
417.17050	2.5
421.18423	2.5
423.21823	1.4
433.16644	1.7
435.18076	4.3
435.25366	0.8
445.16525	4.7
461.15918	2.0
463.17542	53.0
464.17941	2.0
479.16705	0.9
481.18738	1.6
497.25266	0.8
501.19229	1.2
519.20398	3.8
525.21436	1.1
537.21222	25.7
543.35980	2.1
553.20471	1.8
559.29443	1.2
561.35822	1.4
571.34314	2.9
589.35303	9.0
607.36353	2.8
625.37335	1.0
635.39417	1.1
637.37311	2.1
645.38123	3.5
653.40582	1.7
663.38953	88.1
664.39111	6.1
675.38745	6.7
681.39966	100.0
682.40057	5.5
687.39069	3.3
693.39972	2.9
705.40436	3.5
721.42682	1.2
723.39526	1.9
729.40137	2.3
747.41040	2.4
771.41071	1.3
779.42426	1.3
789.42786	1.3
797.42590	58.7
798.42126	4.0
815.43665	54.3
816.44116	4.3
825.44165	1.0
839.43433	1.2
863.44153	0.9
868.46875	1.6
995.14252	0.9
1038.04187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08111	1.1
73.01070	0.9
74.00660	7.9
76.02151	22.2
76.03952	1.5
77.03867	1.1
79.05492	25.1
79.05913	1.7
80.05012	6.3
81.03419	7.4
81.05801	4.3
81.07052	24.9
81.07484	1.2
82.06505	1.3
83.04980	3.7
83.06098	7.6
83.08618	6.9
84.04501	18.0
85.01048	2.3
85.02813	2.7
85.06509	0.7
86.00578	2.6
86.09689	3.6
86.99039	3.1
87.02619	0.9
88.02201	3.9
91.05478	18.1
93.07042	23.3
93.07592	0.9
94.06499	1.6
95.04958	4.9
95.08607	16.8
96.04407	3.0
97.01112	12.7
97.02815	2.2
97.06445	2.4
97.10162	14.1
98.00633	12.4
98.05952	0.6
99.01377	1.3
99.02575	0.8
99.05490	2.2
99.08029	0.9
100.02109	2.7
102.05448	3.0
103.05396	1.4
105.04466	1.7
105.07033	10.1
106.06490	1.4
107.04950	4.5
107.05982	1.3
107.08585	14.7
108.04406	2.4
109.02814	0.9
109.06506	1.4
109.07584	1.5
109.10154	8.9
110.06003	1.5
111.02576	2.3
111.04373	1.6
111.07977	1.8
112.02182	10.2
112.03876	1.4
113.00588	11.1
114.03751	71.7
115.02064	0.7
115.05347	0.8
116.01673	18.5
117.07021	5.9
119.08582	8.2
120.08021	2.3
121.06477	0.8
121.10143	7.1
123.02590	1.4
123.04398	1.1
123.07973	2.1
123.11629	1.2
123.51576	0.6
124.02180	3.8
125.00562	1.1
125.09639	11.6
126.03644	2.5
126.05426	1.3
127.02051	1.3
129.06552	5.3
130.04999	10.3
130.07680	1.0
131.04460	0.9
131.08572	5.7
133.06369	0.7
133.10130	5.3
134.05920	1.5
135.02536	0.9
135.05508	1.1
135.08040	3.2
135.11678	5.4
136.02089	2.1
136.03928	6.1
136.07481	1.5
137.00488	2.1
137.09529	1.1
138.03648	2.0
139.02098	1.3
139.03163	2.3
140.01648	8.8
141.04704	3.1
142.03232	12.6
142.04935	1.5
142.07686	0.8
143.06284	1.1
143.08484	1.8
144.01163	3.9
145.06123	1.2
145.10120	5.0
146.02632	0.8
146.05872	0.9
147.02562	1.8
147.07933	1.7
147.11598	3.3
149.09499	1.1
149.13237	1.0
150.03627	1.3
151.02110	1.1
152.01563	0.8
152.05222	1.6
153.06564	3.5
153.09082	1.6
153.12636	2.5
154.04953	1.2
155.08205	1.3
157.10014	0.8
159.02193	0.9
159.11569	2.5
161.09541	2.5
161.13220	1.1
162.02191	14.7
163.05673	1.1
163.11156	4.9
169.04205	0.9
170.02705	6.6
170.11732	1.4
171.05855	6.8
171.07368	0.8
171.07939	1.1
171.10211	1.5
171.11549	1.0
173.09398	2.5
173.13158	1.0
175.05571	0.8
176.06976	0.6
176.14304	0.8
177.03270	1.3
177.07329	1.4
179.04858	12.7
179.08665	0.7
180.04707	1.5
181.06119	4.0
181.12180	0.7
184.07320	1.1
185.03827	6.9
186.07530	1.8
186.12743	0.8
187.05412	8.2
189.09485	0.9
189.11211	7.4
191.10599	2.4
193.06113	1.0
193.12161	2.0
195.08388	4.0
196.06079	0.8
198.05753	0.8
199.05255	0.9
199.06998	1.4
203.08844	0.9
204.08415	1.0
204.13751	1.4
205.06735	1.3
208.06004	2.3
209.11662	2.6
215.04828	4.6
216.03133	0.8
220.11504	2.8
220.13374	1.3
221.09822	1.0
222.09518	0.9
223.07881	5.1
224.10890	1.0
227.04680	0.8
227.12782	4.6
231.04387	7.9
231.08350	1.4
233.03801	1.1
233.05907	13.3
238.07098	1.4
238.12599	13.7
239.04764	0.8
240.10503	1.0
241.08942	0.8
243.04355	0.7
245.05931	4.4
248.11057	9.7
249.09447	3.4
252.10428	0.8
261.22034	0.9
266.12091	73.6
267.10043	1.2
267.12656	1.0
267.96817	0.8
278.11929	2.4
283.15289	1.5
284.10278	0.9
284.13174	12.6
290.07852	1.0
291.06464	1.5
294.11572	24.7
294.16647	0.9
295.14825	1.5
308.09131	13.8
312.12582	0.9
323.14154	6.2
332.13138	4.0
335.25800	34.1
336.25992	1.4
340.15887	7.1
341.15292	14.3
350.14270	1.3
351.13721	2.7
358.16891	4.8
368.15143	1.2
369.14755	6.7
378.13589	1.0
386.16241	3.8
387.15771	2.0
395.16385	3.6
397.17755	1.3
415.18887	1.7
423.15744	3.0
425.17365	6.3
435.16037	1.2
441.16785	1.6
443.18503	14.6
461.19592	8.2
469.19882	0.8
497.19510	1.5
509.19040	1.0
515.20459	2.0
516.20056	2.9
525.35492	0.7
527.20428	0.8
533.22406	0.8
543.36804	2.5
572.22327	0.9
590.23468	4.7
600.37189	3.1
608.24994	2.6
618.38135	23.0
619.38202	1.6
628.36957	2.4
636.38898	1.1
646.37671	11.3
675.39911	1.3
685.38989	1.0
703.39856	30.8
704.40918	0.9
721.40912	100.0
722.41693	6.1
729.42108	0.9
739.41455	4.0
757.41223	1.2
775.42206	6.7
787.41736	1.3
793.42975	20.0
794.43805	0.9
808.43475	0.8
814.43134	2.0
832.44293	3.2
850.45135	12.8
851.44043	2.4
868.46185	94.3
869.46277	6.5
910.47839	1.4
946.47064	1.9
955.48431	1.0
1030.51453	3.6
1063.46472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.5
77.41824	0.4
81.03410	2.1
84.08121	1.1
85.02892	0.6
86.09691	0.5
89.03900	1.4
91.05479	22.9
93.07036	0.4
95.04938	0.5
97.02858	0.6
98.20815	0.9
98.65405	0.5
103.05485	0.6
105.03410	0.8
105.07024	0.5
109.02865	1.1
109.10178	0.6
116.73006	0.4
117.03375	0.5
119.04939	29.1
120.08070	0.7
121.02859	0.6
127.03952	0.7
129.03377	0.7
129.10201	0.5
131.04898	0.5
132.02036	1.3
135.04408	2.2
136.05199	0.4
137.02338	1.1
145.02841	0.7
147.04407	25.3
149.02312	1.3
153.01813	6.8
157.03966	3.2
161.02374	1.9
164.04724	1.0
171.02852	1.2
175.03905	43.1
176.04428	0.6
177.05447	1.1
179.07050	2.3
192.04211	0.9
207.06522	98.9
208.06874	1.8
241.05019	1.0
275.12927	0.4
287.05493	100.0
288.05945	2.3
331.86746	0.5
351.10806	3.1
369.11920	3.9
610.50244	0.4
655.16223	1.5
931.28827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.6
53.03944	27.8
55.01862	1.9
60.02137	2.6
69.91914	4.3
77.03923	10.3
81.03407	2.5
88.01614	1.0
90.64171	0.8
95.04962	22.3
97.80973	0.7
102.01248	0.8
102.04700	4.4
103.04008	2.3
103.05466	100.0
104.05997	0.7
105.04514	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	1030.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08157	1.4
73.01151	1.3
74.00658	9.2
76.02222	30.8
76.04001	1.7
77.02544	1.2
78.01802	1.1
79.05490	29.1
80.05016	9.3
81.03410	9.6
81.05795	3.7
81.07053	30.3
82.06586	1.8
82.42979	0.8
83.04961	5.4
83.06109	7.7
83.08615	8.6
84.04504	23.3
85.01155	2.1
85.02893	2.4
85.06541	1.9
86.00658	3.7
86.09711	3.7
86.99045	3.7
87.02674	1.0
88.02213	4.3
91.05473	19.9
93.07040	25.8
94.06551	1.8
95.04961	6.6
95.08608	18.6
96.04492	2.5
97.01110	8.3
97.02876	2.7
97.06515	2.2
97.10168	17.4
98.00013	1.0
98.00638	15.4
98.06042	1.3
99.01439	1.2
99.05577	2.4
100.02195	3.1
102.05518	3.4
105.07033	11.5
106.06525	2.4
107.04962	3.6
107.06094	1.3
107.08595	16.3
108.04490	2.7
109.06515	1.7
109.07633	1.5
109.10157	10.1
110.06055	1.3
111.02623	1.5
111.04410	1.9
111.08080	2.3
112.02191	12.2
112.03948	1.6
113.00594	11.9
113.02975	1.7
114.03748	99.6
115.04115	1.3
115.05442	1.3
116.01670	22.0
117.07008	5.9
119.08581	7.3
120.08109	1.1
121.10140	9.7
123.02620	1.2
123.08041	1.6
123.11713	1.8
124.02166	3.8
124.11238	1.6
125.00610	1.2
125.09646	15.2
125.10551	1.3
126.03718	4.0
126.05486	1.0
127.02085	0.9
129.06502	6.2
130.05003	11.8
130.69516	0.8
131.08574	8.4
133.10121	5.4
134.06013	0.9
135.05544	2.0
135.08072	4.9
135.11679	7.0
136.02193	1.9
136.03958	6.3
136.07524	0.8
137.04236	1.3
138.03693	1.4
139.02126	2.1
139.03209	2.3
140.01656	10.5
141.04825	3.2
141.06680	1.2
142.03226	14.7
143.06407	1.7
143.08563	1.8
144.01151	6.3
145.10124	6.8
146.02750	1.7
147.02704	1.0
147.11688	3.2
149.09642	2.0
149.13251	1.8
151.11159	1.0
152.05249	2.0
153.06607	3.1
153.09135	2.1
153.12711	1.9
154.03151	1.5
155.08261	1.8
157.10228	1.2
159.02237	0.9
159.11671	1.9
161.09639	1.3
161.13251	1.6
162.02203	16.1
163.02533	1.0
163.11176	8.4
169.04292	1.7
170.02728	6.1
170.11800	1.5
171.05826	7.4
171.10133	1.5
173.09547	2.1
177.03314	1.0
177.07413	1.0
179.04843	16.2
180.04829	2.0
181.06035	4.6
184.07373	4.1
185.03799	6.2
187.05351	9.1
189.09105	1.4
189.09453	1.5
189.11208	9.4
191.02905	0.9
191.10683	3.1
193.12210	2.2
195.08327	4.8
198.05815	1.2
199.05360	1.7
199.07104	1.5
204.13837	1.2
205.06773	1.0
208.06058	1.6
209.11705	2.4
211.07291	1.3
211.13226	1.1
215.04858	5.8
217.06444	3.8
220.11537	2.0
221.09933	1.1
223.07912	4.3
227.04735	2.2
227.12781	6.7
231.04359	7.8
231.08331	1.0
232.13374	1.2
233.05905	13.3
238.07112	2.1
238.12578	13.9
239.04857	1.2
240.10559	1.2
241.08795	2.1
245.05888	3.5
248.11057	8.4
249.09462	4.5
252.10504	1.0
261.22144	1.6
264.42029	0.9
266.12088	92.9
267.10449	1.5
278.12073	3.6
283.15347	1.8
284.13123	14.8
286.81845	1.0
291.06567	2.6
294.11551	34.4
295.14780	2.0
306.11731	1.1
308.05905	1.6
308.09143	14.7
312.12598	2.7
323.14185	8.9
332.13168	5.7
333.24197	1.1
335.25809	31.8
336.26447	1.3
340.15759	9.0
341.15292	18.6
349.15912	1.6
350.14288	2.6
351.13766	2.3
358.16772	2.2
360.12720	1.0
368.15216	2.8
369.14786	11.2
378.13837	1.4
386.16254	5.0
387.15704	2.7
395.16336	6.0
397.17950	1.5
415.18951	1.0
423.15808	3.0
425.17435	8.5
435.15805	1.4
441.16791	1.7
443.18454	21.1
453.17169	1.3
459.18256	1.0
461.19748	5.0
515.19513	1.0
516.20020	4.6
543.36792	2.5
554.21136	2.0
572.22382	1.7
572.34705	1.1
590.23529	4.1
600.37482	1.7
601.35413	0.9
608.24817	1.7
618.38202	25.6
619.37598	1.1
628.36243	1.4
636.40479	1.0
646.37762	15.2
675.40222	1.4
703.39825	27.8
704.39532	2.0
721.40906	94.8
722.40924	5.4
729.40308	1.2
739.42010	6.1
757.40033	1.8
775.41693	6.2
787.41534	1.4
793.42993	18.9
814.42883	2.1
832.44189	4.8
850.45105	12.3
851.43927	2.5
868.46198	100.0
869.46533	5.2
946.45746	1.1
955.48511	1.2
1030.51941	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	1016.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04971	1.3
71.07355	2.2
76.02226	31.8
76.03996	2.1
79.05492	28.7
80.05022	3.3
81.03402	3.8
81.05807	1.7
81.06593	2.1
81.07056	39.4
82.06581	1.7
83.04977	2.7
83.06098	5.5
83.08604	8.9
84.04505	13.2
85.01122	1.4
85.02897	1.5
85.06544	2.4
86.00648	6.9
86.09702	13.8
86.99067	5.3
87.02682	1.8
88.02196	5.3
91.05479	20.5
93.07044	32.3
94.06567	3.8
95.04958	4.3
95.08000	1.4
95.08600	21.5
96.04494	1.4
96.08120	1.2
97.01128	12.4
97.02891	1.7
97.06556	5.3
97.10157	1.7
98.98459	2.2
99.02683	3.4
99.05517	1.4
102.05540	5.3
104.10750	2.1
105.07032	11.6
106.06544	2.1
107.04977	1.4
107.08598	16.4
108.04508	1.4
109.06499	2.2
109.10148	6.5
111.02664	16.6
111.08076	1.6
112.02171	1.4
114.03781	4.9
116.01680	25.8
117.07022	6.4
119.08580	7.7
120.08106	1.4
121.10135	10.6
123.02675	2.1
123.08087	1.8
123.11736	3.0
124.99998	11.8
126.03732	1.5
126.50291	1.0
129.06520	6.7
130.05023	7.1
130.08705	1.4
131.08572	12.1
133.10110	11.1
135.11684	9.4
136.03918	3.6
137.04190	5.9
141.04819	1.9
142.03215	11.9
143.02744	2.1
144.01137	10.3
145.06065	1.2
145.10094	3.8
147.11688	4.8
149.04192	1.9
149.09599	2.2
149.13246	10.4
151.05785	2.2
151.11154	2.2
153.06523	2.0
157.10020	1.1
159.11668	7.5
161.04129	1.3
161.13280	1.4
162.02200	23.8
170.02739	3.9
173.13249	3.7
177.12701	6.4
179.04848	25.4
181.06035	1.9
183.11700	1.4
184.07335	43.8
187.05380	4.3
189.03290	1.6
190.15900	1.2
194.15312	1.4
195.13818	3.7
201.12674	1.2
204.08777	1.2
206.15456	1.8
207.12093	1.9
208.06090	1.4
209.09955	1.2
212.16476	1.5
215.04893	4.3
217.10471	3.4
218.15422	2.6
224.14648	1.8
225.13074	1.3
226.12579	2.7
233.05870	6.0
235.11528	6.0
237.13049	1.6
245.05904	4.1
252.14125	18.3
253.12524	2.3
261.22067	1.6
267.15945	1.7
269.17542	7.0
270.15222	10.5
280.13611	1.6
289.04892	1.8
291.19592	4.3
298.14774	2.5
308.09097	14.8
326.17804	2.6
327.17172	1.1
335.25824	25.7
344.19226	2.3
355.16931	2.5
365.23129	2.1
373.17838	1.4
399.19547	1.8
418.88425	1.3
429.20657	2.8
445.19708	1.3
447.21548	4.6
502.22055	4.0
519.23975	1.6
529.38940	9.8
559.35883	3.6
576.25720	1.3
594.26324	1.4
604.40320	12.8
622.41266	3.3
632.39001	1.7
639.42474	1.5
689.41956	4.5
707.42969	100.0
708.43469	6.8
725.32269	1.8
725.44092	22.0
726.43127	1.5
761.42963	2.9
779.45135	22.0
780.45465	1.8
818.45508	4.1
836.47430	11.3
837.45575	1.3
854.48236	69.2
855.48138	4.9
998.50201	5.6
1016.52881	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	1014.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04970	1.0
71.49929	0.7
76.02224	36.2
76.04000	1.7
79.05492	7.3
80.05026	1.0
81.03413	37.1
81.07051	7.2
83.04974	3.0
83.08154	0.7
83.08615	8.5
84.04498	10.2
84.08117	0.9
85.02893	1.7
85.04007	1.8
85.06544	0.7
86.09698	1.1
86.99044	1.7
88.02234	0.5
91.05475	10.3
92.01693	0.6
93.07027	4.8
95.04377	0.7
95.04961	12.6
95.08583	2.6
97.01134	0.6
97.02869	2.3
97.06541	1.0
97.10164	1.7
102.05509	0.7
105.07021	6.3
107.04950	4.8
107.08586	2.8
109.02827	0.6
109.06483	3.1
109.10127	1.5
111.08100	3.4
113.03439	0.5
115.05428	0.9
116.01675	11.3
117.06990	1.7
119.04945	1.5
119.08585	6.8
121.06482	2.4
121.08981	0.4
121.09263	0.5
121.10122	3.9
123.04391	1.2
123.08080	1.1
125.09614	1.4
127.03906	0.9
129.06995	4.5
130.04988	8.4
131.04529	0.8
131.08562	3.7
133.06479	2.1
133.10110	3.3
133.42453	0.6
135.08072	1.1
136.07556	0.8
137.05936	0.6
141.04848	0.6
142.03217	5.8
142.07745	1.0
143.08595	0.5
144.01143	6.5
145.10132	0.9
147.04402	1.4
147.08057	2.0
147.11679	4.4
149.09634	3.2
151.03882	0.6
153.09090	0.6
157.06526	0.5
157.10110	6.6
161.05933	0.5
162.02200	21.9
163.11185	0.7
165.12724	1.5
170.02689	2.1
171.08043	0.7
175.03854	0.7
175.11188	5.6
177.03252	3.7
177.05479	1.2
179.04848	35.0
185.03757	0.5
187.05348	1.3
193.12242	16.5
207.06622	0.8
211.13251	0.8
215.04863	1.2
219.13829	0.7
231.04378	1.1
233.05882	11.0
245.00064	0.6
245.05873	2.2
249.14810	1.3
267.15897	48.4
268.16269	1.2
273.05438	0.7
280.48926	0.6
290.07806	1.0
291.06522	1.2
308.09085	100.0
309.09351	1.6
367.22723	1.1
385.23663	1.8
452.13074	0.8
459.27414	21.9
459.33923	1.0
460.27585	1.3
470.14362	1.7
477.28516	5.7
501.28345	1.8
567.29413	0.6
611.02942	0.6
637.31165	1.5
639.96021	0.6
655.32660	1.3
708.29932	0.6
722.49567	0.7
756.29980	0.5
766.34906	1.4
784.36841	5.1
946.42047	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29898	1.9
56.96558	4.6
58.96162	4.4
71.24664	3.2
74.79008	1.9
82.99850	9.8
83.01500	11.7
101.00886	66.8
101.02549	19.5
119.01929	100.0
119.03658	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	1010.6259
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08630	8.0
71.50235	1.0
73.02896	1.4
79.05494	9.9
81.03421	2.4
81.07057	19.0
83.04966	1.6
83.08620	9.2
85.02918	4.4
85.10181	7.0
88.07638	1.0
89.06034	1.2
91.03938	2.0
91.05486	12.5
93.07046	16.5
95.04955	2.7
95.08606	19.7
97.02886	3.6
97.06538	5.9
97.10172	10.1
105.07025	8.3
107.04955	1.5
107.08594	10.8
109.06524	6.9
109.10158	37.1
111.08046	2.5
115.05515	1.2
117.07020	5.8
119.08585	13.5
121.06496	2.1
121.10123	3.5
123.08069	14.3
123.11702	1.0
125.09628	6.9
127.03923	1.1
129.06999	4.1
131.04901	1.0
131.08536	6.6
133.06450	3.0
133.10114	6.6
135.08051	3.8
135.11691	1.6
137.09615	13.3
137.13246	1.3
139.07552	1.0
141.06940	1.6
143.08531	4.1
145.05000	1.0
145.06514	1.5
145.10106	9.3
147.08023	2.9
147.11688	4.2
149.09589	3.2
151.07524	2.7
151.11127	1.2
155.08553	2.6
157.06516	0.8
157.10147	5.6
159.08064	5.5
159.11667	3.4
161.09660	5.0
161.10754	0.9
161.13319	1.5
163.11148	2.7
165.12785	1.0
169.10121	3.1
171.08020	1.0
171.11607	1.4
173.09624	33.0
173.13255	1.2
175.11176	2.4
177.09125	1.0
179.08409	0.8
183.11688	2.0
185.09573	1.1
187.11206	2.8
189.09096	1.4
189.11208	3.0
191.10631	1.0
193.12167	1.3
195.11931	0.9
197.09573	0.9
199.11069	1.2
199.14755	1.4
206.79358	0.8
208.53096	0.8
215.17946	2.7
217.15813	2.6
221.15419	2.4
225.16313	2.4
227.12723	7.9
235.16856	1.4
239.16449	3.6
239.23659	2.0
243.17412	6.8
245.15367	3.4
253.15863	3.2
257.24551	1.2
261.18433	7.9
263.16428	10.2
267.15927	0.9
271.16946	13.9
289.17987	17.7
307.19031	6.9
313.27368	63.3
314.27695	1.5
319.18948	1.1
335.22073	2.9
337.20096	2.5
342.29880	1.0
345.20599	12.0
363.21625	15.7
381.22720	17.3
382.23560	1.3
391.74731	0.9
471.40726	0.9
483.36429	2.3
573.45300	7.7
575.42932	7.5
583.43475	6.9
591.45752	1.3
593.44220	7.7
601.44586	36.8
602.44861	1.9
619.45673	100.0
620.45966	3.8
637.38153	1.1
637.46783	13.1
763.49249	2.6
781.50787	9.2
935.55371	1.2
END